smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001731584 536353759 /nfs/dbraw/zinc/35/37/59/536353759.db2.gz SNXMQJGTZHNPCN-MRXNPFEDSA-N 1 0 358.938 5.817 10 0 FKAERO Clc1ccc(C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 ZINC000001921263 210076760 /nfs/dbraw/zinc/07/67/60/210076760.db2.gz JKEBWXYEOPLXGU-UHFFFAOYSA-N 1 0 372.319 5.524 10 0 FKAERO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)cc(Cl)c21 ZINC000002042278 210227962 /nfs/dbraw/zinc/22/79/62/210227962.db2.gz HKRWSMQLFBBOGZ-CYBMUJFWSA-N 1 0 354.325 5.464 10 0 FKAERO CC/C(=C(/c1ccccc1)c1ccc(OCC[NH2+]C)cc1)c1ccccc1 ZINC000002528487 263145460 /nfs/dbraw/zinc/14/54/60/263145460.db2.gz NYDCDZSEEAUOHN-OCOZRVBESA-N 1 0 357.497 5.654 10 0 FKAERO Clc1ccc(-c2c[n+]3ccccc3n2Cc2ccccc2)cc1Cl ZINC000003251706 219495740 /nfs/dbraw/zinc/49/57/40/219495740.db2.gz NTPLDLZGRAOWCT-UHFFFAOYSA-N 1 0 354.260 5.249 10 0 FKAERO Clc1ccc2c(c1)OCCC(C[NH+]1CCCCC1)=C2c1ccccc1 ZINC000003603786 210227842 /nfs/dbraw/zinc/22/78/42/210227842.db2.gz LRHKEXUSIFDRFW-UHFFFAOYSA-N 1 0 353.893 5.410 10 0 FKAERO CC[N+](CC)(CCSC(=O)/C=C/c1ccccc1)Cc1ccccc1 ZINC000003652706 717096818 /nfs/dbraw/zinc/09/68/18/717096818.db2.gz WVNQKSIAKRFZLN-FOCLMDBBSA-N 1 0 354.539 5.016 10 0 FKAERO C[NH+]1CCC([C@@H]2Oc3ccc(F)cc3Sc3ccc(Cl)cc32)CC1 ZINC000004128096 219546229 /nfs/dbraw/zinc/54/62/29/219546229.db2.gz BUIDXHSDSWIKTB-IBGZPJMESA-N 1 0 363.885 5.406 10 0 FKAERO CCCC(=O)c1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1S2 ZINC000004215169 132386571 /nfs/dbraw/zinc/38/65/71/132386571.db2.gz GRVZGPLWLJJPKF-UHFFFAOYSA-N 1 0 354.519 5.224 10 0 FKAERO c1ccc(SCCC[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000004217577 207007970 /nfs/dbraw/zinc/00/79/70/207007970.db2.gz NUWWGCMQIKROIJ-UHFFFAOYSA-N 1 0 361.554 5.981 10 0 in-man FKAERO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000004321666 219565639 /nfs/dbraw/zinc/56/56/39/219565639.db2.gz UESVZIGYWSMKFB-XANCMCCPSA-N 1 0 368.565 5.157 10 0 FKAERO Clc1ccc2[nH+]c(CCc3ccccc3)c(NCc3ccccc3)n2c1 ZINC000004382391 570766608 /nfs/dbraw/zinc/76/66/08/570766608.db2.gz JUVNAQMTBKPHHT-UHFFFAOYSA-N 1 0 361.876 5.385 10 0 FKAERO COc1ccc(CNc2[nH+]cc(-c3ccc(F)cc3)n2C)c2ccccc12 ZINC000004678440 207037297 /nfs/dbraw/zinc/03/72/97/207037297.db2.gz SFFVPSXFJCQJCA-UHFFFAOYSA-N 1 0 361.420 5.000 10 0 FKAERO CC(C)N1c2ccccc2C=C/C1=C\c1cc[n+](C(C)C)c2ccccc12 ZINC000005138423 132377620 /nfs/dbraw/zinc/37/76/20/132377620.db2.gz TYFOKKOWQOKKCH-UHFFFAOYSA-N 1 0 355.505 5.991 10 0 in-vitro FKAERO CC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccccc1 ZINC000005283765 207091790 /nfs/dbraw/zinc/09/17/90/207091790.db2.gz SYUQRUPEUMQGGF-UHFFFAOYSA-N 1 0 350.441 5.500 10 0 FKAERO CC(C)[n+]1c2c(c(-c3ccccc3)cc1-c1ccccc1)Cc1ccccc1-2 ZINC000005285143 207091267 /nfs/dbraw/zinc/09/12/67/207091267.db2.gz QTVSNBDDKYASOI-UHFFFAOYSA-N 1 0 362.496 6.460 10 0 FKAERO C[n+]1c2c(c(-c3ccccc3)c3c1C(C)(C)CCC3)CCc1ccccc1-2 ZINC000005303064 207092403 /nfs/dbraw/zinc/09/24/03/207092403.db2.gz WOLSCRCDUZPWLD-UHFFFAOYSA-N 1 0 354.517 5.558 10 0 FKAERO CCCC[n+]1c(C(=O)OCC)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000005310279 207092964 /nfs/dbraw/zinc/09/29/64/207092964.db2.gz RNKXTSOPJONWJO-UHFFFAOYSA-N 1 0 360.477 5.285 10 0 FKAERO COc1ccc(-c2cc3n(c2)c2ccccc2n3CC[NH+]2CCCCC2)cc1 ZINC000005330239 204203103 /nfs/dbraw/zinc/20/31/03/204203103.db2.gz KRSNXZNOGWOVPW-UHFFFAOYSA-N 1 0 373.500 5.056 10 0 FKAERO CCOC(C[n+]1c(-c2ccccc2)cc(C)cc1-c1ccccc1)OCC ZINC000005334199 204203109 /nfs/dbraw/zinc/20/31/09/204203109.db2.gz AYLNRJRHSOKRKU-UHFFFAOYSA-N 1 0 362.493 5.016 10 0 FKAERO CCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(C)cc1 ZINC000005341493 207095065 /nfs/dbraw/zinc/09/50/65/207095065.db2.gz KKKIUQJAROFLSS-UHFFFAOYSA-N 1 0 350.485 6.168 10 0 FKAERO COc1ccc(C[n+]2ccc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000005359946 207096109 /nfs/dbraw/zinc/09/61/09/207096109.db2.gz FPGOHBAEIKTJOX-UHFFFAOYSA-N 1 0 352.457 5.365 10 0 FKAERO C[C@@H]1C[n+]2c(-c3ccccc3)cc(-c3ccccc3)c3c2-c2c(cccc21)CC3 ZINC000005370007 204205751 /nfs/dbraw/zinc/20/57/51/204205751.db2.gz LHDIJIJXELMQJO-LJQANCHMSA-N 1 0 374.507 6.191 10 0 FKAERO C[C@@H](O)C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000005371554 204205467 /nfs/dbraw/zinc/20/54/67/204205467.db2.gz HOEXQFSKTQPSOY-HXUWFJFHSA-N 1 0 366.484 5.356 10 0 FKAERO C[C@H]1C[n+]2c(-c3ccccc3)cc(-c3ccccc3)c3c2-c2c(cccc21)CC3 ZINC000005377041 219674884 /nfs/dbraw/zinc/67/48/84/219674884.db2.gz LHDIJIJXELMQJO-IBGZPJMESA-N 1 0 374.507 6.191 10 0 FKAERO C[n+]1c2c(c(-c3ccccc3)c3c1-c1ccccc1CC3)CCc1ccccc1-2 ZINC000005377815 210618401 /nfs/dbraw/zinc/61/84/01/210618401.db2.gz LWJJEDBYKCLFNZ-UHFFFAOYSA-N 1 0 374.507 5.709 10 0 FKAERO Cc1cc(-c2ccccc2)c2c([n+]1Cc1ccccc1)-c1ccccc1CC2 ZINC000005378902 207097107 /nfs/dbraw/zinc/09/71/07/207097107.db2.gz BTOCVKGKBCOARX-UHFFFAOYSA-N 1 0 362.496 5.763 10 0 FKAERO c1ccc([C@H]([NH2+][C@@H](c2ccccc2)C2CCCCC2)C2CCCCC2)cc1 ZINC000005486656 207102203 /nfs/dbraw/zinc/10/22/03/207102203.db2.gz RZCBFIILRIQYHW-UIOOFZCWSA-N 1 0 361.573 7.219 10 0 FKAERO c1ccc([C@@H]([NH2+][C@H](c2ccccc2)C2CCCCC2)C2CCCCC2)cc1 ZINC000005489094 207103088 /nfs/dbraw/zinc/10/30/88/207103088.db2.gz RZCBFIILRIQYHW-CLJLJLNGSA-N 1 0 361.573 7.219 10 0 FKAERO c1ccc(-[n+]2c3c(cc4c2-c2ccccc2CC4)CCc2ccccc2-3)cc1 ZINC000005490234 207103082 /nfs/dbraw/zinc/10/30/82/207103082.db2.gz KPCCYQAHDZNVOL-UHFFFAOYSA-N 1 0 360.480 5.495 10 0 FKAERO Clc1ccccc1C[n+]1ccc(-c2ccccc2)cc1-c1ccccc1 ZINC000005490974 207103044 /nfs/dbraw/zinc/10/30/44/207103044.db2.gz GYXSLLWCCBMGME-UHFFFAOYSA-N 1 0 356.876 6.010 10 0 FKAERO CCCCCOc1ccc(NC(=O)O[C@@H]2CCCC[C@H]2[NH+]2CCCC2)cc1 ZINC000005513031 219685507 /nfs/dbraw/zinc/68/55/07/219685507.db2.gz DWTMSFIDQGVYNQ-NHCUHLMSSA-N 1 0 374.525 5.211 10 0 FKAERO CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](C)CC1 ZINC000005550861 207105307 /nfs/dbraw/zinc/10/53/07/207105307.db2.gz HOQSLFZFFMMYMC-SJORKVTESA-N 1 0 371.565 5.972 10 0 FKAERO CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](C)CC1 ZINC000005551224 204214534 /nfs/dbraw/zinc/21/45/34/204214534.db2.gz HOQSLFZFFMMYMC-DLBZAZTESA-N 1 0 371.565 5.972 10 0 FKAERO CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](C)CC1 ZINC000005551251 204214334 /nfs/dbraw/zinc/21/43/34/204214334.db2.gz HOQSLFZFFMMYMC-IRXDYDNUSA-N 1 0 371.565 5.972 10 0 FKAERO CC[C@@H](C)[N@@H+](C[C@H](O)c1cccn1Cc1ccccc1Cl)[C@@H](C)CC ZINC000005599001 207107499 /nfs/dbraw/zinc/10/74/99/207107499.db2.gz ZILPIBYANAFGMS-FVJLSDCUSA-N 1 0 362.945 5.122 10 0 in-man FKAERO CC[C@H](C)[NH+](C[C@H](O)c1cccn1Cc1ccccc1Cl)[C@@H](C)CC ZINC000005599258 219691044 /nfs/dbraw/zinc/69/10/44/219691044.db2.gz ZILPIBYANAFGMS-FIKGOQFSSA-N 1 0 362.945 5.122 10 0 in-man FKAERO CC(C)CCCCCCCCCCCCCCC(=O)NCCC[NH+](C)C ZINC000005757988 204224348 /nfs/dbraw/zinc/22/43/48/204224348.db2.gz NZXVYLJKFYSEPO-UHFFFAOYSA-N 1 0 368.650 6.172 10 0 FKAERO CCCC[C@@H](CC)C[N@@H+](C[C@@H](CC)CCCC)Cn1nnc2ccccc21 ZINC000005821756 204227528 /nfs/dbraw/zinc/22/75/28/204227528.db2.gz OKQVTLCUHATGDD-OYRHEFFESA-N 1 0 372.601 6.124 10 0 FKAERO CCCC[C@@H](CC)C[NH+](C[C@H](CC)CCCC)Cn1nnc2ccccc21 ZINC000005821758 219701284 /nfs/dbraw/zinc/70/12/84/219701284.db2.gz OKQVTLCUHATGDD-NHCUHLMSSA-N 1 0 372.601 6.124 10 0 FKAERO C[C@](OCC[NH+]1CCCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000006067238 207128201 /nfs/dbraw/zinc/12/82/01/207128201.db2.gz UTJCUSNUTZBJBU-QHCPKHFHSA-N 1 0 371.952 5.886 10 0 in-man FKAERO Clc1cccc(Cl)c1OCCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006719322 204262394 /nfs/dbraw/zinc/26/23/94/204262394.db2.gz HEVDIZXZUJELDS-GOSISDBHSA-N 1 0 365.304 5.385 10 0 FKAERO c1ccc(-c2c(C[NH+]3CCC(c4ccccc4)CC3)[nH]c3ccccc32)cc1 ZINC000006733375 219763954 /nfs/dbraw/zinc/76/39/54/219763954.db2.gz GCNHAGOBNXXNMR-UHFFFAOYSA-N 1 0 