smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329005956 210128638 /nfs/dbraw/zinc/12/86/38/210128638.db2.gz LBHPARRWUBCIQM-UHFFFAOYSA-N 1 2 366.387 4.547 40 0 FJABLO CC(C)(C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328977372 210126253 /nfs/dbraw/zinc/12/62/53/210126253.db2.gz FTSWATWQRYTILA-UHFFFAOYSA-N 1 2 366.387 4.629 40 0 FJABLO FC(F)(F)c1cccc(C[N@H+](Cc2ccncc2)Cc2cccnc2)c1 ZINC000013989640 206307289 /nfs/dbraw/zinc/30/72/89/206307289.db2.gz AVOPNFJWVNZIIP-UHFFFAOYSA-N 1 2 357.379 4.698 40 0 FJABLO FC(F)(F)c1cccc(C[N@@H+](Cc2ccncc2)Cc2cccnc2)c1 ZINC000013989640 206307293 /nfs/dbraw/zinc/30/72/93/206307293.db2.gz AVOPNFJWVNZIIP-UHFFFAOYSA-N 1 2 357.379 4.698 40 0 FJABLO COc1cc2c(cc1OC)C(C13C[C@H]4C[C@H](CC(Cl)(C4)C1)C3)=[NH+]CC2 ZINC000018155439 206324387 /nfs/dbraw/zinc/32/43/87/206324387.db2.gz JZAAMTICFFUNDT-ZXPDZVFASA-N 1 2 359.897 4.627 40 0 FJABLO COc1cccc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)cs2)c1OC ZINC000019240248 211212757 /nfs/dbraw/zinc/21/27/57/211212757.db2.gz HBALXEQLZHSYAY-MRXNPFEDSA-N 1 2 374.531 4.604 40 0 FJABLO CC[C@H](C)Nc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213498 570528915 /nfs/dbraw/zinc/52/89/15/570528915.db2.gz IXCZFSKNFMMGRP-QFBILLFUSA-N 1 2 353.466 4.766 40 0 FJABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213953 570529449 /nfs/dbraw/zinc/52/94/49/570529449.db2.gz DCIGVMAQQVMNTR-HXUWFJFHSA-N 1 2 365.477 4.910 40 0 FJABLO COc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000242964241 570609926 /nfs/dbraw/zinc/60/99/26/570609926.db2.gz HKQTXODIVLFVOT-UHFFFAOYSA-N 1 2 362.477 4.975 40 0 FJABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)c(OC)c1 ZINC000244145337 570610405 /nfs/dbraw/zinc/61/04/05/570610405.db2.gz URRKFRXNMFBKKZ-UHFFFAOYSA-N 1 2 364.449 4.725 40 0 FJABLO COc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)cs2)c(OC)c1 ZINC000019240235 570884238 /nfs/dbraw/zinc/88/42/38/570884238.db2.gz UVSMMHZHVKDJLC-QGZVFWFLSA-N 1 2 374.531 4.604 40 0 FJABLO CC(C)c1nc2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)o3)cc2s1 ZINC000019453857 570889299 /nfs/dbraw/zinc/88/92/99/570889299.db2.gz QHFHXEAZGQTKKP-UHFFFAOYSA-N 1 2 366.446 4.510 40 0 FJABLO Cc1nn([C@@H](C)Cn2c[nH+]cc2-c2cnn(C3CCCCC3)c2)c(C)c1C ZINC000019654573 570896780 /nfs/dbraw/zinc/89/67/80/570896780.db2.gz LFMIKNPACNPSHY-HNNXBMFYSA-N 1 2 366.513 4.635 40 0 FJABLO Cc1ccccc1C(=O)Nc1cc([NH+]2[C@H](C)CCC[C@H]2C)c(C)cc1N ZINC000216866247 571149566 /nfs/dbraw/zinc/14/95/66/571149566.db2.gz JUPXHTLMCATPMA-IAGOWNOFSA-N 1 2 351.494 4.905 40 0 FJABLO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Oc1ccc2ccccc2c1 ZINC000069593548 571156343 /nfs/dbraw/zinc/15/63/43/571156343.db2.gz HSBOMOPWAXYUFV-UHFFFAOYSA-N 1 2 359.469 4.700 40 0 FJABLO CC(C)(C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329050040 210133087 /nfs/dbraw/zinc/13/30/87/210133087.db2.gz USAJPSQSTXZBEK-UHFFFAOYSA-N 1 2 350.388 4.749 40 0 FJABLO CC(C)Nc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329023064 210131363 /nfs/dbraw/zinc/13/13/63/210131363.db2.gz ORUBTDUHLJNNFP-UHFFFAOYSA-N 1 2 373.287 4.858 40 0 FJABLO Cc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000329031273 210130934 /nfs/dbraw/zinc/13/09/34/210130934.db2.gz QIFXHHFGAIEEHO-UHFFFAOYSA-N 1 2 358.489 4.784 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2c(C)cc(C)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000329002744 210128685 /nfs/dbraw/zinc/12/86/85/210128685.db2.gz KICJWXNOJUKPEC-SFHVURJKSA-N 1 2 360.505 4.867 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2cccc(SC)c2)cc(-c2ccccc2)[nH+]1 ZINC000328994394 210128409 /nfs/dbraw/zinc/12/84/09/210128409.db2.gz JCZUFUWRAFROIC-OAHLLOKOSA-N 1 2 364.518 4.663 40 0 FJABLO Fc1ccccc1Cc1cnc([C@@H]2CCC[N@H+]2Cc2ccccc2F)o1 ZINC000257264312 223042880 /nfs/dbraw/zinc/04/28/80/223042880.db2.gz LTWDTNPLKXMFLI-FQEVSTJZSA-N 1 2 354.400 4.881 40 0 FJABLO Fc1ccccc1Cc1cnc([C@@H]2CCC[N@@H+]2Cc2ccccc2F)o1 ZINC000257264312 223042884 /nfs/dbraw/zinc/04/28/84/223042884.db2.gz LTWDTNPLKXMFLI-FQEVSTJZSA-N 1 2 354.400 4.881 40 0 FJABLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000044906138 205115194 /nfs/dbraw/zinc/11/51/94/205115194.db2.gz WMRXZAOVEHQMJO-KRWDZBQOSA-N 1 2 361.489 4.720 40 0 FJABLO CC1CC[NH+]([C@H](c2nnnn2C2CCCCC2)c2ccc(Cl)cc2)CC1 ZINC000004847715 206181045 /nfs/dbraw/zinc/18/10/45/206181045.db2.gz DOWXVRWRPCGKTB-IBGZPJMESA-N 1 2 373.932 4.653 40 0 FJABLO Cc1cccc2cc3c(nc12)OCC[N@H+](CCc1ccc(Cl)cc1)C3 ZINC000013563765 206304171 /nfs/dbraw/zinc/30/41/71/206304171.db2.gz QUJZKDPVNVUWJB-UHFFFAOYSA-N 1 2 352.865 4.634 40 0 FJABLO Cc1cccc2cc3c(nc12)OCC[N@@H+](CCc1ccc(Cl)cc1)C3 ZINC000013563765 206304174 /nfs/dbraw/zinc/30/41/74/206304174.db2.gz QUJZKDPVNVUWJB-UHFFFAOYSA-N 1 2 352.865 4.634 40 0 FJABLO CCOC(=O)c1c[nH+]c2cc3c(cc2c1Nc1cccc(Cl)c1)OCO3 ZINC000001586152 210360832 /nfs/dbraw/zinc/36/08/32/210360832.db2.gz MQTOBYOJIOLVLI-UHFFFAOYSA-N 1 2 370.792 4.537 40 0 FJABLO Cc1nc(Nc2cccc(Cl)c2)cc(N2CCc3ccccc3C2)[nH+]1 ZINC000243460605 132250086 /nfs/dbraw/zinc/25/00/86/132250086.db2.gz NGXADZBJCWPDFW-UHFFFAOYSA-N 1 2 350.853 4.745 40 0 FJABLO Cc1nc(N2CCc3ccccc3C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000243460605 132250088 /nfs/dbraw/zinc/25/00/88/132250088.db2.gz NGXADZBJCWPDFW-UHFFFAOYSA-N 1 2 350.853 4.745 40 0 FJABLO COc1ccc2c(c1)CCN(c1cc(Nc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000329008984 132372356 /nfs/dbraw/zinc/37/23/56/132372356.db2.gz LTZJBESSCCYQHK-UHFFFAOYSA-N 1 2 372.472 4.669 40 0 FJABLO COc1ccc2c(c1)CCN(c1cc(Nc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000329008984 132372357 /nfs/dbraw/zinc/37/23/57/132372357.db2.gz LTZJBESSCCYQHK-UHFFFAOYSA-N 1 2 372.472 4.669 40 0 FJABLO CCc1cc(N2CCc3cc(Cl)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329034752 132372911 /nfs/dbraw/zinc/37/29/11/132372911.db2.gz QZLXZMDUSBNBEJ-UHFFFAOYSA-N 1 2 364.880 4.999 40 0 FJABLO S=c1n(C[NH+]2CCCC2)nc(-c2ccccc2Cl)n1-c1ccccc1 ZINC000059474389 263420435 /nfs/dbraw/zinc/42/04/35/263420435.db2.gz CWEOUDNURVUDHG-UHFFFAOYSA-N 1 2 370.909 4.777 40 0 FJABLO COc1ccc(C(=O)CN(c2ccc(Cl)cc2)C2=[NH+]CCCC2)cc1 ZINC000007275402 568230985 /nfs/dbraw/zinc/23/09/85/568230985.db2.gz KQCMMTSHTXANAL-UHFFFAOYSA-N 1 2 356.853 4.620 40 0 FJABLO Cc1[nH+]c(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccn23)cn1C(C)C ZINC000096154950 570478116 /nfs/dbraw/zinc/47/81/16/570478116.db2.gz CRTVCAUNVOANDI-MRXNPFEDSA-N 1 2 364.493 4.707 40 0 FJABLO CC(C)N(c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]1)C(C)C ZINC000072212963 570528368 /nfs/dbraw/zinc/52/83/68/570528368.db2.gz NSDSGTSJZHMRLH-FQEVSTJZSA-N 1 2 351.494 4.682 40 0 FJABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213808 570528889 /nfs/dbraw/zinc/52/88/89/570528889.db2.gz ITXVKPFLHQHDFK-LJQANCHMSA-N 1 2 351.450 4.520 40 0 FJABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215953 570533342 /nfs/dbraw/zinc/53/33/42/570533342.db2.gz OHDLWOKTXQLCHL-FQEVSTJZSA-N 1 2 365.477 4.546 40 0 FJABLO COc1ccc(OC)c(C[NH2+][C@H](Cc2ccsc2)c2nc(C)cs2)c1 ZINC000019240214 570884324 /nfs/dbraw/zinc/88/43/24/570884324.db2.gz ZNWNCICNVRBRSI-QGZVFWFLSA-N 1 2 374.531 4.604 40 0 FJABLO Cc1ccc([N@H+](C)CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000224982153 571008925 /nfs/dbraw/zinc/00/89/25/571008925.db2.gz ZRQUNMJCEXVSRA-UHFFFAOYSA-N 1 2 372.512 4.847 40 0 FJABLO Cc1ccc([N@@H+](C)CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000224982153 571008926 /nfs/dbraw/zinc/00/89/26/571008926.db2.gz ZRQUNMJCEXVSRA-UHFFFAOYSA-N 1 2 372.512 4.847 40 0 FJABLO O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030941460 571052822 /nfs/dbraw/zinc/05/28/22/571052822.db2.gz VQTLBKKBQHDNOG-UHFFFAOYSA-N 1 2 369.424 4.976 40 0 FJABLO Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000329049044 571108752 /nfs/dbraw/zinc/10/87/52/571108752.db2.gz UMRPYGYVSXVIIY-UHFFFAOYSA-N 1 2 352.869 4.513 40 0 FJABLO CC(C)(C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329072155 571109849 /nfs/dbraw/zinc/10/98/49/571109849.db2.gz ZVGCINFGFFWAKC-UHFFFAOYSA-N 1 2 368.431 4.666 40 0 FJABLO Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000076556325 571204984 /nfs/dbraw/zinc/20/49/84/571204984.db2.gz IVWMUACRHHQSPC-IBGZPJMESA-N 1 2 364.489 4.832 40 0 FJABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cc2cc(C)oc2c(Cl)c1 ZINC000141579001 571307216 /nfs/dbraw/zinc/30/72/16/571307216.db2.gz DOXBRWPKINUMRA-UHFFFAOYSA-N 1 2 367.836 4.945 40 0 FJABLO CC(C)(C)Nc1nc(NCc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328987074 210128490 /nfs/dbraw/zinc/12/84/90/210128490.db2.gz IAMHLXUOGBIJCP-UHFFFAOYSA-N 1 2 350.441 4.527 40 0 FJABLO COc1ccccc1N(CC(=O)c1ccc(C)cc1)C1=[NH+]CCCCC1 ZINC000008411473 210097955 /nfs/dbraw/zinc/09/79/55/210097955.db2.gz SOPQVYGWWTVOCN-UHFFFAOYSA-N 1 2 350.462 4.665 40 0 FJABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc2c(ccc3ccccc23)o1 ZINC000044884504 205112722 /nfs/dbraw/zinc/11/27/22/205112722.db2.gz UOYWNLNNNOEYLS-UHFFFAOYSA-N 1 2 367.408 4.702 40 0 FJABLO c1ccc(CCNc2nc(NCCc3ccccc3)c3ccccc3[nH+]2)cc1 ZINC000016479411 220185818 /nfs/dbraw/zinc/18/58/18/220185818.db2.gz OGJHNXHVLVXBSB-UHFFFAOYSA-N 1 2 368.484 4.939 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)[nH+]1 ZINC000243295669 206117258 /nfs/dbraw/zinc/11/72/58/206117258.db2.gz LFVQJGZGCYAIAG-AWEZNQCLSA-N 1 2 