366.508 6.215 10 0 FKAERO CC(C)n1ncc2c1[NH+]=C(c1ccccc1)N(C1CC1)[C@H]2c1ccccc1 ZINC000007778766 571288580 /nfs/dbraw/zinc/28/85/80/571288580.db2.gz VGTTUDTUUYVTFV-NRFANRHFSA-N 1 0 356.473 5.110 10 0 FKAERO CC(C)n1ncc2c1[NH+]=C(c1ccccc1)N(C1CC1)[C@@H]2c1ccccc1 ZINC000007778767 207205834 /nfs/dbraw/zinc/20/58/34/207205834.db2.gz VGTTUDTUUYVTFV-OAQYLSRUSA-N 1 0 356.473 5.110 10 0 FKAERO CCc1c(C)sc2c1CC[N@H+](Cc1cccc(F)c1)[C@@H]2c1ccccc1 ZINC000008609016 207239263 /nfs/dbraw/zinc/23/92/63/207239263.db2.gz KMGQLIFPFJQGFK-JOCHJYFZSA-N 1 0 365.517 5.906 10 0 FKAERO CCc1c(C)sc2c1CC[N@H+](Cc1cccc(F)c1)[C@H]2c1ccccc1 ZINC000008609017 204336895 /nfs/dbraw/zinc/33/68/95/204336895.db2.gz KMGQLIFPFJQGFK-QFIPXVFZSA-N 1 0 365.517 5.906 10 0 FKAERO CCc1ccc(-c2nc3ccccn3c2C[NH2+]Cc2ccccc2C)cc1 ZINC000009740863 204381477 /nfs/dbraw/zinc/38/14/77/204381477.db2.gz PZBPWQHKFLUHKC-UHFFFAOYSA-N 1 0 355.485 5.162 10 0 FKAERO Brc1ccc(C[NH+](C2CCCCC2)C2CCCCC2)cc1 ZINC000009996528 206248555 /nfs/dbraw/zinc/24/85/55/206248555.db2.gz VDHOQUHTINAPPV-UHFFFAOYSA-N 1 0 350.344 5.917 10 0 FKAERO Cc1cc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)oc1C ZINC000011816306 210896534 /nfs/dbraw/zinc/89/65/34/210896534.db2.gz QJWHIWQXZQFEKL-HXUWFJFHSA-N 1 0 367.468 5.025 10 0 FKAERO COCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2C(C)(C)C)o1 ZINC000011818734 210101668 /nfs/dbraw/zinc/10/16/68/210101668.db2.gz SGVCRRJGTCFHLJ-OAQYLSRUSA-N 1 0 352.478 5.053 10 0 FKAERO CC(C)c1nc2cccnc2n1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000011842008 207325329 /nfs/dbraw/zinc/32/53/29/207325329.db2.gz JFHIHNGNSCXQNE-UHFFFAOYSA-N 1 0 368.912 5.045 10 0 FKAERO Cc1sc(-c2ccc(C[NH3+])cc2)nc1-c1ccc(Br)cc1 ZINC000011887158 209559952 /nfs/dbraw/zinc/55/99/52/209559952.db2.gz KTCDQQOPDLQUQO-UHFFFAOYSA-N 1 0 359.292 5.007 10 0 FKAERO Cc1sc(-c2cccc(C[NH3+])c2)nc1-c1ccc(Br)cc1 ZINC000011887161 206286519 /nfs/dbraw/zinc/28/65/19/206286519.db2.gz AJRUMVZDWJQGAX-UHFFFAOYSA-N 1 0 359.292 5.007 10 0 FKAERO FC(F)(F)c1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000012099417 570718204 /nfs/dbraw/zinc/71/82/04/570718204.db2.gz MLDULPJYWRJOFG-OAHLLOKOSA-N 1 0 363.427 5.218 10 0 FKAERO FC(F)(F)c1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000012099418 570717945 /nfs/dbraw/zinc/71/79/45/570717945.db2.gz MLDULPJYWRJOFG-HNNXBMFYSA-N 1 0 363.427 5.218 10 0 FKAERO CC1=C(CC[N@@H+]2CCC[C@@H](CCC(=O)N3CCCC3)C2)C(C)(C)CCC1 ZINC000012577789 220009405 /nfs/dbraw/zinc/00/94/05/220009405.db2.gz OXMKAORZBZPVPH-FQEVSTJZSA-N 1 0 360.586 5.018 10 0 FKAERO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc3ccccc3c2)oc1C ZINC000012593889 220011468 /nfs/dbraw/zinc/01/14/68/220011468.db2.gz KCIBDPHAAZMCAW-OAQYLSRUSA-N 1 0 364.489 5.194 10 0 FKAERO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000012749965 204490506 /nfs/dbraw/zinc/49/05/06/204490506.db2.gz GGUHEQGEWREUDL-UHFFFAOYSA-N 1 0 370.496 5.519 10 0 FKAERO CCCC[NH+](CCCC)CCCNCc1cc(Cl)ccc1OCC ZINC000013733664 220090476 /nfs/dbraw/zinc/09/04/76/220090476.db2.gz RATNPAPCKGPOLT-UHFFFAOYSA-N 1 0 354.966 5.121 10 0 FKAERO CCCC[NH+](CCCC)CCCNCc1c(OC)ccc2ccccc21 ZINC000013733713 211054692 /nfs/dbraw/zinc/05/46/92/211054692.db2.gz ZXXJBYFVWIDOFG-UHFFFAOYSA-N 1 0 356.554 5.230 10 0 FKAERO CCCC[NH+](CCCC)CCCNCc1c(OCC)ccc2ccccc21 ZINC000013733716 220090828 /nfs/dbraw/zinc/09/08/28/220090828.db2.gz AXRRSJXDLBTQIL-UHFFFAOYSA-N 1 0 370.581 5.620 10 0 FKAERO [NH2+]=C(Nc1ccccc1-c1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000013733748 220091025 /nfs/dbraw/zinc/09/10/25/220091025.db2.gz JCHWQMYJHCKEHX-UHFFFAOYSA-N 1 0 363.464 6.479 10 0 FKAERO CCCC[NH+](CCCC)CCCNCc1ccc(-c2ccccc2F)o1 ZINC000013733824 220091032 /nfs/dbraw/zinc/09/10/32/220091032.db2.gz SQLLCBLOQVJYOY-UHFFFAOYSA-N 1 0 360.517 5.468 10 0 FKAERO CCCC[NH+](CCCC)CCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000013733826 211053785 /nfs/dbraw/zinc/05/37/85/211053785.db2.gz QUOHQQRSRWWKMK-UHFFFAOYSA-N 1 0 360.517 5.468 10 0 FKAERO CC[NH+](CC)CCCNCc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000013734600 211057076 /nfs/dbraw/zinc/05/70/76/211057076.db2.gz MEXBGDROTYLNRW-UHFFFAOYSA-N 1 0 374.956 5.049 10 0 FKAERO Clc1ccc(-c2cc(C3CC[NH+](CC4CCCCC4)CC3)[nH]n2)cc1 ZINC000013763818 210232721 /nfs/dbraw/zinc/23/27/21/210232721.db2.gz GTMVYXIUBGBXAW-UHFFFAOYSA-N 1 0 357.929 5.490 10 0 FKAERO C[C@H]1C[N@H+](CCc2cccc3ccccc32)CC[C@@]1(C)c1cccc(O)c1 ZINC000013833000 220096970 /nfs/dbraw/zinc/09/69/70/220096970.db2.gz KPIXEAVPOJWMOY-UQBPGWFLSA-N 1 0 359.513 5.388 10 0 FKAERO Cc1ccc(C[N@H+](Cc2cn(C)c3ccc(F)cc23)Cc2ccncc2)cc1 ZINC000013989365 220100350 /nfs/dbraw/zinc/10/03/50/220100350.db2.gz LAPGQIMHJHRUOP-UHFFFAOYSA-N 1 0 373.475 5.223 10 0 FKAERO O[C@@H]1CCCc2[nH+]c3ccccc3c(NCc3cccc(C(F)(F)F)c3)c21 ZINC000014946513 211107042 /nfs/dbraw/zinc/10/70/42/211107042.db2.gz BCLCATIAJDFAPY-GOSISDBHSA-N 1 0 372.390 5.235 10 0 FKAERO O[C@@H]1CCCc2[nH+]c3ccccc3c(NCc3ccc(C(F)(F)F)cc3)c21 ZINC000014946515 211106798 /nfs/dbraw/zinc/10/67/98/211106798.db2.gz OWMWWMZMOLIDRD-GOSISDBHSA-N 1 0 372.390 5.235 10 0 FKAERO O[C@H]1CCCc2[nH+]c3ccccc3c(NCc3ccc(C(F)(F)F)cc3)c21 ZINC000014946516 211107457 /nfs/dbraw/zinc/10/74/57/211107457.db2.gz OWMWWMZMOLIDRD-SFHVURJKSA-N 1 0 372.390 5.235 10 0 FKAERO O[C@@H]1CCCc2[nH+]c3cc(Cl)ccc3c(NCc3ccc(F)cc3)c21 ZINC000014946523 211106056 /nfs/dbraw/zinc/10/60/56/211106056.db2.gz WUNJSFUQRGEAEJ-GOSISDBHSA-N 1 0 356.828 5.009 10 0 FKAERO Cc1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cc3ccccc3[nH]2)cc1C ZINC000014975169 220138965 /nfs/dbraw/zinc/13/89/65/220138965.db2.gz OAWJVQCGKQZGKN-QHCPKHFHSA-N 1 0 370.500 5.138 10 0 FKAERO Cc1ccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cc3ccccc3[nH]2)cc1C ZINC000014975171 204593824 /nfs/dbraw/zinc/59/38/24/204593824.db2.gz OAWJVQCGKQZGKN-HSZRJFAPSA-N 1 0 370.500 5.138 10 0 FKAERO Clc1ccccc1-c1cncnc1[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000015005659 220140173 /nfs/dbraw/zinc/14/01/73/220140173.db2.gz XPZMQVUOGIBHPF-MRXNPFEDSA-N 1 0 369.921 5.238 10 0 FKAERO Clc1ccccc1-c1cncnc1[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000015005661 211112953 /nfs/dbraw/zinc/11/29/53/211112953.db2.gz XPZMQVUOGIBHPF-INIZCTEOSA-N 1 0 369.921 5.238 10 0 FKAERO CCOc1ccccc1-c1nc(CN(C)Cc2ccc(CC)cc2)c(C)o1 ZINC000015061875 220142837 /nfs/dbraw/zinc/14/28/37/220142837.db2.gz ZANDZSFALHUWCO-UHFFFAOYSA-N 1 0 364.489 5.243 10 0 FKAERO Clc1ccc(-c2nnc([C@H](c3ccccc3)[NH+]3CCCCCC3)o2)cc1 ZINC000015733666 211139791 /nfs/dbraw/zinc/13/97/91/211139791.db2.gz AHOABCFAECKUFW-IBGZPJMESA-N 1 0 367.880 5.355 10 0 FKAERO Clc1ccc(-c2nnc([C@@H](c3ccccc3)[NH+]3CCCCCC3)o2)cc1 ZINC000015733667 220162538 /nfs/dbraw/zinc/16/25/38/220162538.db2.gz AHOABCFAECKUFW-LJQANCHMSA-N 1 0 367.880 5.355 10 0 FKAERO Cc1ccc(C[N@@H+](Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)CC(C)C)cc1 ZINC000015862311 571138519 /nfs/dbraw/zinc/13/85/19/571138519.db2.gz HGFCOZNEXPYPBM-UHFFFAOYSA-N 1 0 362.517 5.112 10 0 FKAERO Cc1cccc(C[N@@H+]2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c1 ZINC000015864821 211148343 /nfs/dbraw/zinc/14/83/43/211148343.db2.gz XFGRLHZROGGQER-DEOSSOPVSA-N 1 0 373.565 6.083 10 0 FKAERO Cc1cccc(C[N@@H+]2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c1 ZINC000015864822 211146964 /nfs/dbraw/zinc/14/69/64/211146964.db2.gz XFGRLHZROGGQER-XMMPIXPASA-N 1 0 373.565 6.083 10 0 FKAERO CCc1c(C)sc2c1CC[N@H+](Cc1cccc(C)c1)[C@H]2c1ccccc1 ZINC000015864868 220169729 /nfs/dbraw/zinc/16/97/29/220169729.db2.gz ZNVFPARBQFRQKF-QHCPKHFHSA-N 1 0 361.554 6.075 10 0 FKAERO C[C@@H]1[C@H](c2ccccc2)[NH+](C)[C@@H](c2ccccc2)[C@@H](C)C1(O)c1ccccc1 ZINC000017141146 220206660 /nfs/dbraw/zinc/20/66/60/220206660.db2.gz HEXUVKQFPIUPML-GQUJEBGOSA-N 1 0 371.524 5.574 10 0 FKAERO Cc1cc(N)c2cc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[nH+]1 ZINC000017289579 220211935 /nfs/dbraw/zinc/21/19/35/220211935.db2.gz SJGWCVVYMGKPJE-XVNBXDOJSA-N 1 0 372.255 5.084 10 0 FKAERO COc1ccc([C@@H](C)[N@H+](C)Cc2c3cccnc3[nH]c2C(C)(C)C)cc1 ZINC000019458710 220262064 /nfs/dbraw/zinc/26/20/64/220262064.db2.gz BHYDHNBZSSDJBQ-OAHLLOKOSA-N 1 0 351.494 5.062 10 0 FKAERO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000019743276 220292207 /nfs/dbraw/zinc/29/22/07/220292207.db2.gz RYHSBJNSIFNWML-QGZVFWFLSA-N 1 0 368.427 5.308 10 0 FKAERO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000019743278 207707568 /nfs/dbraw/zinc/70/75/68/207707568.db2.gz RYHSBJNSIFNWML-KRWDZBQOSA-N 1 0 368.427 5.308 10 0 FKAERO C[C@@H]([NH2+]CCc1cccs1)c1cc2cc(Br)ccc2o1 ZINC000019949226 220307216 /nfs/dbraw/zinc/30/72/16/220307216.db2.gz KNIYFIHJPZOXCT-LLVKDONJSA-N 1 0 350.281 5.150 10 0 FKAERO C[C@H]([NH2+]CCc1cccs1)c1cc2cc(Br)ccc2o1 ZINC000019949230 220307163 /nfs/dbraw/zinc/30/71/63/220307163.db2.gz KNIYFIHJPZOXCT-NSHDSACASA-N 1 0 350.281 5.150 10 0 FKAERO C[C@H]([NH2+]Cc1cc(Br)cs1)c1ccc(Cl)cc1Cl ZINC000020306302 211273721 /nfs/dbraw/zinc/27/37/21/211273721.db2.gz HDNMKIMDGAQQQJ-QMMMGPOBSA-N 1 0 365.123 5.668 10 0 FKAERO C[C@H]([NH2+]Cc1cc(Br)cs1)c1ccc(Cl)c(Cl)c1 ZINC000020306374 220320320 /nfs/dbraw/zinc/32/03/20/220320320.db2.gz NMJDTMFJJSWCTD-QMMMGPOBSA-N 1 0 365.123 5.668 10 0 FKAERO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(Cl)cc1Cl ZINC000020551952 220333610 /nfs/dbraw/zinc/33/36/10/220333610.db2.gz KESACZGXFGADJE-MRVPVSSYSA-N 1 0 365.123 5.668 10 0 FKAERO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2Cl)o1)C12CC3CC(CC(C3)C1)C2 ZINC000020875993 207756365 /nfs/dbraw/zinc/75/63/65/207756365.db2.gz GONSRBGGTOXVJY-LRYXAPPNSA-N 1 0 369.936 6.295 10 0 FKAERO C[C@H]([NH2+]Cc1ccc(-c2ccccc2Cl)o1)C12CC3CC(CC(C3)C1)C2 ZINC000020875995 204740182 /nfs/dbraw/zinc/74/01/82/204740182.db2.gz GONSRBGGTOXVJY-SCUMNGBJSA-N 1 0 369.936 6.295 10 0 FKAERO Clc1ccc(CC[NH2+]Cc2ccccc2Br)c(Cl)c1 ZINC000021018940 220349367 /nfs/dbraw/zinc/34/93/67/220349367.db2.gz NXPXLCYIRRWAQJ-UHFFFAOYSA-N 1 0 359.094 5.088 10 0 FKAERO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(Cl)c(Cl)c1 ZINC000021512644 220358586 /nfs/dbraw/zinc/35/85/86/220358586.db2.gz MMVDPLIFTBLVEI-QMMMGPOBSA-N 1 0 365.123 5.668 10 0 FKAERO c1ccc(C[NH2+][C@H]2CCCc3c2c2ccccc2n3Cc2ccccc2)cc1 ZINC000021983338 220372468 /nfs/dbraw/zinc/37/24/68/220372468.db2.gz NLLBSEJGOLSTDO-QHCPKHFHSA-N 1 0 366.508 5.857 10 0 FKAERO CC(C)(C)c1ccc(C(O)(c2ccc(C(C)(C)C)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000021983405 220372504 /nfs/dbraw/zinc/37/25/04/220372504.db2.gz TYWDBIAEUNKFNA-QFIPXVFZSA-N 1 0 365.561 5.270 10 0 FKAERO CC/C(=C(\c1ccccc1)c1ccc(OCC[NH2+]C)cc1)c1ccc(O)cc1 ZINC000022056302 570938055 /nfs/dbraw/zinc/93/80/55/570938055.db2.gz KLPBCGLMGLFHNY-IZHYLOQSSA-N 1 0 373.496 5.360 10 0 in-vitro FKAERO Cc1oc(-c2cccs2)nc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000023478930 211388686 /nfs/dbraw/zinc/38/86/86/211388686.db2.gz LGJNYIAQWDFOIQ-UHFFFAOYSA-N 1 0 362.498 5.272 10 0 FKAERO Clc1ccc(CN2CC=C(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000026285209 210182164 /nfs/dbraw/zinc/18/21/64/210182164.db2.gz OETFULLTUNJRQW-UHFFFAOYSA-N 1 0 359.256 5.424 10 0 FKAERO Cc1cccc(C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)c1 ZINC000027526097 220537378 /nfs/dbraw/zinc/53/73/78/220537378.db2.gz LVVNOLZGBUVOFF-UHFFFAOYSA-N 1 0 358.292 5.052 10 0 FKAERO COC1CCC([C@H](C)[NH2+]CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)CC1 ZINC000027666498 206456394 /nfs/dbraw/zinc/45/63/94/206456394.db2.gz VXABSJFGYZTECR-CCTQZPCPSA-N 1 0 373.581 5.087 10 0 FKAERO COC1CCC([C@@H](C)[NH2+]CC[C@]2(c3ccccc3)CCOC(C)(C)C2)CC1 ZINC000027666499 206456091 /nfs/dbraw/zinc/45/60/91/206456091.db2.gz VXABSJFGYZTECR-WGYUTPKQSA-N 1 0 373.581 5.087 10 0 FKAERO NC(=[NH2+])c1ccc2cc([C@@H]3C[C@@H]3c3ccccc3)cc(-c3ccoc3)c2c1 ZINC000028353588 581097281 /nfs/dbraw/zinc/09/72/81/581097281.db2.gz YWICPAXCVQQOLK-PKTZIBPZSA-N 1 0 352.437 5.655 10 0 FKAERO NC(=[NH2+])c1ccc2cc([C@H]3C[C@@H]3c3ccccc3)cc(-c3ccoc3)c2c1 ZINC000028353596 581097287 /nfs/dbraw/zinc/09/72/87/581097287.db2.gz YWICPAXCVQQOLK-DHIUTWEWSA-N 1 0 352.437 5.655 10 0 FKAERO c1ccc(C(CC[NH+]2CCC(c3ccccc3)CC2)c2ccccc2)cc1 ZINC000031596863 203930848 /nfs/dbraw/zinc/93/08/48/203930848.db2.gz XHHIHBUVRJLGPM-UHFFFAOYSA-N 1 0 355.525 6.088 10 0 FKAERO O[C@H](C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000031911728 208020673 /nfs/dbraw/zinc/02/06/73/208020673.db2.gz XIRXFWVXTYTMCF-JOCHJYFZSA-N 1 0 351.877 5.076 10 0 FKAERO Clc1ccc([C@@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000032917085 571060259 /nfs/dbraw/zinc/06/02/59/571060259.db2.gz KFGZSNALAMMRJL-IBGZPJMESA-N 1 0 354.906 5.264 10 0 FKAERO Clc1ccc([C@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000032917086 571060276 /nfs/dbraw/zinc/06/02/76/571060276.db2.gz KFGZSNALAMMRJL-LJQANCHMSA-N 1 0 354.906 5.264 10 0 FKAERO C[N+](C)(C)c1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000033376540 717121044 /nfs/dbraw/zinc/12/10/44/717121044.db2.gz JOHBGQDLSZLLGM-SDXDJHTJSA-N 1 0 372.488 5.358 10 0 FKAERO c1ccc(C(CC[N@@H+]2CCc3cc4c(cc3C2)CCC4)c2ccccc2)cc1 ZINC000033852092 208101408 /nfs/dbraw/zinc/10/14/08/208101408.db2.gz WAXWGVSIEIYNEJ-UHFFFAOYSA-N 1 0 367.536 5.756 10 0 FKAERO CC(C)(C)C1(O)CC[NH+](CC2c3ccccc3Sc3ccccc32)CC1 ZINC000033865077 211613408 /nfs/dbraw/zinc/61/34/08/211613408.db2.gz KOLVUYCISGFJKK-UHFFFAOYSA-N 1 0 367.558 5.156 10 0 FKAERO Clc1c(CCC2CC[NH2+]CC2)c2ccccc2nc1-c1ccccc1 ZINC000033877544 220751431 /nfs/dbraw/zinc/75/14/31/220751431.db2.gz IQIVZMAXIHEQCA-UHFFFAOYSA-N 1 0 350.893 5.487 10 0 FKAERO CCN(CC)c1cc[nH+]cc1-c1c2ccccc2ccc1-c1ccccc1 ZINC000034043673 210246215 /nfs/dbraw/zinc/24/62/15/210246215.db2.gz XKZROWSITVHJDX-UHFFFAOYSA-N 1 0 352.481 6.415 10 0 FKAERO Fc1ccc(-c2cn(C3CC[NH2+]CC3)c3ccc(C(F)(F)F)cc23)cc1 ZINC000034136578 220753151 /nfs/dbraw/zinc/75/31/51/220753151.db2.gz RTYINDXNUQITIB-UHFFFAOYSA-N 1 0 362.370 5.391 10 0 FKAERO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034683018 570532244 /nfs/dbraw/zinc/53/22/44/570532244.db2.gz GMRRAEUYMTVGHE-UHFFFAOYSA-N 1 0 370.924 5.056 10 0 FKAERO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000034683362 208103949 /nfs/dbraw/zinc/10/39/49/208103949.db2.gz ZNLHXOQWXLSUAH-UHFFFAOYSA-N 1 0 364.533 5.019 10 0 FKAERO NC(=[NH2+])c1ccc2cc([C@H]3C[C@H]3c3ccccc3)cc(-c3ccoc3)c2c1 ZINC000034717864 581097243 /nfs/dbraw/zinc/09/72/43/581097243.db2.gz YWICPAXCVQQOLK-XZOQPEGZSA-N 1 0 352.437 5.655 10 0 FKAERO Fc1ccccc1O[C@@H](CC[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000034726874 570550063 /nfs/dbraw/zinc/55/00/63/570550063.db2.gz ATRMFGSWQPSIRA-NRFANRHFSA-N 1 0 367.489 5.456 10 0 FKAERO Fc1ccccc1O[C@H](CC[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000034726878 208107913 /nfs/dbraw/zinc/10/79/13/208107913.db2.gz ATRMFGSWQPSIRA-OAQYLSRUSA-N 1 0 367.489 5.456 10 0 FKAERO C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1cccc(Br)c1 ZINC000035231457 207075013 /nfs/dbraw/zinc/07/50/13/207075013.db2.gz MFPLCDSHFYYADO-JTQLQIEISA-N 1 0 359.094 5.607 10 0 FKAERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1cccc(Br)c1 ZINC000035231458 204186792 /nfs/dbraw/zinc/18/67/92/204186792.db2.gz MFPLCDSHFYYADO-SNVBAGLBSA-N 1 0 359.094 5.607 10 0 FKAERO C[C@H]([NH2+]Cc1csc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000035251221 220774674 /nfs/dbraw/zinc/77/46/74/220774674.db2.gz VHXSICDFJUDXQJ-QMMMGPOBSA-N 1 0 365.123 5.668 10 0 FKAERO C[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000035251224 208121312 /nfs/dbraw/zinc/12/13/12/208121312.db2.gz VHXSICDFJUDXQJ-MRVPVSSYSA-N 1 0 365.123 5.668 10 0 FKAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cc(Br)ccc1Cl ZINC000035497978 208126398 /nfs/dbraw/zinc/12/63/98/208126398.db2.gz XBWVOYPVVOXCBG-GFCCVEGCSA-N 