362.433 4.826 40 0 FJABLO CC(C)c1[nH+]c2ccccc2n1C[C@@H](O)COc1cccc2ccccc21 ZINC000000889961 206138572 /nfs/dbraw/zinc/13/85/72/206138572.db2.gz XIXICLMFQXDNBM-GOSISDBHSA-N 1 2 360.457 4.753 40 0 FJABLO COc1ccccc1C[N@@H+]1CCCC[C@H]1c1nnc(-c2ccsc2)o1 ZINC000019570422 211235655 /nfs/dbraw/zinc/23/56/55/211235655.db2.gz HKGODNFOZAJXFL-INIZCTEOSA-N 1 2 355.463 4.534 40 0 FJABLO COc1ccccc1C[N@H+]1CCCC[C@H]1c1nnc(-c2ccsc2)o1 ZINC000019570422 211235661 /nfs/dbraw/zinc/23/56/61/211235661.db2.gz HKGODNFOZAJXFL-INIZCTEOSA-N 1 2 355.463 4.534 40 0 FJABLO Oc1ccc(C2N(Cc3ccccc3)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000019328403 211216207 /nfs/dbraw/zinc/21/62/07/211216207.db2.gz PYINUCFIFKMXFL-UHFFFAOYSA-N 1 2 358.485 4.799 40 0 FJABLO Oc1ccc(C2N(Cc3ccccc3)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000019328403 211216210 /nfs/dbraw/zinc/21/62/10/211216210.db2.gz PYINUCFIFKMXFL-UHFFFAOYSA-N 1 2 358.485 4.799 40 0 FJABLO CCSc1ccccc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219864031 132275127 /nfs/dbraw/zinc/27/51/27/132275127.db2.gz YOLINRMHFMFPBG-UHFFFAOYSA-N 1 2 354.519 4.962 40 0 FJABLO CCCNc1[nH+]cccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072213165 570528594 /nfs/dbraw/zinc/52/85/94/570528594.db2.gz LMKACBYLVNFNPX-LJQANCHMSA-N 1 2 353.466 4.767 40 0 FJABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213809 570529234 /nfs/dbraw/zinc/52/92/34/570529234.db2.gz ITXVKPFLHQHDFK-IBGZPJMESA-N 1 2 351.450 4.520 40 0 FJABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213929 570529664 /nfs/dbraw/zinc/52/96/64/570529664.db2.gz OAZQVJPVZXPQRG-FQEVSTJZSA-N 1 2 365.477 4.910 40 0 FJABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216679 570533431 /nfs/dbraw/zinc/53/34/31/570533431.db2.gz ATJBOORQKLKZFB-NRFANRHFSA-N 1 2 363.505 4.829 40 0 FJABLO CCN(CC)c1cc(C)c2cc(NC(=O)c3c(F)cccc3F)ccc2[nH+]1 ZINC000003894424 570570649 /nfs/dbraw/zinc/57/06/49/570570649.db2.gz ASVBIRVNTMGCKW-UHFFFAOYSA-N 1 2 369.415 4.920 40 0 FJABLO COc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)cs2)c1OC ZINC000019240247 570884193 /nfs/dbraw/zinc/88/41/93/570884193.db2.gz HBALXEQLZHSYAY-INIZCTEOSA-N 1 2 374.531 4.604 40 0 FJABLO COc1cc2c(cc1C[NH2+][C@@H](Cc1ccsc1)c1nccs1)CCC2 ZINC000019550640 570892671 /nfs/dbraw/zinc/89/26/71/570892671.db2.gz WPKCRIPLIQRECE-SFHVURJKSA-N 1 2 370.543 4.776 40 0 FJABLO Cc1[nH+]c(C2CCN(C(=O)C3CCCCC3)CC2)c2sc(C)c(C)n12 ZINC000019561786 570893577 /nfs/dbraw/zinc/89/35/77/570893577.db2.gz UFXPJWQFNVFLTN-UHFFFAOYSA-N 1 2 359.539 4.607 40 0 FJABLO Cc1ncc(CNc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)s1 ZINC000019715796 570899752 /nfs/dbraw/zinc/89/97/52/570899752.db2.gz OZOYWDLXTCFEOL-UHFFFAOYSA-N 1 2 362.502 4.736 40 0 FJABLO O=C(CC[NH+]1CCOCC1)c1cc(-c2ccccc2)oc1-c1ccccc1 ZINC000031391751 571054469 /nfs/dbraw/zinc/05/44/69/571054469.db2.gz IFJMDHBYRDCUOY-UHFFFAOYSA-N 1 2 361.441 4.519 40 0 FJABLO Clc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c(Cl)c1 ZINC000329012093 571107133 /nfs/dbraw/zinc/10/71/33/571107133.db2.gz MJCIESKSSAUISQ-UHFFFAOYSA-N 1 2 363.292 4.603 40 0 FJABLO Fc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329044406 571108544 /nfs/dbraw/zinc/10/85/44/571108544.db2.gz SXDOIWMNVDCHNR-UHFFFAOYSA-N 1 2 362.452 4.615 40 0 FJABLO Cc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329053188 571108837 /nfs/dbraw/zinc/10/88/37/571108837.db2.gz VEKLUAFHHVLIJD-UHFFFAOYSA-N 1 2 372.516 4.653 40 0 FJABLO Cc1ccc(C(=O)Nc2cc([NH+]3[C@H](C)CCC[C@H]3C)c(C)cc2N)cc1 ZINC000216867306 571149616 /nfs/dbraw/zinc/14/96/16/571149616.db2.gz DHQWCSVVTYPRSS-IAGOWNOFSA-N 1 2 351.494 4.905 40 0 FJABLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377611 571186568 /nfs/dbraw/zinc/18/65/68/571186568.db2.gz PVAPHIZKOJHFQG-INIZCTEOSA-N 1 2 371.897 4.667 40 0 FJABLO Clc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377611 571186569 /nfs/dbraw/zinc/18/65/69/571186569.db2.gz PVAPHIZKOJHFQG-INIZCTEOSA-N 1 2 371.897 4.667 40 0 FJABLO Cc1ccccc1C(=O)Nc1cc([NH+]2[C@@H](C)CCC[C@@H]2C)c(C)cc1N ZINC000216866299 210161286 /nfs/dbraw/zinc/16/12/86/210161286.db2.gz JUPXHTLMCATPMA-IRXDYDNUSA-N 1 2 351.494 4.905 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329070220 210134394 /nfs/dbraw/zinc/13/43/94/210134394.db2.gz ZEYCAIVEZAJRAL-AWEZNQCLSA-N 1 2 352.869 4.595 40 0 FJABLO Clc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1Cl ZINC000329034840 210134170 /nfs/dbraw/zinc/13/41/70/210134170.db2.gz RAXXQGRDRCRYJQ-UHFFFAOYSA-N 1 2 371.271 4.612 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2ccc(C)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329046468 210133491 /nfs/dbraw/zinc/13/34/91/210133491.db2.gz UAVUWNRDWIJJNS-HNNXBMFYSA-N 1 2 366.896 4.903 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329051420 210133199 /nfs/dbraw/zinc/13/31/99/210133199.db2.gz UWUWWSBMVSRTJW-OAHLLOKOSA-N 1 2 366.896 4.903 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000329032291 210132361 /nfs/dbraw/zinc/13/23/61/210132361.db2.gz QOTBYBRIKSJPTO-NSHDSACASA-N 1 2 350.388 4.749 40 0 FJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)c(Cl)c1 ZINC000329018931 210130257 /nfs/dbraw/zinc/13/02/57/210130257.db2.gz NTXUIWNUFUKKKU-UHFFFAOYSA-N 1 2 352.869 4.513 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2ccc(F)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000328985331 210128626 /nfs/dbraw/zinc/12/86/26/210128626.db2.gz HSVCLJSXHRXTSP-HNNXBMFYSA-N 1 2 350.441 4.967 40 0 FJABLO CC[C@H]1C[N@H+](Cc2ccccc2)Cc2cc3cc(OC)cc(C)c3nc2O1 ZINC000013563882 220074571 /nfs/dbraw/zinc/07/45/71/220074571.db2.gz NWZHXOLRJRKHBY-FQEVSTJZSA-N 1 2 362.473 4.725 40 0 FJABLO CC[C@H]1C[N@@H+](Cc2ccccc2)Cc2cc3cc(OC)cc(C)c3nc2O1 ZINC000013563882 220074574 /nfs/dbraw/zinc/07/45/74/220074574.db2.gz NWZHXOLRJRKHBY-FQEVSTJZSA-N 1 2 362.473 4.725 40 0 FJABLO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+]3Cc3ccc(F)c(F)c3)o2)s1 ZINC000060016744 205283357 /nfs/dbraw/zinc/28/33/57/205283357.db2.gz BOAWOYLNNKBKLA-HNNXBMFYSA-N 1 2 361.417 4.722 40 0 FJABLO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+]3Cc3ccc(F)c(F)c3)o2)s1 ZINC000060016744 205283362 /nfs/dbraw/zinc/28/33/62/205283362.db2.gz BOAWOYLNNKBKLA-HNNXBMFYSA-N 1 2 361.417 4.722 40 0 FJABLO Cc1ccccc1CNc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(F)cc2)n1 ZINC000057761951 206388995 /nfs/dbraw/zinc/38/89/95/206388995.db2.gz GHBUCOCYZXWFFV-UHFFFAOYSA-N 1 2 359.408 4.593 40 0 FJABLO FC(F)(F)c1cccc(C2(NC(=S)Nc3cc[nH+]cc3)CCCC2)c1 ZINC000225874332 206504944 /nfs/dbraw/zinc/50/49/44/206504944.db2.gz NNNXWADIORNQIH-UHFFFAOYSA-N 1 2 365.424 4.856 40 0 FJABLO CCCn1nc(C)c(-c2c[nH+]cn2[C@@H](C)c2ccc3c(c2)CCCO3)c1C ZINC000019654464 211242554 /nfs/dbraw/zinc/24/25/54/211242554.db2.gz PJPJVFKFLVUXSP-INIZCTEOSA-N 1 2 364.493 4.708 40 0 FJABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2)c1C ZINC000019557929 211233690 /nfs/dbraw/zinc/23/36/90/211233690.db2.gz NJYSICSWIVAGGO-SFHVURJKSA-N 1 2 372.419 4.687 40 0 FJABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2)c1C ZINC000019557929 211233695 /nfs/dbraw/zinc/23/36/95/211233695.db2.gz NJYSICSWIVAGGO-SFHVURJKSA-N 1 2 372.419 4.687 40 0 FJABLO COc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)cs2)c(F)c1 ZINC000019240233 211212475 /nfs/dbraw/zinc/21/24/75/211212475.db2.gz HFSXAAOKXKGSNN-QGZVFWFLSA-N 1 2 362.495 4.734 40 0 FJABLO COc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)cs2)c(F)c1 ZINC000019240232 211211313 /nfs/dbraw/zinc/21/13/13/211211313.db2.gz HFSXAAOKXKGSNN-KRWDZBQOSA-N 1 2 362.495 4.734 40 0 FJABLO Cc1ccc([C@H]2CCCN2C(=O)c2ccccc2Cn2cc[nH+]c2)cc1C ZINC000019213869 211205629 /nfs/dbraw/zinc/20/56/29/211205629.db2.gz NTRDJSOGZCPLDN-JOCHJYFZSA-N 1 2 359.473 4.526 40 0 FJABLO CCOC(=O)c1c[nH+]c2cc3c(cc2c1Nc1cccc(C)c1C)OCO3 ZINC000001586146 210359220 /nfs/dbraw/zinc/35/92/20/210359220.db2.gz JLYHSWDJMBVDDM-UHFFFAOYSA-N 1 2 364.401 4.501 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000219852757 132275046 /nfs/dbraw/zinc/27/50/46/132275046.db2.gz AJCHRUYKJFERRV-UHFFFAOYSA-N 1 2 362.395 4.869 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)NCCCc3ccccc3Cl)CC2)cc1 ZINC000219860774 132275187 /nfs/dbraw/zinc/27/51/87/132275187.db2.gz UIAFUPMGUSBBKH-UHFFFAOYSA-N 1 2 370.924 4.614 40 0 FJABLO CC(C)N(c1[nH+]cccc1[C@H]1CCCN1C(=O)c1ccccc1)C(C)C ZINC000072213024 570528742 /nfs/dbraw/zinc/52/87/42/570528742.db2.gz MIOCTVJWVAVRFG-HXUWFJFHSA-N 1 2 351.494 4.682 40 0 FJABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216671 570533388 /nfs/dbraw/zinc/53/33/88/570533388.db2.gz JPHUJLWPUUCRET-SFHVURJKSA-N 1 2 359.514 4.924 40 0 FJABLO Cc1cc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]c1N1CCCCC1 ZINC000072219188 570534444 /nfs/dbraw/zinc/53/44/44/570534444.db2.gz XPIXCMUOIMOQJI-SFHVURJKSA-N 1 2 359.514 4.842 40 0 FJABLO Clc1ccc(-c2nc(NCc3cccs3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012143410 570721531 /nfs/dbraw/zinc/72/15/31/570721531.db2.gz MHQMDDIBYSREOR-UHFFFAOYSA-N 1 2 367.865 4.861 40 0 FJABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccccc2Cl)on1 ZINC000019120954 570880874 /nfs/dbraw/zinc/88/08/74/570880874.db2.gz BPXXDSDSCUOYGU-KRWDZBQOSA-N 1 2 356.857 4.754 40 0 FJABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2ccccc2Cl)on1 ZINC000019120954 570880878 /nfs/dbraw/zinc/88/08/78/570880878.db2.gz BPXXDSDSCUOYGU-KRWDZBQOSA-N 1 2 