1 0 351.096 5.126 10 0 FKAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1F ZINC000035501522 204296934 /nfs/dbraw/zinc/29/69/34/204296934.db2.gz UVGFWDXNJLVPSP-AWEZNQCLSA-N 1 0 363.057 5.204 10 0 FKAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)c1cc(F)ccc1Br ZINC000035501620 207193900 /nfs/dbraw/zinc/19/39/00/207193900.db2.gz KEGAUZVVQSLNID-CQSZACIVSA-N 1 0 363.057 5.204 10 0 FKAERO C[NH2+][C@@H](c1ccc(Br)s1)c1cc(Cl)ccc1Cl ZINC000035501813 208126288 /nfs/dbraw/zinc/12/62/88/208126288.db2.gz HZGYTDWTNOQFQI-GFCCVEGCSA-N 1 0 351.096 5.126 10 0 FKAERO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1cccc(Br)c1 ZINC000035502147 208126219 /nfs/dbraw/zinc/12/62/19/208126219.db2.gz VKDRMYYITFXREP-NSHDSACASA-N 1 0 351.096 5.126 10 0 FKAERO C[NH2+][C@H](Cc1ccc(Br)cc1)c1cc(Cl)sc1Cl ZINC000035502263 208125876 /nfs/dbraw/zinc/12/58/76/208125876.db2.gz HZFNTGAMVNEDKK-LLVKDONJSA-N 1 0 365.123 5.321 10 0 FKAERO CCCCC[C@H]([NH2+]CC)c1cc(Br)ccc1Br ZINC000035541747 204995659 /nfs/dbraw/zinc/99/56/59/204995659.db2.gz UUKDZOJEOIVHNX-AWEZNQCLSA-N 1 0 363.137 5.443 10 0 FKAERO CCC[C@H](C)[C@H]([NH2+]CC)c1cc(Br)ccc1Br ZINC000035541760 208131087 /nfs/dbraw/zinc/13/10/87/208131087.db2.gz QQUPYLUYDAAMDZ-HZMBPMFUSA-N 1 0 363.137 5.298 10 0 FKAERO CC[NH2+][C@@H](c1cc(Br)ccc1Br)C(CC)CC ZINC000035541908 211640285 /nfs/dbraw/zinc/64/02/85/211640285.db2.gz YWKVHKZMBWHOGP-CQSZACIVSA-N 1 0 363.137 5.298 10 0 FKAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cc(Br)ccc1Cl ZINC000035552893 208129579 /nfs/dbraw/zinc/12/95/79/208129579.db2.gz IGQKLYVFSGBDFA-ZDUSSCGKSA-N 1 0 365.123 5.516 10 0 FKAERO CC[NH2+][C@@H](c1ccc(Br)s1)c1cc(Cl)ccc1Cl ZINC000035558676 208129887 /nfs/dbraw/zinc/12/98/87/208129887.db2.gz REKCRILITUXIOY-CYBMUJFWSA-N 1 0 365.123 5.516 10 0 FKAERO CC[NH2+][C@H](c1ccc(Br)s1)c1cc(Cl)ccc1Cl ZINC000035558679 208129898 /nfs/dbraw/zinc/12/98/98/208129898.db2.gz REKCRILITUXIOY-ZDUSSCGKSA-N 1 0 365.123 5.516 10 0 FKAERO CC[NH2+][C@@H](c1cc(Cl)sc1Cl)c1cccc(Br)c1 ZINC000035559460 208131424 /nfs/dbraw/zinc/13/14/24/208131424.db2.gz CGNSXFGXWZKMFQ-GFCCVEGCSA-N 1 0 365.123 5.516 10 0 FKAERO CCC[NH2+][C@@H](CC(C)C)c1cc(Br)ccc1Br ZINC000035578528 208132753 /nfs/dbraw/zinc/13/27/53/208132753.db2.gz AWWUHDGLVPDJNA-AWEZNQCLSA-N 1 0 363.137 5.298 10 0 FKAERO CCC[NH2+][C@H](c1cc(Br)ccc1Br)C1CCC1 ZINC000035578644 208133726 /nfs/dbraw/zinc/13/37/26/208133726.db2.gz XVPUSUVZIKELAR-AWEZNQCLSA-N 1 0 361.121 5.052 10 0 FKAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(Br)cc1F ZINC000035583572 207218135 /nfs/dbraw/zinc/21/81/35/207218135.db2.gz OCOIXIUNVDHHKG-AWEZNQCLSA-N 1 0 362.695 5.392 10 0 FKAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1cc(Br)ccc1F ZINC000035583576 204318438 /nfs/dbraw/zinc/31/84/38/204318438.db2.gz QUMDGBSJZNNENT-CQSZACIVSA-N 1 0 362.695 5.392 10 0 FKAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1cc(Br)ccc1F ZINC000035583577 207218160 /nfs/dbraw/zinc/21/81/60/207218160.db2.gz QUMDGBSJZNNENT-AWEZNQCLSA-N 1 0 362.695 5.392 10 0 FKAERO CCC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(Cl)c(Cl)c1 ZINC000035584810 204317489 /nfs/dbraw/zinc/31/74/89/204317489.db2.gz PBILIFNMRPGABN-CQSZACIVSA-N 1 0 363.082 5.438 10 0 FKAERO CCC(O)(CC)c1ccc(CN(Cc2ccco2)Cc2ccccc2)o1 ZINC000036145486 571149147 /nfs/dbraw/zinc/14/91/47/571149147.db2.gz MARWOEDLKDBOGM-UHFFFAOYSA-N 1 0 353.462 5.083 10 0 FKAERO Cc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000036348383 571248881 /nfs/dbraw/zinc/24/88/81/571248881.db2.gz WILCQZRRBMDGSL-RUZDIDTESA-N 1 0 372.556 6.089 10 0 FKAERO Cc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000036348384 208155307 /nfs/dbraw/zinc/15/53/07/208155307.db2.gz WILCQZRRBMDGSL-VWLOTQADSA-N 1 0 372.556 6.089 10 0 FKAERO CCC[NH2+]Cc1ccc(-c2c(Cl)cc(Br)cc2Cl)o1 ZINC000036819174 517590202 /nfs/dbraw/zinc/59/02/02/517590202.db2.gz JZRZVHVYRCATII-UHFFFAOYSA-N 1 0 363.082 5.516 10 0 FKAERO CC[C@H]([NH3+])c1ccc(-c2c(Cl)cc(Br)cc2Cl)s1 ZINC000036927911 205023417 /nfs/dbraw/zinc/02/34/17/205023417.db2.gz QFCLKXIQHZIHCN-JTQLQIEISA-N 1 0 365.123 5.894 10 0 FKAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000037220788 211057658 /nfs/dbraw/zinc/05/76/58/211057658.db2.gz LDJYMKFLZLPTPK-ZIAGYGMSSA-N 1 0 365.258 5.011 10 0 FKAERO [NH3+][C@H](c1cc(Cl)sc1Cl)c1cc(Br)ccc1Cl ZINC000037287942 205024924 /nfs/dbraw/zinc/02/49/24/205024924.db2.gz RJGWBDDCGUBULV-JTQLQIEISA-N 1 0 371.514 5.519 10 0 FKAERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1sccc1Br ZINC000037305931 211097985 /nfs/dbraw/zinc/09/79/85/211097985.db2.gz ZFTDHQAXPSORJZ-XNWIYYODSA-N 1 0 356.251 5.282 10 0 FKAERO [NH3+][C@@H](c1csc2ccccc21)c1ccc(Br)cc1Cl ZINC000037365898 211153843 /nfs/dbraw/zinc/15/38/43/211153843.db2.gz PAOMSGFDTRUQEF-OAHLLOKOSA-N 1 0 352.684 5.365 10 0 FKAERO [NH3+][C@H](c1cc(Cl)sc1Cl)c1cc(Br)ccc1F ZINC000037379483 205025707 /nfs/dbraw/zinc/02/57/07/205025707.db2.gz JVSDRJPNYDOZHZ-JTQLQIEISA-N 1 0 355.059 5.005 10 0 FKAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(I)cc2)cc1 ZINC000037770348 211273795 /nfs/dbraw/zinc/27/37/95/211273795.db2.gz ITLWCSFTVCDTNO-KBPBESRZSA-N 1 0 365.258 5.011 10 0 FKAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Br)s2)cc1 ZINC000038002450 204774386 /nfs/dbraw/zinc/77/43/86/204774386.db2.gz FKANXTBSRFQHOO-QWHCGFSZSA-N 1 0 368.340 5.710 10 0 FKAERO C[C@H](Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)s1 ZINC000038002575 211343538 /nfs/dbraw/zinc/34/35/38/211343538.db2.gz UXMQYHDVTQLOKX-ZDUSSCGKSA-N 1 0 365.340 5.280 10 0 FKAERO C[C@@H](Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)s1 ZINC000038002576 211344564 /nfs/dbraw/zinc/34/45/64/211344564.db2.gz UXMQYHDVTQLOKX-CYBMUJFWSA-N 1 0 365.340 5.280 10 0 FKAERO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1ccc(F)cc1 ZINC000038002601 220845472 /nfs/dbraw/zinc/84/54/72/220845472.db2.gz YOLXGSXSADXPJL-ZBEGNZNMSA-N 1 0 356.304 5.698 10 0 FKAERO C[C@H](Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(Br)s1 ZINC000038002679 207797902 /nfs/dbraw/zinc/79/79/02/207797902.db2.gz IUNXGQVCTPXNNU-ZDUSSCGKSA-N 1 0 365.340 5.280 10 0 FKAERO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)s2)c1 ZINC000038002729 211341385 /nfs/dbraw/zinc/34/13/85/211341385.db2.gz QDHVDROOOAWFSL-CHWSQXEVSA-N 1 0 368.340 5.710 10 0 FKAERO CC[NH+](CC)Cc1cccc(N[C@H](C)c2ccc(Br)s2)c1 ZINC000038002974 211341938 /nfs/dbraw/zinc/34/19/38/211341938.db2.gz FLNFLJYASBQINJ-CYBMUJFWSA-N 1 0 367.356 5.526 10 0 FKAERO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038003077 207797817 /nfs/dbraw/zinc/79/78/17/207797817.db2.gz UEYHBUWJFDFHQG-OLZOCXBDSA-N 1 0 368.340 5.710 10 0 FKAERO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038003079 211342979 /nfs/dbraw/zinc/34/29/79/211342979.db2.gz UEYHBUWJFDFHQG-CHWSQXEVSA-N 1 0 368.340 5.710 10 0 FKAERO CC[NH+](CC)CCOc1ccc(/C(=C\c2ccccc2)c2ccccc2)cc1 ZINC000038191482 208201563 /nfs/dbraw/zinc/20/15/63/208201563.db2.gz YOKPBLYAKJJMQO-QLYXXIJNSA-N 1 0 371.524 5.996 10 0 in-vitro FKAERO CCCCCOc1cccc(NC(=O)O[C@H]2CCCC[C@@H]2[NH+]2CCCC2)c1 ZINC000039297512 205096904 /nfs/dbraw/zinc/09/69/04/205096904.db2.gz HVYGHQWGUABUST-SFTDATJTSA-N 1 0 374.525 5.211 10 0 in-man FKAERO CC[NH+](CC)CCn1c2ccccc2nc1Cc1cccc2ccccc21 ZINC000040389746 205067980 /nfs/dbraw/zinc/06/79/80/205067980.db2.gz LSOTZYGSODKTEM-UHFFFAOYSA-N 1 0 357.501 5.122 10 0 FKAERO CC[NH+](CC)CCn1c(CSc2ccc(Cl)cc2)nc2ccccc21 ZINC000040389755 205068082 /nfs/dbraw/zinc/06/80/82/205068082.db2.gz GRGNVPKPYAUGHU-UHFFFAOYSA-N 1 0 373.953 5.324 10 0 FKAERO CCCC[NH+](CCCC)CCCn1c2ccccc2nc1-c1ccccc1 ZINC000040389917 208248983 /nfs/dbraw/zinc/24/89/83/208248983.db2.gz APJPUUDXKWKUSY-UHFFFAOYSA-N 1 0 363.549 5.996 10 0 FKAERO CC[NH+](CC)CCCn1c2ccc(C(F)(F)F)cc2nc1C(C)(C)C ZINC000040403554 208251466 /nfs/dbraw/zinc/25/14/66/208251466.db2.gz ARABNDKSHZIOQB-UHFFFAOYSA-N 1 0 355.448 5.085 10 0 FKAERO CC[NH+](CC)CCCn1c2ccc(Cl)cc2nc1Cc1ccccc1 ZINC000040403745 211745080 /nfs/dbraw/zinc/74/50/80/211745080.db2.gz UQRTWIWJUBEHNH-UHFFFAOYSA-N 1 0 355.913 5.012 10 0 FKAERO CC[NH+](CC)CCCn1c2cc(Cl)ccc2nc1-c1ccccc1C ZINC000040403778 205069527 /nfs/dbraw/zinc/06/95/27/205069527.db2.gz YOTJZFNAWXYHIM-UHFFFAOYSA-N 1 0 355.913 5.397 10 0 FKAERO CC[NH+](CC)CCCn1c2cc(Cl)ccc2nc1-c1cccc(C)c1 ZINC000040403787 211744420 /nfs/dbraw/zinc/74/44/20/211744420.db2.gz YBULNGUKNQMRKP-UHFFFAOYSA-N 1 0 355.913 5.397 10 0 FKAERO CC[NH+](CC)CCCn1c2ccc(Cl)cc2nc1-c1ccc(C)cc1 ZINC000040403793 205068694 /nfs/dbraw/zinc/06/86/94/205068694.db2.gz UFBFQAXKHCYBFX-UHFFFAOYSA-N 1 0 355.913 5.397 10 0 FKAERO CC[NH+](CC)CCCn1c(COc2ccccc2)nc2ccc(Cl)cc21 ZINC000040403837 208250219 /nfs/dbraw/zinc/25/02/19/208250219.db2.gz FWMWWDGSUJCPRP-UHFFFAOYSA-N 1 0 371.912 5.001 10 0 FKAERO C[NH+](C)CCCn1c2ccc(C(F)(F)F)cc2nc1C1CCCCC1 ZINC000040404020 205069120 /nfs/dbraw/zinc/06/91/20/205069120.db2.gz MNMCAAOCQQUPGR-UHFFFAOYSA-N 1 0 353.432 5.055 10 0 FKAERO CC[NH+](CC)CCn1c2ccc(C(F)(F)F)cc2nc1C1CCCCC1 ZINC000040405373 208253580 /nfs/dbraw/zinc/25/35/80/208253580.db2.gz IZNSVUFDEBQVBS-UHFFFAOYSA-N 1 0 367.459 5.445 10 0 FKAERO CC[NH+](CC)CCn1c2ccc(C(F)(F)F)cc2nc1-c1cccs1 ZINC000040405424 211745127 /nfs/dbraw/zinc/74/51/27/211745127.db2.gz MSNRMSDWZIFVQU-UHFFFAOYSA-N 1 0 367.440 5.125 10 0 FKAERO CC[NH+](CC)CCn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1 ZINC000040405427 205069301 /nfs/dbraw/zinc/06/93/01/205069301.db2.gz LQRQTLUSDGMJAS-UHFFFAOYSA-N 1 0 361.411 5.064 10 0 FKAERO CCCC[NH+](CCCC)CCCn1c2ccc(Cl)cc2nc1C(C)C ZINC000040406433 205068904 /nfs/dbraw/zinc/06/89/04/205068904.db2.gz NJMZARJLKGCRHL-UHFFFAOYSA-N 1 0 363.977 6.105 10 0 FKAERO CCCC[NH+](CCCC)CCCn1c2cc(Cl)ccc2nc1C(C)C ZINC000040406435 208252736 /nfs/dbraw/zinc/25/27/36/208252736.db2.gz AMYYEWRREZNHPD-UHFFFAOYSA-N 1 0 363.977 6.105 10 0 FKAERO CCCC[NH+](CCCC)CCCn1c2ccc(Cl)cc2nc1C1CC1 ZINC000040406475 208253364 /nfs/dbraw/zinc/25/33/64/208253364.db2.gz DIJHJAGEEICLLP-UHFFFAOYSA-N 1 0 361.961 5.859 10 0 FKAERO CCCC[NH+](CCCC)CCCn1c(COC)nc2ccc(Cl)cc21 ZINC000040406622 211744726 /nfs/dbraw/zinc/74/47/26/211744726.db2.gz XQMGHTKVAQKTGJ-UHFFFAOYSA-N 1 0 365.949 5.128 10 0 FKAERO CCCC[NH+](CCCC)CCCn1c(COC)nc2cc(Cl)ccc21 ZINC000040406625 205069717 /nfs/dbraw/zinc/06/97/17/205069717.db2.gz MQPIQMJUFDZCHS-UHFFFAOYSA-N 1 0 365.949 5.128 10 0 FKAERO c1ccc2sc(Oc3ccc(OCC[NH+]4CCCCCC4)cc3)nc2c1 ZINC000040919150 581091955 /nfs/dbraw/zinc/09/19/55/581091955.db2.gz JDZUDVCYJPNUKO-UHFFFAOYSA-N 1 0 368.502 5.343 10 0 in-vivo FKAERO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(Br)cc3C)c2c1 ZINC000041127712 210047272 /nfs/dbraw/zinc/04/72/72/210047272.db2.gz UAUVFNUFPYOSQN-UHFFFAOYSA-N 1 0 371.278 5.756 10 0 FKAERO C[C@@H]([NH2+]C1CCCCC1)c1ccc(Br)cc1Br ZINC000042306360 208292161 /nfs/dbraw/zinc/29/21/61/208292161.db2.gz CCIKFWGDEOBMGB-SNVBAGLBSA-N 1 0 361.121 5.195 10 0 FKAERO CC[C@H]([NH3+])[C@H](Oc1ccc(Cl)cc1Br)c1cccs1 ZINC000043108991 206016728 /nfs/dbraw/zinc/01/67/28/206016728.db2.gz UCZYKXKZUMKVCS-FZMZJTMJSA-N 1 0 360.704 5.021 10 0 FKAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(Cl)cc1Br)c1cccs1 ZINC000043108995 209273171 /nfs/dbraw/zinc/27/31/71/209273171.db2.gz UCZYKXKZUMKVCS-RISCZKNCSA-N 1 0 360.704 5.021 10 0 FKAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1Br)c1cccs1 ZINC000043108999 209273179 /nfs/dbraw/zinc/27/31/79/209273179.db2.gz UCZYKXKZUMKVCS-SMDDNHRTSA-N 1 0 360.704 5.021 10 0 FKAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1Br)c1cccs1 ZINC000043109002 209274548 /nfs/dbraw/zinc/27/45/48/209274548.db2.gz UCZYKXKZUMKVCS-BXUZGUMPSA-N 1 0 360.704 5.021 10 0 FKAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(Br)cc1Cl)c1cccs1 ZINC000043110508 209273427 /nfs/dbraw/zinc/27/34/27/209273427.db2.gz SNHASHXDLQMTPG-RISCZKNCSA-N 1 0 360.704 5.021 10 0 FKAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(Br)cc1Cl)c1cccs1 ZINC000043110512 206016295 /nfs/dbraw/zinc/01/62/95/206016295.db2.gz SNHASHXDLQMTPG-SMDDNHRTSA-N 1 0 360.704 5.021 10 0 FKAERO CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000044699444 211800092 /nfs/dbraw/zinc/80/00/92/211800092.db2.gz YCQBLTPGQSYLHD-VHXPQNKSSA-N 1 0 359.469 5.099 10 0 world FKAERO CC1(C)C(C(=O)c2cn(CC[NH+]3CCCCCC3)c3ccccc23)C1(C)C ZINC000045285374 205118797 /nfs/dbraw/zinc/11/87/97/205118797.db2.gz LVQLXZWACOKCSL-UHFFFAOYSA-N 1 0 366.549 5.382 10 0 FKAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(I)cc2)s1 ZINC000049160648 205171075 /nfs/dbraw/zinc/17/10/75/205171075.db2.gz NKDVCHAGVGKQST-NWDGAFQWSA-N 1 0 371.287 5.073 10 0 FKAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(I)cc2)s1 ZINC000049160661 205170286 /nfs/dbraw/zinc/17/02/86/205170286.db2.gz NKDVCHAGVGKQST-NEPJUHHUSA-N 1 0 371.287 5.073 10 0 FKAERO CC(C)c1ccc([C@H](C[NH3+])c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000049454889 221023062 /nfs/dbraw/zinc/02/30/62/221023062.db2.gz HVVAZYYILFBITO-DEOSSOPVSA-N 1 0 368.524 5.904 10 0 FKAERO CC[C@H]([NH2+][C@@H](C)c1ccc(I)cc1)c1cccs1 ZINC000049529454 221024862 /nfs/dbraw/zinc/02/48/62/221024862.db2.gz XQQLAPIWLUVOLC-FZMZJTMJSA-N 1 0 371.287 5.155 10 0 FKAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(I)cc1)c1cccs1 ZINC000049529455 221024507 /nfs/dbraw/zinc/02/45/07/221024507.db2.gz XQQLAPIWLUVOLC-SMDDNHRTSA-N 1 0 371.287 5.155 10 0 FKAERO CC[C@H]([NH2+][C@H](C)c1ccc(I)cc1)c1cccs1 ZINC000049529456 221024650 /nfs/dbraw/zinc/02/46/50/221024650.db2.gz XQQLAPIWLUVOLC-RISCZKNCSA-N 1 0 371.287 5.155 10 0 FKAERO CC[C@@H]([NH2+][C@H](C)c1ccc(I)cc1)c1cccs1 ZINC000049529457 221024917 /nfs/dbraw/zinc/02/49/17/221024917.db2.gz XQQLAPIWLUVOLC-BXUZGUMPSA-N 1 0 371.287 5.155 10 0 FKAERO C[NH2+][C@@H](C)c1cc(Cl)ccc1OCc1ccc(Br)s1 ZINC000050209838 221031219 /nfs/dbraw/zinc/03/12/19/221031219.db2.gz VEBQUQPTXNTUID-VIFPVBQESA-N 1 0 360.704 5.023 10 0 FKAERO C[NH2+][C@H](C)c1cc(Cl)ccc1OCc1ccc(Br)s1 ZINC000050209839 221031194 /nfs/dbraw/zinc/03/11/94/221031194.db2.gz VEBQUQPTXNTUID-SECBINFHSA-N 1 0 360.704 5.023 10 0 FKAERO CC[C@H]([NH2+]Cc1cc(Br)c(Br)o1)c1ccccc1 ZINC000051627161 205183952 /nfs/dbraw/zinc/18/39/52/205183952.db2.gz NORCODTVELQKBV-ZDUSSCGKSA-N 1 0 373.088 5.046 10 0 FKAERO CC[C@@H]([NH2+]Cc1cc(Br)c(Br)o1)c1ccccc1 ZINC000051627163 205183928 /nfs/dbraw/zinc/18/39/28/205183928.db2.gz NORCODTVELQKBV-CYBMUJFWSA-N 1 0 373.088 5.046 10 0 FKAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000052660068 568376922 /nfs/dbraw/zinc/37/69/22/568376922.db2.gz DHTODUXTXNVZQS-RYUDHWBXSA-N 1 0 370.802 5.037 10 0 FKAERO CC[C@H]([NH3+])c1ccc(-c2c(Br)cc(C)cc2Br)o1 ZINC000054107102 205197708 /nfs/dbraw/zinc/19/77/08/205197708.db2.gz HTPWDZGZPLEFLZ-NSHDSACASA-N 1 0 373.088 5.190 10 0 FKAERO C[C@@H]([NH3+])[C@H](Sc1cccc(Cl)c1)c1ccc(Br)s1 ZINC000054185407 221051561 /nfs/dbraw/zinc/05/15/61/221051561.db2.gz XCODDLDYYBIDKY-OQPBUACISA-N 1 0 362.745 5.345 10 0 FKAERO C[C@H]([NH3+])[C@@H](Sc1cccc(Cl)c1)c1ccc(Br)s1 ZINC000054185408 221051704 /nfs/dbraw/zinc/05/17/04/221051704.db2.gz XCODDLDYYBIDKY-ISVAXAHUSA-N 1 0 362.745 5.345 10 0 FKAERO C[C@@H]([NH3+])[C@@H](Sc1cccc(Cl)c1)c1ccc(Br)s1 ZINC000054185409 221050774 /nfs/dbraw/zinc/05/07/74/221050774.db2.gz XCODDLDYYBIDKY-AMIZOPFISA-N 1 0 362.745 5.345 10 0 FKAERO Cc1ccccc1CS[C@H](c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000054963886 221056383 /nfs/dbraw/zinc/05/63/83/221056383.db2.gz QVADSHPKTIWIGI-ABAIWWIYSA-N 1 0 356.354 5.141 10 0 FKAERO Cc1ccccc1CS[C@@H](c1cc(Br)cs1)[C@H](C)[NH3+] ZINC000054963887 221055946 /nfs/dbraw/zinc/05/59/46/221055946.db2.gz QVADSHPKTIWIGI-XHDPSFHLSA-N 1 0 356.354 5.141 10 0 FKAERO Cc1ccccc1CS[C@H](c1cc(Br)cs1)[C@H](C)[NH3+] ZINC000054963888 221056361 /nfs/dbraw/zinc/05/63/61/221056361.db2.gz QVADSHPKTIWIGI-NHYWBVRUSA-N 1 0 356.354 5.141 10 0 FKAERO