356.857 4.754 40 0 FJABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2)c1C ZINC000019557932 570893265 /nfs/dbraw/zinc/89/32/65/570893265.db2.gz NJYSICSWIVAGGO-GOSISDBHSA-N 1 2 372.419 4.687 40 0 FJABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2)c1C ZINC000019557932 570893271 /nfs/dbraw/zinc/89/32/71/570893271.db2.gz NJYSICSWIVAGGO-GOSISDBHSA-N 1 2 372.419 4.687 40 0 FJABLO Clc1cc(Cl)cc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328985671 571106368 /nfs/dbraw/zinc/10/63/68/571106368.db2.gz HTYZQEIDWMSNNU-UHFFFAOYSA-N 1 2 363.292 4.603 40 0 FJABLO Cc1c(F)cccc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000329014392 571107177 /nfs/dbraw/zinc/10/71/77/571107177.db2.gz MVVOANAEKITTEU-UHFFFAOYSA-N 1 2 350.441 4.967 40 0 FJABLO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000041105108 571107574 /nfs/dbraw/zinc/10/75/74/571107574.db2.gz RDNDVKXOFSAQIP-JTQLQIEISA-N 1 2 351.834 4.784 40 0 FJABLO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000041105108 571107575 /nfs/dbraw/zinc/10/75/75/571107575.db2.gz RDNDVKXOFSAQIP-JTQLQIEISA-N 1 2 351.834 4.784 40 0 FJABLO CNc1nc(Nc2ccc(C)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329023521 571107627 /nfs/dbraw/zinc/10/76/27/571107627.db2.gz OUNJTWMCSIFDGI-UHFFFAOYSA-N 1 2 374.366 4.558 40 0 FJABLO Clc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c(Cl)c1 ZINC000329049050 571108893 /nfs/dbraw/zinc/10/88/93/571108893.db2.gz UMSOCSZWLBNKSE-UHFFFAOYSA-N 1 2 371.271 4.612 40 0 FJABLO CC(C)(C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329067619 571109316 /nfs/dbraw/zinc/10/93/16/571109316.db2.gz YJGNZZOOKLWURS-UHFFFAOYSA-N 1 2 368.431 4.666 40 0 FJABLO Cc1cc(Cl)cc(C)c1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329072424 571109678 /nfs/dbraw/zinc/10/96/78/571109678.db2.gz ZXXBUIKMDJLUDL-UHFFFAOYSA-N 1 2 356.901 4.566 40 0 FJABLO CCOC(=O)c1cccc(Nc2cc[nH+]c3ccc(Br)cc23)c1 ZINC000040175592 571168163 /nfs/dbraw/zinc/16/81/63/571168163.db2.gz KGSRGBKSNVWDAD-UHFFFAOYSA-N 1 2 371.234 4.918 40 0 FJABLO Cc1cccc(C(=O)Nc2cc([N@H+]3[C@H](C)CCC[C@@H]3C)c(C)cc2N)c1 ZINC000216867246 210161986 /nfs/dbraw/zinc/16/19/86/210161986.db2.gz RWKJDVZFFSAVQX-CALCHBBNSA-N 1 2 351.494 4.905 40 0 FJABLO Cc1cccc(C(=O)Nc2cc([N@@H+]3[C@H](C)CCC[C@@H]3C)c(C)cc2N)c1 ZINC000216867246 210161990 /nfs/dbraw/zinc/16/19/90/210161990.db2.gz RWKJDVZFFSAVQX-CALCHBBNSA-N 1 2 351.494 4.905 40 0 FJABLO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000329069306 210134856 /nfs/dbraw/zinc/13/48/56/210134856.db2.gz YVMXIXYOFPTIBL-UHFFFAOYSA-N 1 2 366.896 4.822 40 0 FJABLO CC(C)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329034831 210133595 /nfs/dbraw/zinc/13/35/95/210133595.db2.gz RARQLLDUTKOWPT-UHFFFAOYSA-N 1 2 370.403 4.731 40 0 FJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)cc1Cl ZINC000329015880 210131169 /nfs/dbraw/zinc/13/11/69/210131169.db2.gz NDDIODPBGGDRTJ-UHFFFAOYSA-N 1 2 352.869 4.513 40 0 FJABLO CC(C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329022670 210130394 /nfs/dbraw/zinc/13/03/94/210130394.db2.gz OPBSMJVTEBGCNW-UHFFFAOYSA-N 1 2 373.287 4.858 40 0 FJABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)cc1F ZINC000329005703 210129280 /nfs/dbraw/zinc/12/92/80/210129280.db2.gz KYOHZUIPWQKRLS-UHFFFAOYSA-N 1 2 366.440 4.667 40 0 FJABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C2CC2)[nH+]1 ZINC000328979965 203844145 /nfs/dbraw/zinc/84/41/45/203844145.db2.gz GJHBZUMDVPXCQK-LJQANCHMSA-N 1 2 368.525 4.824 40 0 FJABLO Cc1c(F)cccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000329001659 203844947 /nfs/dbraw/zinc/84/49/47/203844947.db2.gz KFQBENBLHCAVEJ-UHFFFAOYSA-N 1 2 362.452 4.533 40 0 FJABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000044947939 205115705 /nfs/dbraw/zinc/11/57/05/205115705.db2.gz QWIQHPQNYYXSDW-UHFFFAOYSA-N 1 2 367.408 4.702 40 0 FJABLO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)C(C)(C)C)CC1 ZINC000001380367 206149198 /nfs/dbraw/zinc/14/91/98/206149198.db2.gz QTGMTKMFZLEICJ-UHFFFAOYSA-N 1 2 367.415 4.573 40 0 FJABLO Cc1cc2[nH]c([C@@H]3CCCN(C(=S)Nc4ccccc4)C3)[nH+]c2cc1C ZINC000013471840 206303025 /nfs/dbraw/zinc/30/30/25/206303025.db2.gz DASSENWWRORQQU-MRXNPFEDSA-N 1 2 364.518 4.756 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000219858265 132274994 /nfs/dbraw/zinc/27/49/94/132274994.db2.gz QMFVHPOESMWWQW-UHFFFAOYSA-N 1 2 352.478 4.637 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)N[C@H](C)c3ccc(C)cc3C)CC2)cc1 ZINC000219863567 132275179 /nfs/dbraw/zinc/27/51/79/132275179.db2.gz JCJOKXXQODRZME-LJQANCHMSA-N 1 2 350.506 4.706 40 0 FJABLO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219852331 536570380 /nfs/dbraw/zinc/57/03/80/536570380.db2.gz LFUCSXFTBDUDOF-UHFFFAOYSA-N 1 2 358.869 4.512 40 0 FJABLO CC[C@@H](C)Nc1[nH+]cccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072213383 570529203 /nfs/dbraw/zinc/52/92/03/570529203.db2.gz WYOYIVZDLPJNDS-APWZRJJASA-N 1 2 353.466 4.766 40 0 FJABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216038 570533592 /nfs/dbraw/zinc/53/35/92/570533592.db2.gz HPOSJKLJZDDIMI-FQEVSTJZSA-N 1 2 365.477 4.546 40 0 FJABLO Cc1cc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]c1N1CCCCC1 ZINC000072219189 570534450 /nfs/dbraw/zinc/53/44/50/570534450.db2.gz XPIXCMUOIMOQJI-GOSISDBHSA-N 1 2 359.514 4.842 40 0 FJABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2ccccc2F)c1C ZINC000019558008 570893338 /nfs/dbraw/zinc/89/33/38/570893338.db2.gz NYAVCEZXUOUHNO-GOSISDBHSA-N 1 2 354.429 4.548 40 0 FJABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2ccccc2F)c1C ZINC000019558008 570893341 /nfs/dbraw/zinc/89/33/41/570893341.db2.gz NYAVCEZXUOUHNO-GOSISDBHSA-N 1 2 354.429 4.548 40 0 FJABLO S=C(NCCSCc1ccc(Cl)cc1Cl)Nc1cc[nH+]cc1 ZINC000225343367 571029370 /nfs/dbraw/zinc/02/93/70/571029370.db2.gz HKYAIFFKURWAHY-UHFFFAOYSA-N 1 2 372.346 4.608 40 0 FJABLO Clc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328962562 571105030 /nfs/dbraw/zinc/10/50/30/571105030.db2.gz BJACDVBHJGMOIV-UHFFFAOYSA-N 1 2 364.880 4.739 40 0 FJABLO Cc1cc2[nH]c(-c3cc(Cl)c(N)c(Br)c3)[nH+]c2cc1C ZINC000070461511 571159536 /nfs/dbraw/zinc/15/95/36/571159536.db2.gz MAZPYVKTUJMFKD-UHFFFAOYSA-N 1 2 350.647 4.845 40 0 FJABLO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377427 571186243 /nfs/dbraw/zinc/18/62/43/571186243.db2.gz QXVNFQUSZHBMLL-KRWDZBQOSA-N 1 2 369.469 4.543 40 0 FJABLO Fc1ccc(C[N@H+]2CCCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377427 571186246 /nfs/dbraw/zinc/18/62/46/571186246.db2.gz QXVNFQUSZHBMLL-KRWDZBQOSA-N 1 2 369.469 4.543 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2ccc(C)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329046470 210133845 /nfs/dbraw/zinc/13/38/45/210133845.db2.gz UAVUWNRDWIJJNS-OAHLLOKOSA-N 1 2 366.896 4.903 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329051419 210132703 /nfs/dbraw/zinc/13/27/03/210132703.db2.gz UWUWWSBMVSRTJW-HNNXBMFYSA-N 1 2 366.896 4.903 40 0 FJABLO CC(C)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328967980 210127428 /nfs/dbraw/zinc/12/74/28/210127428.db2.gz CWTZTRDUFQSLSC-UHFFFAOYSA-N 1 2 373.287 4.858 40 0 FJABLO Cc1cc(Cl)cc(C)c1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000328994533 203845532 /nfs/dbraw/zinc/84/55/32/203845532.db2.gz JFHZNZGUZZGIAU-UHFFFAOYSA-N 1 2 370.928 4.956 40 0 FJABLO COc1ccccc1N(CC(=O)c1ccc(Cl)cc1)C1=[NH+]CCCC1 ZINC000007276435 204294091 /nfs/dbraw/zinc/29/40/91/204294091.db2.gz AAQMSRJABKLXDW-UHFFFAOYSA-N 1 2 356.853 4.620 40 0 FJABLO CCCn1ncc(C[N@H+](Cc2ccc(CC)cc2)Cc2cccnc2)c1C ZINC000013569115 220074831 /nfs/dbraw/zinc/07/48/31/220074831.db2.gz YMEOWXBFHMUMRF-UHFFFAOYSA-N 1 2 362.521 4.761 40 0 FJABLO CCCn1ncc(C[N@@H+](Cc2ccc(CC)cc2)Cc2cccnc2)c1C ZINC000013569115 220074835 /nfs/dbraw/zinc/07/48/35/220074835.db2.gz YMEOWXBFHMUMRF-UHFFFAOYSA-N 1 2 362.521 4.761 40 0 FJABLO CC1CC[NH+]([C@@H](c2nnnn2C2CCCCC2)c2ccc(Cl)cc2)CC1 ZINC000004847716 206180329 /nfs/dbraw/zinc/18/03/29/206180329.db2.gz DOWXVRWRPCGKTB-LJQANCHMSA-N 1 2 373.932 4.653 40 0 FJABLO Cc1ccc(-c2nn(C[NH+]3CCCCC3)c(=S)n2-c2ccccc2)cc1 ZINC000005394414 206239389 /nfs/dbraw/zinc/23/93/89/206239389.db2.gz UELJPUVNEUBQAW-UHFFFAOYSA-N 1 2 364.518 4.822 40 0 FJABLO Cc1ccc2cc3c(nc2c1C)OCC[N@@H+](CCc1ccc(Cl)cc1)C3 ZINC000013563788 206304541 /nfs/dbraw/zinc/30/45/41/206304541.db2.gz VCIGMHDWBWUXQG-UHFFFAOYSA-N 1 2 366.892 4.942 40 0 FJABLO Cc1ccc2cc3c(nc2c1C)OCC[N@H+](CCc1ccc(Cl)cc1)C3 ZINC000013563788 206304543 /nfs/dbraw/zinc/30/45/43/206304543.db2.gz VCIGMHDWBWUXQG-UHFFFAOYSA-N 1 2 366.892 4.942 40 0 FJABLO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)cn1 ZINC000019524931 211228446 /nfs/dbraw/zinc/22/84/46/211228446.db2.gz PDMFORHYGYHERA-KRWDZBQOSA-N 1 2 356.495 4.737 40 0 FJABLO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)cn1 ZINC000019524931 211228449 /nfs/dbraw/zinc/22/84/49/211228449.db2.gz PDMFORHYGYHERA-KRWDZBQOSA-N 1 2 356.495 4.737 40 0 FJABLO Cc1ccccc1C(=O)Nc1cc([N@H+]2[C@H](C)CCC[C@@H]2C)c(C)cc1N ZINC000216866271 132271625 /nfs/dbraw/zinc/27/16/25/132271625.db2.gz JUPXHTLMCATPMA-CALCHBBNSA-N 1 2 351.494 4.905 40 0 FJABLO Cc1ccccc1C(=O)Nc1cc([N@@H+]2[C@H](C)CCC[C@@H]2C)c(C)cc1N ZINC000216866271 132271626 /nfs/dbraw/zinc/27/16/26/132271626.db2.gz JUPXHTLMCATPMA-CALCHBBNSA-N 1 2 351.494 4.905 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000219849174 132274673 /nfs/dbraw/zinc/27/46/73/132274673.db2.gz ICLQMQFPBVXDHW-UHFFFAOYSA-N 1 2 373.294 4.613 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC000219850172 132274677 /nfs/dbraw/zinc/27/46/77/132274677.db2.gz CCWRPHLPCIBTBG-UHFFFAOYSA-N 1 2 373.294 4.613 40 0 FJABLO CCc1cccc(CC)c1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219855682 535879781 /nfs/dbraw/zinc/87/97/81/535879781.db2.gz XFKVLNMMPIDEOT-UHFFFAOYSA-N 1 2 350.506 4.975 40 0 FJABLO CC(C)CNc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213310 570528716 /nfs/dbraw/zinc/52/87/16/570528716.db2.gz DHPNYBNTVXFDEY-LJQANCHMSA-N 1 2 353.466 4.623 40 0 FJABLO CCCNc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213224 570528795 /nfs/dbraw/zinc/52/87/95/570528795.db2.gz WJZAQDFMGNUPFU-IBGZPJMESA-N 1 2 353.466 4.767 40 0 FJABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072216012 570533595 /nfs/dbraw/zinc/53/35/95/570533595.db2.gz DIXIYAKTOLSJQS-HXUWFJFHSA-N 1 2 365.477 4.546 40 0 FJABLO CC[C@H](C)Nc1nc(NCc2ccccc2OC)cc(-c2ccccc2)[nH+]1 ZINC000243191578 570609850 /nfs/dbraw/zinc/60/98/50/570609850.db2.gz KAADPHDYZHPBQQ-INIZCTEOSA-N 1 2 362.477 4.975 40 0 FJABLO S=C(NCCSCc1c(Cl)cccc1Cl)Nc1cc[nH+]cc1 ZINC000225366591 571031172 /nfs/dbraw/zinc/03/11/72/571031172.db2.gz XJDGAZIPWHOKLW-UHFFFAOYSA-N 1 2 372.346 4.608 40 0 FJABLO c1cc(CN2CCC[C@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)cs1 ZINC000306134599 571039046 /nfs/dbraw/zinc/03/90/46/571039046.db2.gz NTGPSMZHEIIJES-IBGZPJMESA-N 1 2 360.486 4.795 40 0 FJABLO Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000328957690 571104671 /nfs/dbraw/zinc/10/46/71/571104671.db2.gz AKZXLZIJKJDLSQ-UHFFFAOYSA-N 1 2 352.869 4.513 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328968086 571105304 /nfs/dbraw/zinc/10/53/04/571105304.db2.gz CXPLRLIQJIXNNF-ZDUSSCGKSA-N 1 2 370.859 4.734 40 0 FJABLO CC(C)(C)Nc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328970840 571105631 /nfs/dbraw/zinc/10/56/31/571105631.db2.gz DMSDHLUQENDTAN-UHFFFAOYSA-N 1 2 368.868 4.879 40 0 FJABLO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329005296 571106819 /nfs/dbraw/zinc/10/68/19/571106819.db2.gz KXSNDMVOTJWESA-UHFFFAOYSA-N 1 2 364.880 4.576 40 0 FJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1 ZINC000329004803 571106826 /nfs/dbraw/zinc/10/68/26/571106826.db2.gz KTWCDBSSLZYKAH-FQEVSTJZSA-N 1 2 362.477 4.624 40 0 FJABLO Cc1cc(C)cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329014755 571107183 /nfs/dbraw/zinc/10/71/83/571107183.db2.gz MXNALKVDRGXDQO-UHFFFAOYSA-N 1 2 358.489 4.702 40 0 FJABLO CC(C)(C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329068998 571109333 /nfs/dbraw/zinc/10/93/33/571109333.db2.gz YTWVAVIBODFQHJ-UHFFFAOYSA-N 1 2 368.378 4.888 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2ccccc2SC)cc(-c2ccccc2)[nH+]1 ZINC000329022187 210130463 /nfs/dbraw/zinc/13/04/63/210130463.db2.gz OLPDZBSDZPBRGN-HNNXBMFYSA-N 1 2 364.518 4.663 40 0 FJABLO CCc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000328987600 210129130 /nfs/dbraw/zinc/12/91/30/210129130.db2.gz IBCPEALKQVFRMG-UHFFFAOYSA-N 1 2 372.516 4.956 40 0 FJABLO Cc1ccc(C)c(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328992500 210128898 /nfs/dbraw/zinc/12/88/98/210128898.db2.gz IVZSIYZIMGTGDJ-UHFFFAOYSA-N 1 2 358.489 4.702 40 0 FJABLO Cc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000328976527 210127588 /nfs/dbraw/zinc/12/75/88/210127588.db2.gz FOIUDRUBCXMNMM-UHFFFAOYSA-N 1 2 358.489 4.702 40 0 FJABLO O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038834436 205043548 /nfs/dbraw/zinc/04/35/48/205043548.db2.gz YZHUAPWOHCLGTE-UHFFFAOYSA-N 1 2 369.424 4.976 40 0 FJABLO CC[C@@H](C)Nc1nc(NCc2ccccc2OC)cc(-c2ccccc2)[nH+]1 ZINC000243191579 206118348 /nfs/dbraw/zinc/11/83/48/206118348.db2.gz KAADPHDYZHPBQQ-MRXNPFEDSA-N 1 2 362.477 4.975 40 0 FJABLO CC(C)c1[nH+]c2ccccc2n1C[C@H](O)COc1cccc2ccccc21 ZINC000000889959 206138035 /nfs/dbraw/zinc/13/80/35/206138035.db2.gz XIXICLMFQXDNBM-SFHVURJKSA-N 1 2 360.457 4.753 40 0 FJABLO Cc1cc2[nH]c([C@@H]3CCCN(C(=S)NC4CCCCC4)C3)[nH+]c2cc1C ZINC000012878982 206297460 /nfs/dbraw/zinc/29/74/60/206297460.db2.gz FOCNJBOKFDEEEW-MRXNPFEDSA-N 1 2 370.566 4.566 40 0 FJABLO CC[C@@H]1C[N@H+](Cc2ccccc2)Cc2cc3cc(OC)cc(C)c3nc2O1 ZINC000013563881 206305011 /nfs/dbraw/zinc/30/50/11/206305011.db2.gz NWZHXOLRJRKHBY-HXUWFJFHSA-N 1 2 362.473 4.725 40 0 FJABLO CC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2cc3cc(OC)cc(C)c3nc2O1 ZINC000013563881 206305013 /nfs/dbraw/zinc/30/50/13/206305013.db2.gz NWZHXOLRJRKHBY-HXUWFJFHSA-N 1 2 362.473 4.725 40 0 FJABLO Cc1cc(N2CCc3cc(Cl)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000328958452 132371795 /nfs/dbraw/zinc/37/17/95/132371795.db2.gz AOPDYXBAJGQGBK-UHFFFAOYSA-N 1 2 350.853 4.745 40 0 FJABLO Cc1nc(Nc2ccccc2)cc(N2CCc3cc(Cl)ccc3C2)[nH+]1 ZINC000329068352 132373180 /nfs/dbraw/zinc/37/31/80/132373180.db2.gz YQCQNDVNZDFEPK-UHFFFAOYSA-N 1 2 350.853 4.745 40 0 FJABLO Cc1[nH+]c(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccccn23)cn1C(C)C ZINC000096154949 222056335 /nfs/dbraw/zinc/05/63/35/222056335.db2.gz CRTVCAUNVOANDI-INIZCTEOSA-N 1 2 364.493 4.707 40 0 FJABLO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[NH+]1CCCC1 ZINC000216865941 568148061 /nfs/dbraw/zinc/14/80/61/568148061.db2.gz KMOFJBMDMIFSSZ-UHFFFAOYSA-N 1 2 351.494 4.727 40 0 FJABLO C=C1[NH+]=C(SCC)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408990551 570708240 /nfs/dbraw/zinc/70/82/40/570708240.db2.gz OBFVVGGSILFXAV-AWEZNQCLSA-N 1 2 373.305 4.584 40 0 FJABLO CCOc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1c(C)nn(C(C)C)c1C)CC3 ZINC000012191760 570725646 /nfs/dbraw/zinc/72/56/46/570725646.db2.gz RYKLKAAPJNZSIJ-UHFFFAOYSA-N 1 2 366.509 4.519 40 0 FJABLO CCOc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1c(C)nn(C(C)C)c1C)CC3 ZINC000012191760 570725650 /nfs/dbraw/zinc/72/56/50/570725650.db2.gz RYKLKAAPJNZSIJ-UHFFFAOYSA-N 1 2 366.509 4.519 40 0 FJABLO CCCn1nc(C)c(-c2c[nH+]cn2Cc2cccc(OC(C)C)c2)c1C ZINC000019654555 570896695 /nfs/dbraw/zinc/89/66/95/570896695.db2.gz METSIAAIKQBPDV-UHFFFAOYSA-N 1 2 352.482 4.609 40 0 FJABLO S=C(Nc1cc[nH+]cc1)NC1(CCc2ccccc2Cl)CCCC1 ZINC000225874700 571077306 /nfs/dbraw/zinc/07/73/06/571077306.db2.gz IEACAVSGUYMWDY-UHFFFAOYSA-N 1 2 359.926 4.967 40 0 FJABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1Cl ZINC000328979186 571106043 /nfs/dbraw/zinc/10/60/43/571106043.db2.gz GEBCUPRKNOVYFC-UHFFFAOYSA-N 1 2 356.901 4.648 40 0 FJABLO CCc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CC)n1 ZINC000329010862 571107121 /nfs/dbraw/zinc/10/71/21/571107121.db2.gz MCUXZXZVBSGVBX-QGZVFWFLSA-N 1 2 360.505 4.812 40 0 FJABLO Fc1ccccc1Cc1cnc([C@H]2CCC[N@H+]2Cc2ccccc2F)o1 ZINC000257264313 571155636 /nfs/dbraw/zinc/15/56/36/571155636.db2.gz LTWDTNPLKXMFLI-HXUWFJFHSA-N 1 2 354.400 4.881 40 0 FJABLO Fc1ccccc1Cc1cnc([C@H]2CCC[N@@H+]2Cc2ccccc2F)o1 ZINC000257264313 571155637 /nfs/dbraw/zinc/15/56/37/571155637.db2.gz LTWDTNPLKXMFLI-HXUWFJFHSA-N 1 2 354.400 4.881 40 0 FJABLO COc1cc2ccncc2cc1Oc1c2c[nH+]ccc2cc(OC)c1OC ZINC000013213435 571160031 /nfs/dbraw/zinc/16/00/31/571160031.db2.gz ZHIYVDAJUKMVRP-UHFFFAOYSA-N 1 2 362.385 4.601 40 0 FJABLO Cc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329072509 210134568 /nfs/dbraw/zinc/13/45/68/210134568.db2.gz ZYVQBABHABMADE-UHFFFAOYSA-N 1 2 356.901 4.648 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2ccc(F)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000329030720 210131805 /nfs/dbraw/zinc/13/18/05/210131805.db2.gz QFFADJOAFKIPDY-HNNXBMFYSA-N 1 2 350.441 4.967 40 0 FJABLO c1csc(CN2CCC[C@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)c1 ZINC000306123358 210049492 /nfs/dbraw/zinc/04/94/92/210049492.db2.gz AKXDYIKPQILULJ-IBGZPJMESA-N 1 2 360.486 4.795 40 0 FJABLO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1csc(Nc2ccc(C)cn2)n1 ZINC000257255493 223039908 /nfs/dbraw/zinc/03/99/08/223039908.db2.gz KHSGXRDXIOHEEQ-OAHLLOKOSA-N 1 2 371.535 4.692 40 0 FJABLO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1csc(Nc2ccc(C)cn2)n1 ZINC000257255493 223039911 /nfs/dbraw/zinc/03/99/11/223039911.db2.gz KHSGXRDXIOHEEQ-OAHLLOKOSA-N 1 2 371.535 4.692 40 0 FJABLO CC(C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000240772801 206117623 /nfs/dbraw/zinc/11/76/23/206117623.db2.gz AWFVBVSJEQDEQK-UHFFFAOYSA-N 1 2 372.394 5.726 40 0 FJABLO Cc1ccn2c(c1)[nH+]c(-c1cccs1)c2NCc1ccc2c(c1)OCO2 ZINC000004848444 206180694 /nfs/dbraw/zinc/18/06/94/206180694.db2.gz QEWIWAXFJBQEPC-UHFFFAOYSA-N 1 2 363.442 4.712 40 0 FJABLO Cc1ccc2cc3c(nc2c1C)OCC[N@@H+](CCc1ccccc1Cl)C3 ZINC000013563797 206305254 /nfs/dbraw/zinc/30/52/54/206305254.db2.gz VPCRENYXBAFNEY-UHFFFAOYSA-N 1 2 366.892 4.942 40 0 FJABLO Cc1ccc2cc3c(nc2c1C)OCC[N@H+](CCc1ccccc1Cl)C3 ZINC000013563797 206305258 /nfs/dbraw/zinc/30/52/58/206305258.db2.gz VPCRENYXBAFNEY-UHFFFAOYSA-N 1 2 366.892 4.942 40 0 FJABLO Cc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4[N@@H+]2Cc2ccoc2)c1 ZINC000019235328 211208883 /nfs/dbraw/zinc/20/88/83/211208883.db2.gz DAIVFVWRPKSNGP-GHTZIAJQSA-N 1 2 370.456 4.560 40 0 FJABLO Cc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4[N@H+]2Cc2ccoc2)c1 ZINC000019235328 211208891 /nfs/dbraw/zinc/20/88/91/211208891.db2.gz DAIVFVWRPKSNGP-GHTZIAJQSA-N 1 2 370.456 4.560 40 0 FJABLO CC[C@@H](NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1)c1ccc(C)cc1 