Cc1cccc(CS[C@@H](c2cc(Br)cs2)[C@@H](C)[NH3+])c1 ZINC000054965508 221056428 /nfs/dbraw/zinc/05/64/28/221056428.db2.gz LVLNKUYDYMZFDF-IAQYHMDHSA-N 1 0 356.354 5.141 10 0 FKAERO Cc1cccc(CS[C@H](c2cc(Br)cs2)[C@@H](C)[NH3+])c1 ZINC000054965509 206337880 /nfs/dbraw/zinc/33/78/80/206337880.db2.gz LVLNKUYDYMZFDF-ABAIWWIYSA-N 1 0 356.354 5.141 10 0 FKAERO Cc1cccc(CS[C@@H](c2cc(Br)cs2)[C@H](C)[NH3+])c1 ZINC000054965510 221056121 /nfs/dbraw/zinc/05/61/21/221056121.db2.gz LVLNKUYDYMZFDF-XHDPSFHLSA-N 1 0 356.354 5.141 10 0 FKAERO Cc1cccc(CS[C@H](c2cc(Br)cs2)[C@H](C)[NH3+])c1 ZINC000054965511 221056324 /nfs/dbraw/zinc/05/63/24/221056324.db2.gz LVLNKUYDYMZFDF-NHYWBVRUSA-N 1 0 356.354 5.141 10 0 FKAERO CC[C@H]([NH3+])[C@H](Sc1cccc(Br)c1)c1ccc(C)s1 ZINC000055307135 221066071 /nfs/dbraw/zinc/06/60/71/221066071.db2.gz YIMKQWKVYSWDJY-ZFWWWQNUSA-N 1 0 356.354 5.390 10 0 FKAERO CC[C@@H]([NH3+])[C@H](Sc1cccc(Br)c1)c1ccc(C)s1 ZINC000055307137 221065833 /nfs/dbraw/zinc/06/58/33/221065833.db2.gz YIMKQWKVYSWDJY-HIFRSBDPSA-N 1 0 356.354 5.390 10 0 FKAERO CC[C@H]([NH3+])[C@@H](Sc1cccc(Br)c1)c1ccc(C)s1 ZINC000055307140 221066260 /nfs/dbraw/zinc/06/62/60/221066260.db2.gz YIMKQWKVYSWDJY-DZGCQCFKSA-N 1 0 356.354 5.390 10 0 FKAERO CC[C@@H]([NH3+])[C@@H](Sc1cccc(Br)c1)c1ccc(C)s1 ZINC000055307143 206373992 /nfs/dbraw/zinc/37/39/92/206373992.db2.gz YIMKQWKVYSWDJY-UKRRQHHQSA-N 1 0 356.354 5.390 10 0 FKAERO CC[C@@H]([NH3+])[C@H](Sc1cccc(Br)c1)c1sccc1C ZINC000055307409 206372253 /nfs/dbraw/zinc/37/22/53/206372253.db2.gz DYRLRTXPYZCTRB-HIFRSBDPSA-N 1 0 356.354 5.390 10 0 FKAERO CC[C@H]([NH3+])[C@@H](Sc1cccc(Br)c1)c1sccc1C ZINC000055307413 221066450 /nfs/dbraw/zinc/06/64/50/221066450.db2.gz DYRLRTXPYZCTRB-DZGCQCFKSA-N 1 0 356.354 5.390 10 0 FKAERO CC[C@@H]([NH3+])[C@@H](Sc1cccc(Br)c1)c1sccc1C ZINC000055307460 221066270 /nfs/dbraw/zinc/06/62/70/221066270.db2.gz DYRLRTXPYZCTRB-UKRRQHHQSA-N 1 0 356.354 5.390 10 0 FKAERO Cc1cccc(-c2ncc(C[NH2+][C@@H](CC(C)(C)C)c3cccnc3)cn2)c1 ZINC000055360090 571120010 /nfs/dbraw/zinc/12/00/10/571120010.db2.gz FEWVIFFCJWZKMU-NRFANRHFSA-N 1 0 360.505 5.114 10 0 FKAERO Cc1cccc(-c2ncc(C[NH2+][C@H](CC(C)(C)C)c3cccnc3)cn2)c1 ZINC000055360093 571119842 /nfs/dbraw/zinc/11/98/42/571119842.db2.gz FEWVIFFCJWZKMU-OAQYLSRUSA-N 1 0 360.505 5.114 10 0 FKAERO NC(=[NH2+])c1ccc2cc([C@@H]3C[C@H]3c3ccccc3)cc(-c3ccoc3)c2c1 ZINC000058542830 581097264 /nfs/dbraw/zinc/09/72/64/581097264.db2.gz YWICPAXCVQQOLK-GOTSBHOMSA-N 1 0 352.437 5.655 10 0 FKAERO Fc1ccc(-c2nn(-c3cc[nH+]cc3)c3ccc(C(F)(F)F)cc32)cc1 ZINC000059051506 212015589 /nfs/dbraw/zinc/01/55/89/212015589.db2.gz YCOFCTNUBAJWDO-UHFFFAOYSA-N 1 0 357.310 5.245 10 0 FKAERO Fc1ccc(-c2c3ccccc3n(C3CC[NH2+]CC3)c2Br)cc1 ZINC000059051551 212015891 /nfs/dbraw/zinc/01/58/91/212015891.db2.gz JJPWNAWSDZNHPQ-UHFFFAOYSA-N 1 0 373.269 5.134 10 0 FKAERO COc1ccc2c(c1Oc1ccccc1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC000059606293 205282034 /nfs/dbraw/zinc/28/20/34/205282034.db2.gz FGMSEQUOXWPSMD-DCLXLUIPSA-N 1 0 363.501 5.176 10 0 in-vitro FKAERO C[C@@H]([NH3+])c1ccc(Oc2ccccc2Br)c(Br)c1 ZINC000061698618 205287261 /nfs/dbraw/zinc/28/72/61/205287261.db2.gz BNNDRZJIWBVWSD-SECBINFHSA-N 1 0 371.072 5.024 10 0 FKAERO C[C@H]([NH3+])c1ccc(Oc2cccc(Br)c2)c(Br)c1 ZINC000061699137 212025769 /nfs/dbraw/zinc/02/57/69/212025769.db2.gz PJABFNSEQJVUAO-VIFPVBQESA-N 1 0 371.072 5.024 10 0 FKAERO c1ccc(C[N@H+]2CCC3(CN(Cc4ccc(-c5ccccc5)cc4)C3)C2)cc1 ZINC000063526896 221141377 /nfs/dbraw/zinc/14/13/77/221141377.db2.gz OSBWAVSRYUEJDP-UHFFFAOYSA-N 1 0 368.524 5.062 10 0 FKAERO C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000070136948 208134040 /nfs/dbraw/zinc/13/40/40/208134040.db2.gz PIMZQSLZSRHNMP-JTQLQIEISA-N 1 0 359.094 5.607 10 0 FKAERO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000070137566 208132313 /nfs/dbraw/zinc/13/23/13/208132313.db2.gz OZMLHZXRZIRQCF-SNVBAGLBSA-N 1 0 359.094 5.607 10 0 FKAERO [NH3+][C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)s1 ZINC000070579172 221332740 /nfs/dbraw/zinc/33/27/40/221332740.db2.gz UNRIGMBPEZWMKV-JTQLQIEISA-N 1 0 351.096 5.060 10 0 FKAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)s1 ZINC000070579173 221332618 /nfs/dbraw/zinc/33/26/18/221332618.db2.gz UNRIGMBPEZWMKV-SNVBAGLBSA-N 1 0 351.096 5.060 10 0 FKAERO CC[NH+]1CCN(c2cc3c(c(-c4ccc(F)cc4)c2)CCCCCC3)CC1 ZINC000071789454 136141149 /nfs/dbraw/zinc/14/11/49/136141149.db2.gz CPAVYKKIVKBTGX-UHFFFAOYSA-N 1 0 366.524 5.294 10 0 FKAERO Cn1cc(C[NH+]2CCC(F)(F)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072463374 571198045 /nfs/dbraw/zinc/19/80/45/571198045.db2.gz BUDKXHRPECOIKL-UHFFFAOYSA-N 1 0 373.491 5.366 10 0 FKAERO CC/C(=C(/c1ccc(O)cc1)c1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000077291475 571320993 /nfs/dbraw/zinc/32/09/93/571320993.db2.gz YCQBLTPGQSYLHD-WCWDXBQESA-N 1 0 359.469 5.099 10 0 in-vitro FKAERO CC(C)C(=O)Oc1ccccc1[C@@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000077312430 571277803 /nfs/dbraw/zinc/27/78/03/571277803.db2.gz ADCXRUVIYQTQJT-NRFANRHFSA-N 1 0 365.517 5.256 10 0 in-vitro FKAERO CC(C)C(=O)Oc1ccccc1[C@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000077312431 571277785 /nfs/dbraw/zinc/27/77/85/571277785.db2.gz ADCXRUVIYQTQJT-OAQYLSRUSA-N 1 0 365.517 5.256 10 0 in-vitro FKAERO FC(F)(F)c1nc2ccccc2n1C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095076849 209018077 /nfs/dbraw/zinc/01/80/77/209018077.db2.gz ZDMWAESHEWHJDJ-QGZVFWFLSA-N 1 0 373.422 5.110 10 0 FKAERO FC(F)(F)c1nc2ccccc2n1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095076850 205720741 /nfs/dbraw/zinc/72/07/41/205720741.db2.gz ZDMWAESHEWHJDJ-KRWDZBQOSA-N 1 0 373.422 5.110 10 0 FKAERO FC(F)(F)SC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1 ZINC000095918354 221972106 /nfs/dbraw/zinc/97/21/06/221972106.db2.gz PAYQRGUWYAKEDR-INIZCTEOSA-N 1 0 359.844 5.294 10 0 FKAERO CC(C)C[C@@H](CSC(F)(F)F)[NH2+]Cc1cccc(Br)c1 ZINC000095918382 209086670 /nfs/dbraw/zinc/08/66/70/209086670.db2.gz BJRDYGNCUHRLLW-ZDUSSCGKSA-N 1 0 370.278 5.206 10 0 FKAERO CC[C@H](C)[C@@H](CSC(F)(F)F)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000095918404 209087048 /nfs/dbraw/zinc/08/70/48/209087048.db2.gz RVIKYYISNDYLSJ-GXFFZTMASA-N 1 0 359.379 5.463 10 0 FKAERO C[NH+](C)CCCCCCCCCCCCCc1ccc(Cl)c(Cl)c1 ZINC000095934398 221974373 /nfs/dbraw/zinc/97/43/73/221974373.db2.gz XGYAAFGQCSPLMD-UHFFFAOYSA-N 1 0 372.424 7.389 10 0 FKAERO Cc1ccc(C[NH+]2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)s1 ZINC000096052554 222002691 /nfs/dbraw/zinc/00/26/91/222002691.db2.gz LMJMZWZGFXFWDK-UHFFFAOYSA-N 1 0 363.526 5.797 10 0 FKAERO Fc1ccc(C[NH+]2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)cc1 ZINC000096052555 222003318 /nfs/dbraw/zinc/00/33/18/222003318.db2.gz MEIHBTUKKHHGIG-UHFFFAOYSA-N 1 0 361.460 5.566 10 0 FKAERO Cc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2C[NH+]2CCCC2)cc1 ZINC000096292318 222112024 /nfs/dbraw/zinc/11/20/24/222112024.db2.gz GFMYWSMPPNFZRQ-UHFFFAOYSA-N 1 0 367.496 5.573 10 0 FKAERO Cc1c(C2CC[NH2+]CC2)c2ccccc2n1Cc1c(F)cccc1Cl ZINC000097673666 222204542 /nfs/dbraw/zinc/20/45/42/222204542.db2.gz HGLHVLPBFJPKGD-UHFFFAOYSA-N 1 0 356.872 5.258 10 0 FKAERO Cc1c(C2=CC[NH2+]CC2)c2ccccc2n1Cc1c(F)cccc1Cl ZINC000097694418 222206108 /nfs/dbraw/zinc/20/61/08/222206108.db2.gz BPQLEZNSZJBVSF-UHFFFAOYSA-N 1 0 354.856 5.167 10 0 FKAERO CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCC[NH+](C)C ZINC000098090315 222229370 /nfs/dbraw/zinc/22/93/70/222229370.db2.gz YLXASPMPBDPQLL-MURFETPASA-N 1 0 364.618 5.868 10 0 FKAERO CCCCC/C=C/C/C=C\CCCCCCCC(=O)NCCC[NH+](C)C ZINC000098090316 205935797 /nfs/dbraw/zinc/93/57/97/205935797.db2.gz YLXASPMPBDPQLL-UPDVNHGHSA-N 1 0 364.618 5.868 10 0 FKAERO CCCCC/C=C\C/C=C/CCCCCCCC(=O)NCCC[NH+](C)C ZINC000098090317 209206740 /nfs/dbraw/zinc/20/67/40/209206740.db2.gz YLXASPMPBDPQLL-UONSLQGUSA-N 1 0 364.618 5.868 10 0 FKAERO CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCC[NH+](C)C ZINC000098090318 209206355 /nfs/dbraw/zinc/20/63/55/209206355.db2.gz YLXASPMPBDPQLL-MVKOLZDDSA-N 1 0 364.618 5.868 10 0 FKAERO C[n+]1c2ccccc2sc1C(Cl)(c1ccccc1)c1ccccc1 ZINC000098178162 222230548 /nfs/dbraw/zinc/23/05/48/222230548.db2.gz WYSPFHCPYSXBRF-UHFFFAOYSA-N 1 0 350.894 5.257 10 0 FKAERO CCCC1=C(C(C)C)[NH2+]C(C(C)C)=C([C@@H](C)O)[C@H]1c1ccc(F)cc1O ZINC000100130110 209209421 /nfs/dbraw/zinc/20/94/21/209209421.db2.gz OINVVPOIGFSNHM-VLIAUNLRSA-N 1 0 361.501 5.219 10 0 FKAERO c1ccc(CCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000103229502 210243822 /nfs/dbraw/zinc/24/38/22/210243822.db2.gz OCKVNJXFPFUTLI-UHFFFAOYSA-N 1 0 370.540 5.026 10 0 FKAERO C[NH2+][C@H](Cc1cccc(Br)c1)c1cccc(Cl)c1Cl ZINC000103930953 222347485 /nfs/dbraw/zinc/34/74/85/222347485.db2.gz RMNJLXJKYUCJSF-CQSZACIVSA-N 1 0 359.094 5.259 10 0 FKAERO CCC[NH2+][C@@H](Cc1ccc(Br)s1)c1cccc(Cl)c1 ZINC000103943314 222346679 /nfs/dbraw/zinc/34/66/79/222346679.db2.gz DSYUPNPFCNBJLK-AWEZNQCLSA-N 1 0 358.732 5.447 10 0 FKAERO CCC[NH2+][C@H](Cc1ccc(Br)s1)c1cccc(Cl)c1 ZINC000103943320 222347494 /nfs/dbraw/zinc/34/74/94/222347494.db2.gz DSYUPNPFCNBJLK-CQSZACIVSA-N 1 0 358.732 5.447 10 0 FKAERO C[C@@]([NH3+])(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1 ZINC000103944522 222347227 /nfs/dbraw/zinc/34/72/27/222347227.db2.gz XPHABPPSOWBMTO-OAHLLOKOSA-N 1 0 359.094 5.173 10 0 FKAERO C[C@]([NH3+])(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1 ZINC000103944525 209498614 /nfs/dbraw/zinc/49/86/14/209498614.db2.gz XPHABPPSOWBMTO-HNNXBMFYSA-N 1 0 359.094 5.173 10 0 FKAERO CCC[NH2+][C@@H](Cc1sccc1Br)c1cccc(Cl)c1 ZINC000103944690 222347473 /nfs/dbraw/zinc/34/74/73/222347473.db2.gz AGVHHDQPQPSPGX-AWEZNQCLSA-N 1 0 358.732 5.447 10 0 FKAERO CCC[NH2+][C@H](Cc1sccc1Br)c1cccc(Cl)c1 ZINC000103944692 209498993 /nfs/dbraw/zinc/49/89/93/209498993.db2.gz AGVHHDQPQPSPGX-CQSZACIVSA-N 1 0 358.732 5.447 10 0 FKAERO C[NH2+][C@@H](Cc1ccccc1Br)c1cc(Cl)ccc1Cl ZINC000103944906 222347288 /nfs/dbraw/zinc/34/72/88/222347288.db2.gz XZMKIAGJSQNEFF-HNNXBMFYSA-N 1 0 359.094 5.259 10 0 FKAERO CC[NH2+][C@H](Cc1cc(Br)cs1)c1ccc(F)cc1Cl ZINC000103946712 222347047 /nfs/dbraw/zinc/34/70/47/222347047.db2.gz BKKCEGZGCDIGJL-CQSZACIVSA-N 1 0 362.695 5.196 10 0 FKAERO C[C@]([NH3+])(Cc1ccc(Cl)cc1Cl)c1ccccc1Br ZINC000103948022 222347362 /nfs/dbraw/zinc/34/73/62/222347362.db2.gz GFIQWDBPUNVEFA-HNNXBMFYSA-N 1 0 359.094 5.173 10 0 FKAERO C[C@@]([NH3+])(Cc1ccc(Cl)c(Cl)c1)c1ccccc1Br ZINC000103948028 222347385 /nfs/dbraw/zinc/34/73/85/222347385.db2.gz IHGATVNALKPDEN-OAHLLOKOSA-N 1 0 359.094 5.173 10 0 FKAERO CCC[NH2+][C@@H](C)c1ccc(-c2cc(Br)ccc2Cl)s1 ZINC000103949104 206235824 /nfs/dbraw/zinc/23/58/24/206235824.db2.gz VDNMFGBUANOTPQ-JTQLQIEISA-N 1 0 358.732 5.892 10 0 FKAERO CCC[NH2+][C@H](C)c1ccc(-c2cc(Br)ccc2Cl)s1 ZINC000103949109 222347462 /nfs/dbraw/zinc/34/74/62/222347462.db2.gz VDNMFGBUANOTPQ-SNVBAGLBSA-N 1 0 358.732 5.892 10 0 FKAERO CC[NH2+][C@@H](Cc1ccc(Br)s1)c1ccc(Cl)cc1F ZINC000103950118 222347268 /nfs/dbraw/zinc/34/72/68/222347268.db2.gz SKKAQOMWMPAHNY-ZDUSSCGKSA-N 1 0 362.695 5.196 10 0 FKAERO CC[NH2+][C@H](Cc1ccc(Br)s1)c1ccc(Cl)cc1F ZINC000103950123 222346634 /nfs/dbraw/zinc/34/66/34/222346634.db2.gz SKKAQOMWMPAHNY-CYBMUJFWSA-N 1 0 362.695 5.196 10 0 FKAERO CC[NH2+][C@H](CC)c1ccc(-c2cc(Br)ccc2Cl)s1 ZINC000103950724 222346807 /nfs/dbraw/zinc/34/68/07/222346807.db2.gz MEZKZWRMTLKXJT-CYBMUJFWSA-N 1 0 358.732 5.892 10 0 FKAERO CCCNc1c2cc(I)ccc2[nH+]c(C)c1C(C)C ZINC000103972628 222347089 /nfs/dbraw/zinc/34/70/89/222347089.db2.gz WEDTYRBZGCJNEL-UHFFFAOYSA-N 1 0 368.262 5.093 10 0 FKAERO CC(C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000103972918 222346625 /nfs/dbraw/zinc/34/66/25/222346625.db2.gz LWXKIFHXSXSFBI-NSHDSACASA-N 1 0 363.137 5.298 10 0 FKAERO CC(C)CCC[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000103972924 222346876 /nfs/dbraw/zinc/34/68/76/222346876.db2.gz LWXKIFHXSXSFBI-LLVKDONJSA-N 1 0 363.137 5.298 10 0 FKAERO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000103978776 222347597 /nfs/dbraw/zinc/34/75/97/222347597.db2.gz ZGVSGVBXXZKPFD-JQWIXIFHSA-N 1 0 363.137 5.441 10 0 FKAERO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000103978780 222346534 /nfs/dbraw/zinc/34/65/34/222346534.db2.gz ZGVSGVBXXZKPFD-ZYHUDNBSSA-N 1 0 363.137 5.441 10 0 FKAERO CCC[C@H](CC)[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000103978782 222346986 /nfs/dbraw/zinc/34/69/86/222346986.db2.gz ZGVSGVBXXZKPFD-PWSUYJOCSA-N 1 0 363.137 5.441 10 0 FKAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(Br)cc1Br ZINC000103987510 222347545 /nfs/dbraw/zinc/34/75/45/222347545.db2.gz JNHWAGOYMCOANS-BHDSKKPTSA-N 1 0 361.121 5.051 10 0 FKAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(Br)cc1Br ZINC000103987515 222347233 /nfs/dbraw/zinc/34/72/33/222347233.db2.gz JNHWAGOYMCOANS-ISTVAULSSA-N 1 0 361.121 5.051 10 0 FKAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000103998156 222348853 /nfs/dbraw/zinc/34/88/53/222348853.db2.gz WTUHODVEZJKXDP-CYBMUJFWSA-N 1 0 358.732 5.447 10 0 FKAERO [NH3+][C@@H](c1ccc(Cl)cc1Cl)c1cc(Br)ccc1Cl ZINC000104002570 222348071 /nfs/dbraw/zinc/34/80/71/222348071.db2.gz REKXTIMZRLXNFM-ZDUSSCGKSA-N 1 0 365.485 5.457 10 0 FKAERO [NH3+][C@H](c1ccc(Cl)cc1Cl)c1cc(Br)ccc1Cl ZINC000104002572 209258715 /nfs/dbraw/zinc/25/87/15/209258715.db2.gz REKXTIMZRLXNFM-CYBMUJFWSA-N 1 0 365.485 5.457 10 0 FKAERO CC(C)[NH2+]CCCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000104005366 222348838 /nfs/dbraw/zinc/34/88/38/222348838.db2.gz HDUXQFPVQSFRCK-UHFFFAOYSA-N 1 0 365.515 5.721 10 0 FKAERO CC[NH2+]CCCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000104006703 222348133 /nfs/dbraw/zinc/34/81/33/222348133.db2.gz CTTMKMFCCOIYEN-UHFFFAOYSA-N 1 0 351.488 5.332 10 0 FKAERO CCCC[NH2+]CCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000104006708 206236609 /nfs/dbraw/zinc/23/66/09/206236609.db2.gz LENSHGONUMYOJK-UHFFFAOYSA-N 1 0 365.515 5.722 10 0 FKAERO C[N@@H+]1CCCC[C@@H]1CCNc1c(Cl)cc(Br)cc1Cl ZINC000104007150 222349016 /nfs/dbraw/zinc/34/90/16/222349016.db2.gz CTOZWPHNUMMKFL-LLVKDONJSA-N 1 0 366.130 5.042 10 0 FKAERO CC[NH2+][C@@H](c1ccc(Br)s1)c1cc2c(s1)CCCC2 ZINC000104007730 222349258 /nfs/dbraw/zinc/34/92/58/222349258.db2.gz XXFXMJZLLWLVLB-HNNXBMFYSA-N 1 0 356.354 5.150 10 0 FKAERO CCNc1cc(C(C)C)nc2c(Br)cc(Br)cc12 ZINC000104008307 209258431 /nfs/dbraw/zinc/25/84/31/209258431.db2.gz FZSNJLQNNNIVEA-UHFFFAOYSA-N 1 0 372.104 5.315 10 0 FKAERO C[NH2+][C@H](Cc1cccc(Br)c1)c1ccc(Cl)cc1Cl ZINC000104009345 222348568 /nfs/dbraw/zinc/34/85/68/222348568.db2.gz GUJGANORAMMEGX-OAHLLOKOSA-N 1 0 359.094 5.259 10 0 FKAERO C[NH2+][C@H](c1ccc(Br)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000104014397 222348208 /nfs/dbraw/zinc/34/82/08/222348208.db2.gz IBJHAXDHARMFEY-AWEZNQCLSA-N 1 0 363.057 5.204 10 0 FKAERO CCC[NH2+][C@@H](c1ccc(Br)s1)c1ccc(C)c(Cl)c1 ZINC000104018306 222349236 /nfs/dbraw/zinc/34/92/36/222349236.db2.gz HPTOKTVMGRCBBP-OAHLLOKOSA-N 1 0 358.732 5.561 10 0 FKAERO CC[NH2+][C@H](c1cccc(Br)c1)c1ccc(Cl)cc1Cl ZINC000104020401 222348450 /nfs/dbraw/zinc/34/84/50/222348450.db2.gz FTESOSQWUJEWPS-OAHLLOKOSA-N 1 0 359.094 5.455 10 0 FKAERO Brc1cc(C[NH2+]C2CCCCCCC2)oc1Br ZINC000104032818 222348925 /nfs/dbraw/zinc/34/89/25/222348925.db2.gz FBVBBVRUQOFFFM-UHFFFAOYSA-N 1 0 365.109 5.007 10 0 FKAERO C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000104035443 222348282 /nfs/dbraw/zinc/34/82/82/222348282.db2.gz KSWGIHNNICETHU-QWRGUYRKSA-N 1 0 358.732 5.446 10 0 FKAERO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000104035448 206235721 /nfs/dbraw/zinc/23/57/21/206235721.db2.gz KSWGIHNNICETHU-MNOVXSKESA-N 1 0 358.732 5.446 10 0 FKAERO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1Cl)c1ccc(Br)s1 