ZINC000219863618 132275181 /nfs/dbraw/zinc/27/51/81/132275181.db2.gz LFAQNTURCMDOPF-JOCHJYFZSA-N 1 2 350.506 4.787 40 0 FJABLO COc1ccc2c(c1)CCN(c1cc(Nc3ccccc3)[nH+]c(C(C)C)n1)C2 ZINC000328990341 132372279 /nfs/dbraw/zinc/37/22/79/132372279.db2.gz INZDZCPEYBTTML-UHFFFAOYSA-N 1 2 374.488 4.915 40 0 FJABLO COc1ccc2c(c1)CCN(c1cc(Nc3ccccc3)nc(C(C)C)[nH+]1)C2 ZINC000328990341 132372280 /nfs/dbraw/zinc/37/22/80/132372280.db2.gz INZDZCPEYBTTML-UHFFFAOYSA-N 1 2 374.488 4.915 40 0 FJABLO CCN(CC)c1[nH+]cccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072212926 570528733 /nfs/dbraw/zinc/52/87/33/570528733.db2.gz VFHQVEXBSWPTHO-FQEVSTJZSA-N 1 2 367.493 4.792 40 0 FJABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213833 570529075 /nfs/dbraw/zinc/52/90/75/570529075.db2.gz KHADHUDVHSNMRR-LJQANCHMSA-N 1 2 351.450 4.520 40 0 FJABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213893 570529585 /nfs/dbraw/zinc/52/95/85/570529585.db2.gz BRVLXEGRVYJSQY-LJQANCHMSA-N 1 2 351.450 4.520 40 0 FJABLO S=c1oc(-c2ccccc2)nn1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000059474362 571090752 /nfs/dbraw/zinc/09/07/52/571090752.db2.gz ZTGACBYAXSAVTN-UHFFFAOYSA-N 1 2 365.502 4.785 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2cccc(SC)c2)cc(-c2ccccc2)[nH+]1 ZINC000328994393 571106547 /nfs/dbraw/zinc/10/65/47/571106547.db2.gz JCZUFUWRAFROIC-HNNXBMFYSA-N 1 2 364.518 4.663 40 0 FJABLO Cc1ccc(Cl)c(C)c1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328993733 571106658 /nfs/dbraw/zinc/10/66/58/571106658.db2.gz JAPGICICKPYYIX-UHFFFAOYSA-N 1 2 356.901 4.566 40 0 FJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1 ZINC000329004804 571106920 /nfs/dbraw/zinc/10/69/20/571106920.db2.gz KTWCDBSSLZYKAH-HXUWFJFHSA-N 1 2 362.477 4.624 40 0 FJABLO C[C@H](c1nnc(-c2ccc(F)cc2)o1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000041105109 571107579 /nfs/dbraw/zinc/10/75/79/571107579.db2.gz RDNDVKXOFSAQIP-SNVBAGLBSA-N 1 2 351.834 4.784 40 0 FJABLO C[C@H](c1nnc(-c2ccc(F)cc2)o1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000041105109 571107580 /nfs/dbraw/zinc/10/75/80/571107580.db2.gz RDNDVKXOFSAQIP-SNVBAGLBSA-N 1 2 351.834 4.784 40 0 FJABLO FC(F)(F)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329071467 571109784 /nfs/dbraw/zinc/10/97/84/571109784.db2.gz ZQCUPOJXLWCSAI-UHFFFAOYSA-N 1 2 362.399 4.893 40 0 FJABLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377610 571186366 /nfs/dbraw/zinc/18/63/66/571186366.db2.gz PVAPHIZKOJHFQG-MRXNPFEDSA-N 1 2 371.897 4.667 40 0 FJABLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377610 571186367 /nfs/dbraw/zinc/18/63/67/571186367.db2.gz PVAPHIZKOJHFQG-MRXNPFEDSA-N 1 2 371.897 4.667 40 0 FJABLO CCc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000328956538 529733634 /nfs/dbraw/zinc/73/36/34/529733634.db2.gz AGXYPGBMIXCLCL-UHFFFAOYSA-N 1 2 350.510 4.557 40 0 FJABLO Cc1cccc(NC(=O)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c1 ZINC000001350192 219398075 /nfs/dbraw/zinc/39/80/75/219398075.db2.gz SAEUECCQTPTHHR-KRWDZBQOSA-N 1 2 362.477 4.900 40 0 FJABLO CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)cc1 ZINC000244450592 209366232 /nfs/dbraw/zinc/36/62/32/209366232.db2.gz ZBMIHFZDHMBSNP-UHFFFAOYSA-N 1 2 361.449 4.666 40 0 FJABLO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000328981185 223126571 /nfs/dbraw/zinc/12/65/71/223126571.db2.gz GSHNGQJINBOVOL-UHFFFAOYSA-N 1 2 366.896 4.822 40 0 FJABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2ccccc2Cl)on1 ZINC000019120957 220238199 /nfs/dbraw/zinc/23/81/99/220238199.db2.gz BPXXDSDSCUOYGU-QGZVFWFLSA-N 1 2 356.857 4.754 40 0 FJABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2ccccc2Cl)on1 ZINC000019120957 220238215 /nfs/dbraw/zinc/23/82/15/220238215.db2.gz BPXXDSDSCUOYGU-QGZVFWFLSA-N 1 2 356.857 4.754 40 0 FJABLO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cn1 ZINC000019524930 220265281 /nfs/dbraw/zinc/26/52/81/220265281.db2.gz PDMFORHYGYHERA-QGZVFWFLSA-N 1 2 356.495 4.737 40 0 FJABLO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cn1 ZINC000019524930 220265284 /nfs/dbraw/zinc/26/52/84/220265284.db2.gz PDMFORHYGYHERA-QGZVFWFLSA-N 1 2 356.495 4.737 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000219856789 132275067 /nfs/dbraw/zinc/27/50/67/132275067.db2.gz VEBOUZGPAXMPFK-UHFFFAOYSA-N 1 2 362.395 4.869 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)cc1 ZINC000219865290 132275222 /nfs/dbraw/zinc/27/52/22/132275222.db2.gz LPHWQSLCDROHCZ-IBGZPJMESA-N 1 2 350.506 4.706 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2ccc(F)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000328985335 529357318 /nfs/dbraw/zinc/35/73/18/529357318.db2.gz HSVCLJSXHRXTSP-OAHLLOKOSA-N 1 2 350.441 4.967 40 0 FJABLO CCOC(=O)c1c[nH+]c2c(C)ccc(C)c2c1Nc1ccc2c(c1)OCO2 ZINC000001586171 570502220 /nfs/dbraw/zinc/50/22/20/570502220.db2.gz YDSHQCIJXFEKCV-UHFFFAOYSA-N 1 2 364.401 4.501 40 0 FJABLO CC(C)CNc1[nH+]cccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072213249 570528421 /nfs/dbraw/zinc/52/84/21/570528421.db2.gz SUEYFLPALSHLDX-IBGZPJMESA-N 1 2 353.466 4.623 40 0 FJABLO CC[C@H](C)Nc1[nH+]cccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072213386 570528982 /nfs/dbraw/zinc/52/89/82/570528982.db2.gz WYOYIVZDLPJNDS-QFBILLFUSA-N 1 2 353.466 4.766 40 0 FJABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215952 570533326 /nfs/dbraw/zinc/53/33/26/570533326.db2.gz OHDLWOKTXQLCHL-HXUWFJFHSA-N 1 2 365.477 4.546 40 0 FJABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072216013 570533570 /nfs/dbraw/zinc/53/35/70/570533570.db2.gz DIXIYAKTOLSJQS-FQEVSTJZSA-N 1 2 365.477 4.546 40 0 FJABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216739 570534013 /nfs/dbraw/zinc/53/40/13/570534013.db2.gz NYOXBJVBMAHCJR-NRFANRHFSA-N 1 2 363.505 4.829 40 0 FJABLO Cc1cc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]c1N1CCCCC1 ZINC000072219197 570534529 /nfs/dbraw/zinc/53/45/29/570534529.db2.gz PTVRJNQIUTWKSW-OAQYLSRUSA-N 1 2 363.505 4.748 40 0 FJABLO Cc1cc2[nH]c([C@H]3CCCN(C(=S)Nc4ccccc4)C3)[nH+]c2cc1C ZINC000013471842 570832167 /nfs/dbraw/zinc/83/21/67/570832167.db2.gz DASSENWWRORQQU-INIZCTEOSA-N 1 2 364.518 4.756 40 0 FJABLO Cc1sc2c(C3CCN(C(=O)c4ccc(C)cc4)CC3)[nH+]c(C)n2c1C ZINC000019135163 570880755 /nfs/dbraw/zinc/88/07/55/570880755.db2.gz ULIKLOPLRFKTDQ-UHFFFAOYSA-N 1 2 367.518 4.649 40 0 FJABLO CCOc1cc([C@@H]2[NH2+][C@H](c3nccs3)Cc3ccsc32)ccc1OC ZINC000019532165 570892114 /nfs/dbraw/zinc/89/21/14/570892114.db2.gz FICGQOVOMCCPQU-YOEHRIQHSA-N 1 2 372.515 4.588 40 0 FJABLO Cc1cc(C)c(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c(C)c1 ZINC000329023034 571107692 /nfs/dbraw/zinc/10/76/92/571107692.db2.gz OQYAHXCGORODBY-UHFFFAOYSA-N 1 2 350.510 4.611 40 0 FJABLO Clc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1Cl ZINC000329035817 571108223 /nfs/dbraw/zinc/10/82/23/571108223.db2.gz RFNVRRQIAWEFNP-UHFFFAOYSA-N 1 2 371.271 4.612 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329061684 571109449 /nfs/dbraw/zinc/10/94/49/571109449.db2.gz WSMYWHPABDFEPI-CQSZACIVSA-N 1 2 352.869 4.595 40 0 FJABLO c1csc(C[N@H+](Cc2cnn(-c3ccccc3)c2)Cc2cccnc2)c1 ZINC000057796988 571122677 /nfs/dbraw/zinc/12/26/77/571122677.db2.gz FABNAHCOMVJZSH-UHFFFAOYSA-N 1 2 360.486 4.531 40 0 FJABLO c1csc(C[N@@H+](Cc2cnn(-c3ccccc3)c2)Cc2cccnc2)c1 ZINC000057796988 571122679 /nfs/dbraw/zinc/12/26/79/571122679.db2.gz FABNAHCOMVJZSH-UHFFFAOYSA-N 1 2 360.486 4.531 40 0 FJABLO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377426 571186024 /nfs/dbraw/zinc/18/60/24/571186024.db2.gz QXVNFQUSZHBMLL-QGZVFWFLSA-N 1 2 369.469 4.543 40 0 FJABLO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377426 571186025 /nfs/dbraw/zinc/18/60/25/571186025.db2.gz QXVNFQUSZHBMLL-QGZVFWFLSA-N 1 2 369.469 4.543 40 0 FJABLO CNc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000329059514 529836294 /nfs/dbraw/zinc/83/62/94/529836294.db2.gz WGYRFSUQSTYCGE-UHFFFAOYSA-N 1 2 374.366 4.558 40 0 FJABLO Cc1cccc(NC(=O)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c1 ZINC000001350186 219397668 /nfs/dbraw/zinc/39/76/68/219397668.db2.gz SAEUECCQTPTHHR-QGZVFWFLSA-N 1 2 362.477 4.900 40 0 FJABLO Cc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1C ZINC000329000732 223127747 /nfs/dbraw/zinc/12/77/47/223127747.db2.gz KCWIUKYZDRNDFJ-UHFFFAOYSA-N 1 2 358.489 4.702 40 0 FJABLO Cc1ccc(Cl)c(C)c1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329021758 223130015 /nfs/dbraw/zinc/13/00/15/223130015.db2.gz OITJDXALPWCELS-UHFFFAOYSA-N 1 2 370.928 4.956 40 0 FJABLO Clc1ccc(C[N@H+](Cc2ccncc2)Cc2cccnc2)cc1Cl ZINC000013989646 220099758 /nfs/dbraw/zinc/09/97/58/220099758.db2.gz SWFRUKKVGGVVQP-UHFFFAOYSA-N 1 2 358.272 4.986 40 0 FJABLO Clc1ccc(C[N@@H+](Cc2ccncc2)Cc2cccnc2)cc1Cl ZINC000013989646 220099760 /nfs/dbraw/zinc/09/97/60/220099760.db2.gz SWFRUKKVGGVVQP-UHFFFAOYSA-N 1 2 358.272 4.986 40 0 FJABLO Clc1ccc(CO[C@@H](C[NH+]2CCOCC2)c2ccccc2)c(Cl)c1 ZINC000031912448 208020780 /nfs/dbraw/zinc/02/07/80/208020780.db2.gz SOVGXSDOPRUICL-IBGZPJMESA-N 1 2 366.288 4.584 40 0 FJABLO CCCn1nc(C)c(-c2c[nH+]cn2C[C@@H](C)Oc2ccccc2Cl)c1C ZINC000019654538 220280629 /nfs/dbraw/zinc/28/06/29/220280629.db2.gz IHAYEPOSQPLDQS-CQSZACIVSA-N 1 2 372.900 4.894 40 0 FJABLO Cc1nn(C[C@H](C)c2cc(NCc3ccc(C)cc3)nc(C)[nH+]2)c(C)c1C ZINC000019717890 220290686 /nfs/dbraw/zinc/29/06/86/220290686.db2.gz FUBJWKCOZWOLCL-HNNXBMFYSA-N 1 2 363.509 4.631 40 0 FJABLO Clc1nc2ccccc2c(N2CCCCC2)c1C[NH2+]Cc1ccco1 ZINC000005017417 132256289 /nfs/dbraw/zinc/25/62/89/132256289.db2.gz MNNSXNLNUNJYAY-UHFFFAOYSA-N 1 2 355.869 4.761 40 0 FJABLO Cc1ccc(C(=O)Nc2cc([N@H+]3[C@H](C)CCC[C@@H]3C)c(C)cc2N)cc1 ZINC000216867332 132271484 /nfs/dbraw/zinc/27/14/84/132271484.db2.gz DHQWCSVVTYPRSS-CALCHBBNSA-N 1 2 351.494 4.905 40 0 FJABLO Cc1ccc(C(=O)Nc2cc([N@@H+]3[C@H](C)CCC[C@@H]3C)c(C)cc2N)cc1 ZINC000216867332 132271486 /nfs/dbraw/zinc/27/14/86/132271486.db2.gz DHQWCSVVTYPRSS-CALCHBBNSA-N 1 2 351.494 4.905 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(C)cc3C)CC2)cc1 ZINC000219863517 132275134 /nfs/dbraw/zinc/27/51/34/132275134.db2.gz JCJOKXXQODRZME-IBGZPJMESA-N 1 2 350.506 4.706 40 0 FJABLO Cc1cccc(-n2c(=S)n(C[NH+]3CCCCC3)nc2-c2ccccc2)c1 ZINC000004618765 263335242 /nfs/dbraw/zinc/33/52/42/263335242.db2.gz VEBXCLYHPBLDHY-UHFFFAOYSA-N 1 2 364.518 4.822 40 0 FJABLO CCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328973125 528006176 /nfs/dbraw/zinc/00/61/76/528006176.db2.gz DYUREAAVBMTTRB-UHFFFAOYSA-N 1 2 358.367 4.760 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329070222 529356441 /nfs/dbraw/zinc/35/64/41/529356441.db2.gz ZEYCAIVEZAJRAL-CQSZACIVSA-N 1 2 352.869 4.595 40 0 FJABLO CCN(CC)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212867 570528611 /nfs/dbraw/zinc/52/86/11/570528611.db2.gz IKWCJIKIFYYKDD-HXUWFJFHSA-N 1 2 367.493 4.792 40 0 FJABLO CC[C@@H](C)Nc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213495 570529031 /nfs/dbraw/zinc/52/90/31/570529031.db2.gz IXCZFSKNFMMGRP-APWZRJJASA-N 1 2 353.466 4.766 40 0 FJABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213834 570529043 /nfs/dbraw/zinc/52/90/43/570529043.db2.gz KHADHUDVHSNMRR-IBGZPJMESA-N 1 2 351.450 4.520 40 0 FJABLO COc1cccc(OC)c1C[NH2+][C@H](Cc1ccsc1)c1ccc(C)cn1 ZINC000019215434 570881677 /nfs/dbraw/zinc/88/16/77/570881677.db2.gz HSKKFVKBTBTSRM-LJQANCHMSA-N 1 2 368.502 4.542 40 0 FJABLO Cc1sc2c(C3CCN(C(=O)CC4CCCCC4)CC3)[nH+]c(C)n2c1C ZINC000019561798 570893651 /nfs/dbraw/zinc/89/36/51/570893651.db2.gz DNJSQYIVVXLGLB-UHFFFAOYSA-N 1 2 373.566 4.997 40 0 FJABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c(Cl)c1 ZINC000328960505 571105007 /nfs/dbraw/zinc/10/50/07/571105007.db2.gz AYOFWIMCJCVMMB-UHFFFAOYSA-N 1 2 356.901 4.648 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2c(C)cc(C)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000329002404 571106930 /nfs/dbraw/zinc/10/69/30/571106930.db2.gz KICJWXNOJUKPEC-GOSISDBHSA-N 1 2 360.505 4.867 40 0 FJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)cc1F ZINC000329059516 571109028 /nfs/dbraw/zinc/10/90/28/571109028.db2.gz WGZXZFZOBOQABV-UHFFFAOYSA-N 1 2 350.441 4.967 40 0 FJABLO Cc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000329060338 571109207 /nfs/dbraw/zinc/10/92/07/571109207.db2.gz WMFFIQIWSAVPQA-UHFFFAOYSA-N 1 2 372.516 4.653 40 0 FJABLO CCOC(=O)c1cccc(Nc2cc[nH+]c3cc(Cl)c(OC)cc23)c1 ZINC000064874612 571320864 /nfs/dbraw/zinc/32/08/64/571320864.db2.gz LZAQVBLKLQIRCO-UHFFFAOYSA-N 1 2 356.809 4.817 40 0 FJABLO Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000001350173 219397695 /nfs/dbraw/zinc/39/76/95/219397695.db2.gz BBWKDFXGWGRAOT-QGZVFWFLSA-N 1 2 362.477 4.900 40 0 FJABLO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1csc(Nc2ccc(C)cn2)n1 ZINC000257255492 223040367 /nfs/dbraw/zinc/04/03/67/223040367.db2.gz KHSGXRDXIOHEEQ-HNNXBMFYSA-N 1 2 371.535 4.692 40 0 FJABLO Cc1ncsc1C[N@H+]1CCC[C@H]1c1csc(Nc2ccc(C)cn2)n1 ZINC000257255492 223040372 /nfs/dbraw/zinc/04/03/72/223040372.db2.gz KHSGXRDXIOHEEQ-HNNXBMFYSA-N 1 2 371.535 4.692 40 0 FJABLO FC(F)Oc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328996692 223128527 /nfs/dbraw/zinc/12/85/27/223128527.db2.gz JLTMUXUMNABMOQ-UHFFFAOYSA-N 1 2 374.435 4.866 40 0 FJABLO c1nc2c(SCc3ccccc3)[nH][nH+]c(SCc3ccccc3)c-2n1 ZINC000013212737 220061601 /nfs/dbraw/zinc/06/16/01/220061601.db2.gz AJSDRHPUIDLIEA-UHFFFAOYSA-N 1 2 364.499 4.938 40 0 FJABLO CCOc1ccc([C@@H]2[NH2+][C@H](c3nccs3)Cc3ccsc32)cc1OC ZINC000019519857 220266129 /nfs/dbraw/zinc/26/61/29/220266129.db2.gz PECRPKSMBGQWNV-YOEHRIQHSA-N 1 2 372.515 4.588 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2c(C)cccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328957249 206722531 /nfs/dbraw/zinc/72/25/31/206722531.db2.gz AJUBMSDCZLMWNZ-HNNXBMFYSA-N 1 2 366.896 4.903 40 0 FJABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccccc2F)c1C ZINC000019558005 220271035 /nfs/dbraw/zinc/27/10/35/220271035.db2.gz NYAVCEZXUOUHNO-SFHVURJKSA-N 1 2 354.429 4.548 40 0 FJABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2ccccc2F)c1C ZINC000019558005 220271039 /nfs/dbraw/zinc/27/10/39/220271039.db2.gz NYAVCEZXUOUHNO-SFHVURJKSA-N 1 2 354.429 4.548 40 0 FJABLO CCCn1nc(C)c(-c2c[nH+]cn2C[C@H](C)Oc2ccccc2Cl)c1C ZINC000019654540 220280836 /nfs/dbraw/zinc/28/08/36/220280836.db2.gz IHAYEPOSQPLDQS-AWEZNQCLSA-N 1 2 372.900 4.894 40 0 FJABLO CCCn1nc(C)c(-c2c[nH+]cn2[C@H](C)c2ccc3c(c2)CCCO3)c1C ZINC000019654466 220281314 /nfs/dbraw/zinc/28/13/14/220281314.db2.gz PJPJVFKFLVUXSP-MRXNPFEDSA-N 1 2 364.493 4.708 40 0 FJABLO O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044917325 220964885 /nfs/dbraw/zinc/96/48/85/220964885.db2.gz VPNOCVIOGGDSOB-UHFFFAOYSA-N 1 2 361.445 4.505 40 0 FJABLO O=C(OCc1ccccc1)[C@H]1CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000065734636 221235545 /nfs/dbraw/zinc/23/55/45/221235545.db2.gz VTDVMKXDAGMXQS-JOCHJYFZSA-N 1 2 357.453 4.594 40 0 in-vitro FJABLO O=C(OCc1ccccc1)[C@H]1CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000065734636 221235548 /nfs/dbraw/zinc/23/55/48/221235548.db2.gz VTDVMKXDAGMXQS-JOCHJYFZSA-N 1 2 357.453 4.594 40 0 in-vitro FJABLO Cc1cccc(C(=O)Nc2cc([NH+]3[C@H](C)CCC[C@H]3C)c(C)cc2N)c1 ZINC000216867222 132271500 /nfs/dbraw/zinc/27/15/00/132271500.db2.gz RWKJDVZFFSAVQX-IAGOWNOFSA-N 1 2 351.494 4.905 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)cc1 ZINC000219858337 132275107 /nfs/dbraw/zinc/27/51/07/132275107.db2.gz LFLWDWKHRVMZHA-UHFFFAOYSA-N 1 2 352.478 4.637 40 0 FJABLO CCOc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329067597 528557405 /nfs/dbraw/zinc/55/74/05/528557405.db2.gz YJCRMIWVFWCPMQ-UHFFFAOYSA-N 1 2 352.482 4.663 40 0 FJABLO CC(=O)Nc1ccc(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000001581056 570502130 /nfs/dbraw/zinc/50/21/30/570502130.db2.gz RARXGCBORVAPMO-UHFFFAOYSA-N 1 2 372.468 4.530 40 0 FJABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213749 570528876 /nfs/dbraw/zinc/52/88/76/570528876.db2.gz UHHIZLQRAIJHJU-IBGZPJMESA-N 1 2 351.450 4.520 40 0 FJABLO CC[C@H](C)Nc1[nH+]cccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072213384 570529166 /nfs/dbraw/zinc/52/91/66/570529166.db2.gz WYOYIVZDLPJNDS-LPHOPBHVSA-N 1 2 353.466 4.766 40 0 FJABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213869 570529564 /nfs/dbraw/zinc/52/95/64/570529564.db2.gz FPAIAEYNPMBOPY-FQEVSTJZSA-N 1 2 365.477 4.910 40 0 FJABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213868 570529629 /nfs/dbraw/zinc/52/96/29/570529629.db2.gz FPAIAEYNPMBOPY-HXUWFJFHSA-N 1 2 365.477 4.910 40 0 FJABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216037 570533580 /nfs/dbraw/zinc/53/35/80/570533580.db2.gz HPOSJKLJZDDIMI-HXUWFJFHSA-N 1 2 365.477 4.546 40 0 FJABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216678 570533612 /nfs/dbraw/zinc/53/36/12/570533612.db2.gz ATJBOORQKLKZFB-OAQYLSRUSA-N 1 2 363.505 4.829 40 0 FJABLO Cc1sc2c(C3CCN(C(=O)CC4CCCC4)CC3)[nH+]c(C)n2c1C ZINC000019561795 570893750 /nfs/dbraw/zinc/89/37/50/570893750.db2.gz YQKVNYLYHWLRKS-UHFFFAOYSA-N 1 2 359.539 4.607 40 0 FJABLO Cc1nn([C@H](C)Cn2c[nH+]cc2-c2cnn(C3CCCCC3)c2)c(C)c1C ZINC000019654575 570896705 /nfs/dbraw/zinc/89/67/05/570896705.db2.gz LFMIKNPACNPSHY-OAHLLOKOSA-N 1 2 366.513 4.635 40 0 FJABLO c1cc(CN2CCC[C@@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)cs1 ZINC000306134600 571038952 /nfs/dbraw/zinc/03/89/52/571038952.db2.gz NTGPSMZHEIIJES-LJQANCHMSA-N 1 2 360.486 4.795 40 0 FJABLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000044906140 571104506 /nfs/dbraw/zinc/10/45/06/571104506.db2.gz WMRXZAOVEHQMJO-QGZVFWFLSA-N 1 2 361.489 4.720 40 0 FJABLO Clc1cc(Cl)cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1 ZINC000329034296 571108158 /nfs/dbraw/zinc/10/81/58/571108158.db2.gz QXKSFDFMKZXKAS-UHFFFAOYSA-N 1 2 371.271 4.612 40 0 FJABLO Oc1ccccc1-c1[nH+]c2ccc(Br)cn2c1NC1CCCC1 ZINC000000904219 219339305 /nfs/dbraw/zinc/33/93/05/219339305.db2.gz FLSDYSNVSHIZGO-UHFFFAOYSA-N 1 2 372.266 4.824 40 0 FJABLO Cc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329071787 223131786 /nfs/dbraw/zinc/13/17/86/223131786.db2.gz ZSRKNBQDPZGWCU-UHFFFAOYSA-N 1 2 372.516 4.653 40 0 FJABLO COc1ccc2ccccc2c1C[N@H+](Cc1ccncc1)Cc1cccnc1 ZINC000013989674 220100077 /nfs/dbraw/zinc/10/00/77/220100077.db2.gz LASULXILJNGCRV-UHFFFAOYSA-N 1 2 369.468 4.841 40 0 FJABLO COc1ccc2ccccc2c1C[N@@H+](Cc1ccncc1)Cc1cccnc1 ZINC000013989674 220100080 /nfs/dbraw/zinc/10/00/80/220100080.db2.gz LASULXILJNGCRV-UHFFFAOYSA-N 1 2 369.468 4.841 40 0 FJABLO COc1ccc(OC)c(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)cs2)c1 ZINC000019240213 220243513 /nfs/dbraw/zinc/24/35/13/220243513.db2.gz ZNWNCICNVRBRSI-KRWDZBQOSA-N 1 2 374.531 4.604 40 0 FJABLO