ZINC000104035453 222349145 /nfs/dbraw/zinc/34/91/45/222349145.db2.gz KSWGIHNNICETHU-WDEREUQCSA-N 1 0 358.732 5.446 10 0 FKAERO C[C@H]([NH3+])[C@@H](Sc1ccccc1Cl)c1ccccc1Br ZINC000104170995 206236358 /nfs/dbraw/zinc/23/63/58/206236358.db2.gz OWSHVPJKCKUQQY-ZUZCIYMTSA-N 1 0 356.716 5.283 10 0 FKAERO C[C@@H]([NH3+])[C@@H](Sc1ccccc1Cl)c1ccccc1Br ZINC000104170998 206236103 /nfs/dbraw/zinc/23/61/03/206236103.db2.gz OWSHVPJKCKUQQY-MEBBXXQBSA-N 1 0 356.716 5.283 10 0 FKAERO C[NH2+][C@@H](C)c1ccc(Sc2ccccc2Br)c(Cl)c1 ZINC000104171094 206235848 /nfs/dbraw/zinc/23/58/48/206235848.db2.gz DGSBJYRVRXCWPO-JTQLQIEISA-N 1 0 356.716 5.534 10 0 FKAERO C[NH2+][C@H](C)c1ccc(Sc2ccccc2Br)c(Cl)c1 ZINC000104171098 206235616 /nfs/dbraw/zinc/23/56/16/206235616.db2.gz DGSBJYRVRXCWPO-SNVBAGLBSA-N 1 0 356.716 5.534 10 0 FKAERO C[NH2+][C@H](C)c1ccc(Sc2ccc(Br)cc2)c(Cl)c1 ZINC000104171110 206235547 /nfs/dbraw/zinc/23/55/47/206235547.db2.gz LAFYLQSXEYICIU-SNVBAGLBSA-N 1 0 356.716 5.534 10 0 FKAERO C[C@H]([NH3+])[C@H](Sc1ccccc1Cl)c1cccc(Br)c1 ZINC000104172245 206235588 /nfs/dbraw/zinc/23/55/88/206235588.db2.gz ZNKFXIDDSYENRX-BONVTDFDSA-N 1 0 356.716 5.283 10 0 FKAERO C[C@@H]([NH3+])[C@H](Sc1ccccc1Cl)c1cccc(Br)c1 ZINC000104172248 209499562 /nfs/dbraw/zinc/49/95/62/209499562.db2.gz ZNKFXIDDSYENRX-BMIGLBTASA-N 1 0 356.716 5.283 10 0 FKAERO C[C@@H]([NH3+])[C@H](Sc1ccccc1Br)c1cccc(Cl)c1 ZINC000104173565 206236190 /nfs/dbraw/zinc/23/61/90/206236190.db2.gz KNBLOAYFBJPJBM-BMIGLBTASA-N 1 0 356.716 5.283 10 0 FKAERO C[C@H]([NH3+])[C@@H](Sc1ccccc1Br)c1cccc(Cl)c1 ZINC000104173567 206235620 /nfs/dbraw/zinc/23/56/20/206235620.db2.gz KNBLOAYFBJPJBM-ZUZCIYMTSA-N 1 0 356.716 5.283 10 0 FKAERO C[C@@H]([NH3+])c1ccc(Oc2cccc(Cl)c2Cl)c(Br)c1 ZINC000104177278 206236178 /nfs/dbraw/zinc/23/61/78/206236178.db2.gz GYDQYKYMNJQPNA-MRVPVSSYSA-N 1 0 361.066 5.568 10 0 FKAERO C[C@H]([NH3+])c1ccc(Oc2cc(Cl)cc(Cl)c2)c(Br)c1 ZINC000104177293 206236579 /nfs/dbraw/zinc/23/65/79/206236579.db2.gz UIIUPEWFGZGYHA-QMMMGPOBSA-N 1 0 361.066 5.568 10 0 FKAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000104178611 206235518 /nfs/dbraw/zinc/23/55/18/206235518.db2.gz YFFWIDUAXGRMOV-MRVPVSSYSA-N 1 0 361.066 5.568 10 0 FKAERO C[NH2+][C@@H](C)c1ccc(Sc2cccc(Br)c2)c(Cl)c1 ZINC000104178656 206236097 /nfs/dbraw/zinc/23/60/97/206236097.db2.gz PANLHTAREBXEKY-JTQLQIEISA-N 1 0 356.716 5.534 10 0 FKAERO [NH3+][C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)c(F)c1 ZINC000104184461 206235949 /nfs/dbraw/zinc/23/59/49/206235949.db2.gz WGCMACSDXMLHNC-AWEZNQCLSA-N 1 0 363.057 5.138 10 0 FKAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)c(F)c1 ZINC000104184464 206236034 /nfs/dbraw/zinc/23/60/34/206236034.db2.gz WGCMACSDXMLHNC-CQSZACIVSA-N 1 0 363.057 5.138 10 0 FKAERO C[NH2+][C@@H](Cc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 ZINC000104185464 206235992 /nfs/dbraw/zinc/23/59/92/206235992.db2.gz GKQSPGLXNRYTCS-HNNXBMFYSA-N 1 0 359.094 5.259 10 0 FKAERO C[NH2+][C@H](Cc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 ZINC000104185465 222353001 /nfs/dbraw/zinc/35/30/01/222353001.db2.gz GKQSPGLXNRYTCS-OAHLLOKOSA-N 1 0 359.094 5.259 10 0 FKAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1F ZINC000104185471 222352246 /nfs/dbraw/zinc/35/22/46/222352246.db2.gz YWOUNFIUGSFWJI-CQSZACIVSA-N 1 0 363.057 5.138 10 0 FKAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)c1cc(F)cc(Br)c1 ZINC000104185477 222352941 /nfs/dbraw/zinc/35/29/41/222352941.db2.gz SNDRRJPGVPOQMZ-CQSZACIVSA-N 1 0 363.057 5.138 10 0 FKAERO [NH3+]CCc1ccc(Br)cc1Oc1cccc(Cl)c1Cl ZINC000104286741 222353808 /nfs/dbraw/zinc/35/38/08/222353808.db2.gz MCEIAMWCMQDDEZ-UHFFFAOYSA-N 1 0 361.066 5.049 10 0 FKAERO CC[NH2+]Cc1ccc(Br)cc1Sc1ccc(Cl)cc1 ZINC000104288500 222353547 /nfs/dbraw/zinc/35/35/47/222353547.db2.gz GTLHOHYWEAPCFD-UHFFFAOYSA-N 1 0 356.716 5.363 10 0 FKAERO C[C@H]([NH3+])Cc1ccc(Br)cc1Sc1cccc(Cl)c1 ZINC000104288961 222353957 /nfs/dbraw/zinc/35/39/57/222353957.db2.gz ZBDJCRQVSZKVIE-JTQLQIEISA-N 1 0 356.716 5.143 10 0 FKAERO C[C@@H]([NH3+])Cc1ccc(Br)cc1Sc1cccc(Cl)c1 ZINC000104288966 222353763 /nfs/dbraw/zinc/35/37/63/222353763.db2.gz ZBDJCRQVSZKVIE-SNVBAGLBSA-N 1 0 356.716 5.143 10 0 FKAERO [NH3+]CCc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1 ZINC000104289128 206237267 /nfs/dbraw/zinc/23/72/67/206237267.db2.gz YNMLZDQGBFXHCR-UHFFFAOYSA-N 1 0 361.066 5.049 10 0 FKAERO CC[NH2+][C@@H](c1sccc1Br)c1ccc(Cl)c(Cl)c1 ZINC000104289227 222354220 /nfs/dbraw/zinc/35/42/20/222354220.db2.gz AABHDFZLGSYWCC-GFCCVEGCSA-N 1 0 365.123 5.516 10 0 FKAERO CC(C)(C)[NH2+]Cc1ccc(Br)cc1Sc1cccs1 ZINC000104290776 222354163 /nfs/dbraw/zinc/35/41/63/222354163.db2.gz NJVRDJDJNPVVLJ-UHFFFAOYSA-N 1 0 356.354 5.550 10 0 FKAERO CC[NH2+]Cc1ccc(Br)cc1Sc1ccccc1Cl ZINC000104290826 222353794 /nfs/dbraw/zinc/35/37/94/222353794.db2.gz DSXFHHGJHVSSAR-UHFFFAOYSA-N 1 0 356.716 5.363 10 0 FKAERO C[C@H]([NH3+])Cc1ccc(Br)cc1Sc1ccccc1Cl ZINC000104293807 206238651 /nfs/dbraw/zinc/23/86/51/206238651.db2.gz WQTCMJQTBSMSON-JTQLQIEISA-N 1 0 356.716 5.143 10 0 FKAERO [NH3+]CCc1ccc(Br)cc1Oc1cc(Cl)ccc1Cl ZINC000104293855 209498857 /nfs/dbraw/zinc/49/88/57/209498857.db2.gz XNCSXBFYAQDAOQ-UHFFFAOYSA-N 1 0 361.066 5.049 10 0 FKAERO [NH3+]CCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1 ZINC000104298976 206237514 /nfs/dbraw/zinc/23/75/14/206237514.db2.gz KROXIKNMGDHGPR-UHFFFAOYSA-N 1 0 361.066 5.049 10 0 FKAERO C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)c1sccc1Br ZINC000104300226 222355220 /nfs/dbraw/zinc/35/52/20/222355220.db2.gz XCXMLEZVXRFOQN-LBPRGKRZSA-N 1 0 365.123 5.321 10 0 FKAERO C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)c1sccc1Br ZINC000104300229 222356429 /nfs/dbraw/zinc/35/64/29/222356429.db2.gz XCXMLEZVXRFOQN-GFCCVEGCSA-N 1 0 365.123 5.321 10 0 FKAERO Clc1ccc2[nH]c(C3=CC[N@H+](Cc4ccccc4Cl)CC3)nc2c1 ZINC000138164493 571127661 /nfs/dbraw/zinc/12/76/61/571127661.db2.gz IYRKNYURFAHXPY-UHFFFAOYSA-N 1 0 358.272 5.159 10 0 FKAERO Clc1cc2nc(C3=CC[N@H+](Cc4ccccc4)CC3)oc2c(Cl)c1 ZINC000226250442 571276082 /nfs/dbraw/zinc/27/60/82/571276082.db2.gz ALVPHUYXCOYVOG-UHFFFAOYSA-N 1 0 359.256 5.424 10 0 FKAERO c1ccc(C[N@H+]2CC=C(c3nc4cc(-c5ccccc5)ccc4o3)CC2)cc1 ZINC000226250461 571276037 /nfs/dbraw/zinc/27/60/37/571276037.db2.gz RXPFQCADZQSCMF-UHFFFAOYSA-N 1 0 366.464 5.784 10 0 FKAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21)c1cccc(Cl)c1 ZINC000248274561 568517667 /nfs/dbraw/zinc/51/76/67/568517667.db2.gz XUYHUKNALXFKLK-CABCVRRESA-N 1 0 352.865 5.171 10 0 FKAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc2ccccc21 ZINC000248274563 568517741 /nfs/dbraw/zinc/51/77/41/568517741.db2.gz XUYHUKNALXFKLK-GJZGRUSLSA-N 1 0 352.865 5.171 10 0 FKAERO CC1CCN(c2cc(N3C(C)(C)CCCC3(C)C)c3ccccc3[nH+]2)CC1 ZINC000253495308 132293761 /nfs/dbraw/zinc/29/37/61/132293761.db2.gz YCIHJIODMVJOOE-UHFFFAOYSA-N 1 0 365.565 6.019 10 0 FKAERO Nc1c[nH+]ccc1NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000261507672 571318528 /nfs/dbraw/zinc/31/85/28/571318528.db2.gz KYRTWSOVBQVRKM-UHFFFAOYSA-N 1 0 351.453 5.068 10 0 FKAERO CCC[C@@]1([NH+]2CCC(C)(C)CC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265637 570539798 /nfs/dbraw/zinc/53/97/98/570539798.db2.gz QWCZPHAJOBWCIG-OAQYLSRUSA-N 1 0 352.563 5.068 10 0 FKAERO FC1(F)CCC(CC[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000725268946 570541826 /nfs/dbraw/zinc/54/18/26/570541826.db2.gz IDZAZWZFPCTDJE-UHFFFAOYSA-N 1 0 366.677 5.408 10 0 FKAERO FC1(F)CCC(CC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000725269261 570541832 /nfs/dbraw/zinc/54/18/32/570541832.db2.gz NPACCRRMOYZXOS-UHFFFAOYSA-N 1 0 366.677 5.408 10 0 FKAERO FC1(F)CCC(CC[NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000725269435 570541759 /nfs/dbraw/zinc/54/17/59/570541759.db2.gz UBMXEZABDFGWBW-UHFFFAOYSA-N 1 0 366.677 5.408 10 0 FKAERO