Cc1cccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4[N@@H+]2Cc2ccoc2)c1 ZINC000019235330 220241233 /nfs/dbraw/zinc/24/12/33/220241233.db2.gz DAIVFVWRPKSNGP-NQIIRXRSSA-N 1 2 370.456 4.560 40 0 FJABLO Cc1cccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4[N@H+]2Cc2ccoc2)c1 ZINC000019235330 220241236 /nfs/dbraw/zinc/24/12/36/220241236.db2.gz DAIVFVWRPKSNGP-NQIIRXRSSA-N 1 2 370.456 4.560 40 0 FJABLO CCCn1nc(C)c(-c2c[nH+]cn2CCCOc2ccccc2C)c1C ZINC000019654547 220281682 /nfs/dbraw/zinc/28/16/82/220281682.db2.gz NVYLNXOCUMAXMT-UHFFFAOYSA-N 1 2 352.482 4.551 40 0 FJABLO CC(C)(C)C[N@@H+]1CCOC[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000067898589 221302595 /nfs/dbraw/zinc/30/25/95/221302595.db2.gz YERRXHHERJHNGX-INIZCTEOSA-N 1 2 367.415 4.515 40 0 biogenic,in-vitro FJABLO CC(C)(C)C[N@H+]1CCOC[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000067898589 221302597 /nfs/dbraw/zinc/30/25/97/221302597.db2.gz YERRXHHERJHNGX-INIZCTEOSA-N 1 2 367.415 4.515 40 0 biogenic,in-vitro FJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000219849100 132274652 /nfs/dbraw/zinc/27/46/52/132274652.db2.gz STPOAYZLONUUIR-UHFFFAOYSA-N 1 2 373.294 4.613 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)N[C@@H](C)c3cc(C)ccc3C)CC2)cc1 ZINC000219860535 132275103 /nfs/dbraw/zinc/27/51/03/132275103.db2.gz SNVZMWNFHYHKBL-IBGZPJMESA-N 1 2 350.506 4.706 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)NCCCc3ccc(Cl)cc3)CC2)cc1 ZINC000219860843 132275236 /nfs/dbraw/zinc/27/52/36/132275236.db2.gz OVGBTXKPZTUEGQ-UHFFFAOYSA-N 1 2 370.924 4.614 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2ccccc2SC)cc(-c2ccccc2)[nH+]1 ZINC000329022189 529357022 /nfs/dbraw/zinc/35/70/22/529357022.db2.gz OLPDZBSDZPBRGN-OAHLLOKOSA-N 1 2 364.518 4.663 40 0 FJABLO COc1ccccc1N(CC(=O)c1ccc(C)cc1C)C1=[NH+]CCCC1 ZINC000008410437 568312269 /nfs/dbraw/zinc/31/22/69/568312269.db2.gz VSVUXLITGQBZRI-UHFFFAOYSA-N 1 2 350.462 4.584 40 0 FJABLO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)CCCC2 ZINC000223137385 568615403 /nfs/dbraw/zinc/61/54/03/568615403.db2.gz AWCTWHDFXKZWEN-HSZRJFAPSA-N 1 2 373.500 4.691 40 0 FJABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213928 570529689 /nfs/dbraw/zinc/52/96/89/570529689.db2.gz OAZQVJPVZXPQRG-HXUWFJFHSA-N 1 2 365.477 4.910 40 0 FJABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216730 570533903 /nfs/dbraw/zinc/53/39/03/570533903.db2.gz QKIYICJJAATMTK-GOSISDBHSA-N 1 2 359.514 4.924 40 0 FJABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216731 570533944 /nfs/dbraw/zinc/53/39/44/570533944.db2.gz QKIYICJJAATMTK-SFHVURJKSA-N 1 2 359.514 4.924 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)[nH+]1 ZINC000243295670 570609802 /nfs/dbraw/zinc/60/98/02/570609802.db2.gz LFVQJGZGCYAIAG-CQSZACIVSA-N 1 2 362.433 4.826 40 0 FJABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)cc1OC ZINC000244161778 570610366 /nfs/dbraw/zinc/61/03/66/570610366.db2.gz UYJDGOLCCXADAZ-UHFFFAOYSA-N 1 2 364.449 4.725 40 0 FJABLO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccccc2Cl)cc1 ZINC000013570232 570833324 /nfs/dbraw/zinc/83/33/24/570833324.db2.gz TWIAEJXPEZREHO-UHFFFAOYSA-N 1 2 352.865 4.946 40 0 FJABLO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccccc2Cl)cc1 ZINC000013570232 570833327 /nfs/dbraw/zinc/83/33/27/570833327.db2.gz TWIAEJXPEZREHO-UHFFFAOYSA-N 1 2 352.865 4.946 40 0 FJABLO Cc1nc2sccn2c1C[N@H+](Cc1ccncc1)Cc1ccc(C)cc1 ZINC000019210151 570881981 /nfs/dbraw/zinc/88/19/81/570881981.db2.gz DJLWFYCBPGJGBH-UHFFFAOYSA-N 1 2 362.502 4.610 40 0 FJABLO Cc1nc2sccn2c1C[N@@H+](Cc1ccncc1)Cc1ccc(C)cc1 ZINC000019210151 570881984 /nfs/dbraw/zinc/88/19/84/570881984.db2.gz DJLWFYCBPGJGBH-UHFFFAOYSA-N 1 2 362.502 4.610 40 0 FJABLO COc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)cs2)c(OC)c1 ZINC000019240234 570884349 /nfs/dbraw/zinc/88/43/49/570884349.db2.gz UVSMMHZHVKDJLC-KRWDZBQOSA-N 1 2 374.531 4.604 40 0 FJABLO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(OC2CCCC2)cc1 ZINC000019586427 570895403 /nfs/dbraw/zinc/89/54/03/570895403.db2.gz UVUJSEAQQVSYDE-UHFFFAOYSA-N 1 2 363.461 4.690 40 0 FJABLO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(OC2CCCC2)cc1 ZINC000019586427 570895405 /nfs/dbraw/zinc/89/54/05/570895405.db2.gz UVUJSEAQQVSYDE-UHFFFAOYSA-N 1 2 363.461 4.690 40 0 FJABLO Cc1ccc(NC2=NC(c3ccccc3)[NH+]=C(Nc3ccc(C)cc3)N2)cc1 ZINC000030874449 571052348 /nfs/dbraw/zinc/05/23/48/571052348.db2.gz MVUPWTFTUCHGMJ-UHFFFAOYSA-N 1 2 369.472 4.841 40 0 FJABLO COc1ccc(C(=O)N2C[N@@H+](C3CCCC3)Cc3c(C)c(C)sc32)cc1 ZINC000005612015 571101689 /nfs/dbraw/zinc/10/16/89/571101689.db2.gz PTUKVGVQKTXVQY-UHFFFAOYSA-N 1 2 370.518 4.736 40 0 FJABLO COc1ccc(C(=O)N2C[N@H+](C3CCCC3)Cc3c(C)c(C)sc32)cc1 ZINC000005612015 571101690 /nfs/dbraw/zinc/10/16/90/571101690.db2.gz PTUKVGVQKTXVQY-UHFFFAOYSA-N 1 2 370.518 4.736 40 0 FJABLO Clc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1Cl ZINC000328967519 571105398 /nfs/dbraw/zinc/10/53/98/571105398.db2.gz CUESPDMYVGYJRU-UHFFFAOYSA-N 1 2 363.292 4.603 40 0 FJABLO Clc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000328981263 571105978 /nfs/dbraw/zinc/10/59/78/571105978.db2.gz GTTAWHMOHIWKJM-UHFFFAOYSA-N 1 2 364.880 4.739 40 0 FJABLO Oc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329034802 571108145 /nfs/dbraw/zinc/10/81/45/571108145.db2.gz RAEWAGSTHRORJV-UHFFFAOYSA-N 1 2 360.461 4.759 40 0 FJABLO CCOC(=O)c1ccc(Nc2cc[nH+]c3cc(Cl)c(OC)cc23)cc1 ZINC000064874609 571320901 /nfs/dbraw/zinc/32/09/01/571320901.db2.gz XHODRVWNLBEBDG-UHFFFAOYSA-N 1 2 356.809 4.817 40 0 FJABLO CCc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CC)n1 ZINC000329010856 529733645 /nfs/dbraw/zinc/73/36/45/529733645.db2.gz MCUXZXZVBSGVBX-KRWDZBQOSA-N 1 2 360.505 4.812 40 0 FJABLO S=C(NCCSCc1ccc(Cl)c(Cl)c1)Nc1cc[nH+]cc1 ZINC000225347231 209806813 /nfs/dbraw/zinc/80/68/13/209806813.db2.gz LVZDYNYDUUBKKH-UHFFFAOYSA-N 1 2 372.346 4.608 40 0 FJABLO Cc1ccc(NC(=O)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000001350180 219397629 /nfs/dbraw/zinc/39/76/29/219397629.db2.gz BBWKDFXGWGRAOT-KRWDZBQOSA-N 1 2 362.477 4.900 40 0 FJABLO c1ccc(-c2cc(NCc3ccccn3)nc(NC3CCCCC3)[nH+]2)cc1 ZINC000243344959 209366159 /nfs/dbraw/zinc/36/61/59/209366159.db2.gz LUZLPLHNDBGSCT-UHFFFAOYSA-N 1 2 359.477 4.895 40 0 FJABLO Cc1nc2cc(Nc3cc(C4CC4)[nH+]c(NC(C)(C)C)n3)ccc2s1 ZINC000329013153 223129705 /nfs/dbraw/zinc/12/97/05/223129705.db2.gz MPGKEBJYADCBFP-UHFFFAOYSA-N 1 2 353.495 4.648 40 0 FJABLO Clc1ccc(CO[C@H](C[NH+]2CCOCC2)c2ccccc2)c(Cl)c1 ZINC000031912451 208020329 /nfs/dbraw/zinc/02/03/29/208020329.db2.gz SOVGXSDOPRUICL-LJQANCHMSA-N 1 2 366.288 4.584 40 0 FJABLO COc1ccc(C(=O)N2C[N@@H+](C(C)(C)C)Cc3c(C)c(C)sc32)cc1 ZINC000054350456 221052863 /nfs/dbraw/zinc/05/28/63/221052863.db2.gz OEPXBIAIRJLKLT-UHFFFAOYSA-N 1 2 358.507 4.592 40 0 FJABLO COc1ccc(C(=O)N2C[N@H+](C(C)(C)C)Cc3c(C)c(C)sc32)cc1 ZINC000054350456 221052866 /nfs/dbraw/zinc/05/28/66/221052866.db2.gz OEPXBIAIRJLKLT-UHFFFAOYSA-N 1 2 358.507 4.592 40 0 FJABLO Cc1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329067246 534729228 /nfs/dbraw/zinc/72/92/28/534729228.db2.gz YGWABDQULGADQJ-UHFFFAOYSA-N 1 2 356.901 4.648 40 0 FJABLO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)CCCC2 ZINC000223137431 568615240 /nfs/dbraw/zinc/61/52/40/568615240.db2.gz AWCTWHDFXKZWEN-QHCPKHFHSA-N 1 2 373.500 4.691 40 0 FJABLO CCCNc1[nH+]cccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072213164 570528600 /nfs/dbraw/zinc/52/86/00/570528600.db2.gz LMKACBYLVNFNPX-IBGZPJMESA-N 1 2 353.466 4.767 40 0 FJABLO CCCCNc1[nH+]cccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072213593 570529285 /nfs/dbraw/zinc/52/92/85/570529285.db2.gz GGIJOOOLZLHCLR-IBGZPJMESA-N 1 2 353.466 4.767 40 0 FJABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216097 570533621 /nfs/dbraw/zinc/53/36/21/570533621.db2.gz NABXRRQBIZUEBW-HXUWFJFHSA-N 1 2 365.477 4.546 40 0 FJABLO Cc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]c1N1CCCCC1 ZINC000072219196 570534193 /nfs/dbraw/zinc/53/41/93/570534193.db2.gz PTVRJNQIUTWKSW-NRFANRHFSA-N 1 2 363.505 4.748 40 0 FJABLO CC1(C)CN(Cc2ccccc2)[C@@H]2O[C@H]1[N@H+](Cc1ccccc1)CC2(C)C ZINC000005431083 570626718 /nfs/dbraw/zinc/62/67/18/570626718.db2.gz GQSOREWAUAURHY-FGZHOGPDSA-N 1 2 364.533 4.739 40 0 FJABLO CC1(C)CN(Cc2ccccc2)[C@@H]2O[C@H]1[N@@H+](Cc1ccccc1)CC2(C)C ZINC000005431083 570626719 /nfs/dbraw/zinc/62/67/19/570626719.db2.gz GQSOREWAUAURHY-FGZHOGPDSA-N 1 2 364.533 4.739 40 0 FJABLO Cc1[nH+]c2ccccc2n1CCCC(=O)Nc1c(C)ccc2nc(C)ccc21 ZINC000019717630 570900343 /nfs/dbraw/zinc/90/03/43/570900343.db2.gz IFGCPNQYQUUYFQ-UHFFFAOYSA-N 1 2 372.472 4.929 40 0 FJABLO CC[N@H+](CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 ZINC000224992846 571009234 /nfs/dbraw/zinc/00/92/34/571009234.db2.gz QAKDJQICNRSLDL-UHFFFAOYSA-N 1 2 374.912 4.530 40 0 FJABLO CC[N@@H+](CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 ZINC000224992846 571009238 /nfs/dbraw/zinc/00/92/38/571009238.db2.gz QAKDJQICNRSLDL-UHFFFAOYSA-N 1 2 374.912 4.530 40 0 FJABLO O=S(=O)(Nc1ccc([NH+]2CCCCC2)cc1)c1ccc2ccccc2c1 ZINC000033661361 571065962 /nfs/dbraw/zinc/06/59/62/571065962.db2.gz WLYWHDMFGCNWJB-UHFFFAOYSA-N 1 2 366.486 4.631 40 0 FJABLO CCCn1nc(C)c(-c2c[nH+]cn2CCCOc2cccc(C)c2)c1C ZINC000034633913 571073603 /nfs/dbraw/zinc/07/36/03/571073603.db2.gz MQMRGFWBSQLHBH-UHFFFAOYSA-N 1 2 352.482 4.551 40 0 FJABLO CC(C)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328988991 571106295 /nfs/dbraw/zinc/10/62/95/571106295.db2.gz IHFWHTUQLCSVHE-UHFFFAOYSA-N 1 2 373.287 4.858 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2ccc(C)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328991846 571106638 /nfs/dbraw/zinc/10/66/38/571106638.db2.gz ISMYHQAPMURNKH-HNNXBMFYSA-N 1 2 366.896 4.903 40 0 FJABLO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+]3Cc3ccc(F)c(F)c3)o2)s1 ZINC000060016745 571136058 /nfs/dbraw/zinc/13/60/58/571136058.db2.gz BOAWOYLNNKBKLA-OAHLLOKOSA-N 1 2 361.417 4.722 40 0 FJABLO Cc1ccc(-c2nnc([C@H]3CCC[N@H+]3Cc3ccc(F)c(F)c3)o2)s1 ZINC000060016745 571136060 /nfs/dbraw/zinc/13/60/60/571136060.db2.gz BOAWOYLNNKBKLA-OAHLLOKOSA-N 1 2 361.417 4.722 40 0 FJABLO CCCCc1[nH]c(CN(Cc2ccccc2CO)c2ccc(F)cc2)c[nH+]1 ZINC000257257166 571155073 /nfs/dbraw/zinc/15/50/73/571155073.db2.gz KOIQAZHOOICUSA-UHFFFAOYSA-N 1 2 367.468 4.591 40 0 FJABLO CCCCc1[nH]cc(CN(Cc2ccccc2CO)c2ccc(F)cc2)[nH+]1 ZINC000257257166 571155075 /nfs/dbraw/zinc/15/50/75/571155075.db2.gz KOIQAZHOOICUSA-UHFFFAOYSA-N 1 2 367.468 4.591 40 0 FJABLO S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1cc[nH+]cc1 ZINC000224002445 209774501 /nfs/dbraw/zinc/77/45/01/209774501.db2.gz XPLFHHIKRXJHAT-UHFFFAOYSA-N 1 2 359.926 4.924 40 0 FJABLO c1ccc(-c2cc(NCc3cccnc3)nc(NC3CCCCC3)[nH+]2)cc1 ZINC000243696663 209366245 /nfs/dbraw/zinc/36/62/45/209366245.db2.gz PKEJJMBTTJPPNU-UHFFFAOYSA-N 1 2 359.477 4.895 40 0 FJABLO Clc1ccc(Cl)c(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329010775 223129849 /nfs/dbraw/zinc/12/98/49/223129849.db2.gz MBMXUQIVFCPLNS-UHFFFAOYSA-N 1 2 363.292 4.603 40 0 FJABLO COc1cc2c(cc1C[NH2+][C@H](Cc1ccsc1)c1nccs1)CCC2 ZINC000019550642 220272099 /nfs/dbraw/zinc/27/20/99/220272099.db2.gz WPKCRIPLIQRECE-GOSISDBHSA-N 1 2 370.543 4.776 40 0 FJABLO CCOc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)cc(N)[nH+]2)cc1 ZINC000049468071 221023219 /nfs/dbraw/zinc/02/32/19/221023219.db2.gz FLSLIKWCXMAXGO-UHFFFAOYSA-N 1 2 354.841 4.830 40 0 FJABLO CCOc1ccc(-c2nc(N)cc(Nc3ccc(C)c(Cl)c3)[nH+]2)cc1 ZINC000049468071 221023224 /nfs/dbraw/zinc/02/32/24/221023224.db2.gz FLSLIKWCXMAXGO-UHFFFAOYSA-N 1 2 354.841 4.830 40 0 FJABLO CC[C@H](NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1)c1ccc(C)cc1 ZINC000219863664 132275129 /nfs/dbraw/zinc/27/51/29/132275129.db2.gz LFAQNTURCMDOPF-QFIPXVFZSA-N 1 2 350.506 4.787 40 0 FJABLO COc1ccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1Cl ZINC000219852978 132275157 /nfs/dbraw/zinc/27/51/57/132275157.db2.gz YWMLRWPNUAFQCC-UHFFFAOYSA-N 1 2 358.869 4.512 40 0 FJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1F ZINC000329024523 524989235 /nfs/dbraw/zinc/98/92/35/524989235.db2.gz PAJLIBYXROOOIO-UHFFFAOYSA-N 1 2 362.452 4.533 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328980026 529356956 /nfs/dbraw/zinc/35/69/56/529356956.db2.gz GKPROWGNYNMEDA-CYBMUJFWSA-N 1 2 370.859 4.734 40 0 FJABLO CCOC(=O)c1c[nH+]c2cc(C)cc(C)c2c1Nc1ccc2c(c1)OCO2 ZINC000001586169 570502040 /nfs/dbraw/zinc/50/20/40/570502040.db2.gz LHYZGKJVZQFXFY-UHFFFAOYSA-N 1 2 364.401 4.501 40 0 FJABLO CC(C)CNc1[nH+]cccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072213250 570528388 /nfs/dbraw/zinc/52/83/88/570528388.db2.gz SUEYFLPALSHLDX-LJQANCHMSA-N 1 2 353.466 4.623 40 0 FJABLO CC(C)N(c1[nH+]cccc1[C@@H]1CCCN1C(=O)c1ccccc1)C(C)C ZINC000072213023 570528441 /nfs/dbraw/zinc/52/84/41/570528441.db2.gz MIOCTVJWVAVRFG-FQEVSTJZSA-N 1 2 351.494 4.682 40 0 FJABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213748 570528993 /nfs/dbraw/zinc/52/89/93/570528993.db2.gz UHHIZLQRAIJHJU-LJQANCHMSA-N 1 2 351.450 4.520 40 0 FJABLO CCCCNc1[nH+]cccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072213594 570529058 /nfs/dbraw/zinc/52/90/58/570529058.db2.gz GGIJOOOLZLHCLR-LJQANCHMSA-N 1 2 353.466 4.767 40 0 FJABLO CC[C@@H](C)Nc1[nH+]cccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072213385 570529095 /nfs/dbraw/zinc/52/90/95/570529095.db2.gz WYOYIVZDLPJNDS-VQIMIIECSA-N 1 2 353.466 4.766 40 0 FJABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216670 570533498 /nfs/dbraw/zinc/53/34/98/570533498.db2.gz JPHUJLWPUUCRET-GOSISDBHSA-N 1 2 359.514 4.924 40 0 FJABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216738 570533992 /nfs/dbraw/zinc/53/39/92/570533992.db2.gz NYOXBJVBMAHCJR-OAQYLSRUSA-N 1 2 363.505 4.829 40 0 FJABLO Clc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000244512717 570610350 /nfs/dbraw/zinc/61/03/50/570610350.db2.gz ZNUBIRSIAOYSJC-UHFFFAOYSA-N 1 2 350.853 4.983 40 0 FJABLO C=C1[NH+]=C(SCC)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408990552 570708762 /nfs/dbraw/zinc/70/87/62/570708762.db2.gz OBFVVGGSILFXAV-CQSZACIVSA-N 1 2 373.305 4.584 40 0 FJABLO Cc1cc2[nH]c([C@H]3CCCN(C(=S)NC4CCCCC4)C3)[nH+]c2cc1C ZINC000012878985 570817346 /nfs/dbraw/zinc/81/73/46/570817346.db2.gz FOCNJBOKFDEEEW-INIZCTEOSA-N 1 2 370.566 4.566 40 0 FJABLO CCn1c(C[N@H+](Cc2ccncc2)Cc2ccc(C)cc2)nc2ccccc21 ZINC000013989316 570840529 /nfs/dbraw/zinc/84/05/29/570840529.db2.gz SXDNGBWLECXHIQ-UHFFFAOYSA-N 1 2 370.500 4.962 40 0 FJABLO CCn1c(C[N@@H+](Cc2ccncc2)Cc2ccc(C)cc2)nc2ccccc21 ZINC000013989316 570840530 /nfs/dbraw/zinc/84/05/30/570840530.db2.gz SXDNGBWLECXHIQ-UHFFFAOYSA-N 1 2 370.500 4.962 40 0 FJABLO COc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000019570419 570893982 /nfs/dbraw/zinc/89/39/82/570893982.db2.gz HKGODNFOZAJXFL-MRXNPFEDSA-N 1 2 355.463 4.534 40 0 FJABLO COc1ccccc1C[N@H+]1CCCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000019570419 570893985 /nfs/dbraw/zinc/89/39/85/570893985.db2.gz HKGODNFOZAJXFL-MRXNPFEDSA-N 1 2 355.463 4.534 40 0 FJABLO Cc1[nH+]c2ccccc2n1CCCC(=O)Nc1cc(C)cc2cccnc21 ZINC000019665167 570897973 /nfs/dbraw/zinc/89/79/73/570897973.db2.gz WJLRLCPWIRCLAD-UHFFFAOYSA-N 1 2 358.445 4.620 40 0 FJABLO S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1cc[nH+]cc1 ZINC000223997160 570973967 /nfs/dbraw/zinc/97/39/67/570973967.db2.gz NGZQOJYSBMQGQI-UHFFFAOYSA-N 1 2 359.926 4.924 40 0 FJABLO CC[N@H+](CCCNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000224982287 571008933 /nfs/dbraw/zinc/00/89/33/571008933.db2.gz FBMIDKWEZCPGAC-UHFFFAOYSA-N 1 2 372.512 4.929 40 0 FJABLO CC[N@@H+](CCCNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000224982287 571008934 /nfs/dbraw/zinc/00/89/34/571008934.db2.gz FBMIDKWEZCPGAC-UHFFFAOYSA-N 1 2 372.512 4.929 40 0 FJABLO COC(=O)c1ccc(Nc2cc[nH+]c3ccc(Br)cc23)cc1 ZINC000040175588 571027237 /nfs/dbraw/zinc/02/72/37/571027237.db2.gz VOUGMBIOHJWRAP-UHFFFAOYSA-N 1 2 357.207 4.528 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2c(C)cccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328957271 571104686 /nfs/dbraw/zinc/10/46/86/571104686.db2.gz AJUBMSDCZLMWNZ-OAHLLOKOSA-N 1 2 366.896 4.903 40 0 FJABLO CC(C)(C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329019849 571107489 /nfs/dbraw/zinc/10/74/89/571107489.db2.gz NYOZVQPOOZWMKC-UHFFFAOYSA-N 1 2 366.387 4.629 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329061678 571109298 /nfs/dbraw/zinc/10/92/98/571109298.db2.gz WSMYWHPABDFEPI-AWEZNQCLSA-N 1 2 352.869 4.595 40 0 FJABLO Clc1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329065487 571109308 /nfs/dbraw/zinc/10/93/08/571109308.db2.gz XSGNHLFAHZSGIO-UHFFFAOYSA-N 1 2 363.292 4.603 40 0 FJABLO COc1cc2[nH+]c(Cc3ccc(Cl)cc3)[nH]c2c(Br)c1 ZINC000216912374 571153632 /nfs/dbraw/zinc/15/36/32/571153632.db2.gz XKMCTLBZDRVMSX-UHFFFAOYSA-N 1 2 351.631 4.578 40 0 FJABLO Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=[NH+]Nc1ccccc1 ZINC000005360648 571294895 /nfs/dbraw/zinc/29/48/95/571294895.db2.gz JATFPAPIXJORGC-HAVVHWLPSA-N 1 2 359.477 4.617 40 0 FJABLO CC[C@H](C)Nc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328980027 529701807 /nfs/dbraw/zinc/70/18/07/529701807.db2.gz GKPROWGNYNMEDA-ZDUSSCGKSA-N 1 2 370.859 4.734 40 0 FJABLO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000328965878 223127157 /nfs/dbraw/zinc/12/71/57/223127157.db2.gz CFXFEXRJSHCSEO-UHFFFAOYSA-N 1 2 364.880 4.576 40 0 FJABLO c1ccc(N/N=c2\c3cccc4cccc(c34)\c2=[NH+]/Nc2ccccc2)cc1 ZINC000017949629 220220493 /nfs/dbraw/zinc/22/04/93/220220493.db2.gz GBXHWTQWOXMXIC-LMCGJEQXSA-N 1 2 362.436 4.724 40 0 FJABLO CCc1ccc(C(=O)CN(c2ccccc2OC)C2=[NH+]CCCC2)cc1 ZINC000006870932 207173640 /nfs/dbraw/zinc/17/36/40/207173640.db2.gz SNMDZUWBTYYMRR-UHFFFAOYSA-N 1 2 350.462 4.529 40 0 FJABLO O=C(CN(c1ccc(Br)cc1)C1=[NH+]CCCC1)c1ccccc1 ZINC000008435926 207233673 /nfs/dbraw/zinc/23/36/73/207233673.db2.gz HIFQLNGUUWGRPS-UHFFFAOYSA-N 1 2 371.278 4.721 40 0 FJABLO Cc1nn(C[C@@H](C)c2cc(NCc3ccc(C)cc3)nc(C)[nH+]2)c(C)c1C ZINC000019717891 207705925 /nfs/dbraw/zinc/70/59/25/207705925.db2.gz FUBJWKCOZWOLCL-OAHLLOKOSA-N 1 2 363.509 4.631 40 0 FJABLO COC(=O)c1cccc(Nc2cc[nH+]c3ccc(Br)cc23)c1 ZINC000040175591 208241678 /nfs/dbraw/zinc/24/16/78/208241678.db2.gz QSBRDBUXNFSBRW-UHFFFAOYSA-N 1 2 357.207 4.528 40 0 FJABLO CCOc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)cc(N)[nH+]2)cc1 ZINC000049468067 221022867 /nfs/dbraw/zinc/02/28/67/221022867.db2.gz CNFFNJBAMBXJCR-UHFFFAOYSA-N 1 2 374.366 4.887 40 0 FJABLO CCOc1ccc(-c2nc(N)cc(Nc3cccc(C(F)(F)F)c3)[nH+]2)cc1 ZINC000049468067 221022868 /nfs/dbraw/zinc/02/28/68/221022868.db2.gz CNFFNJBAMBXJCR-UHFFFAOYSA-N 1 2 374.366 4.887 40 0 FJABLO Cc1ccc(C(=O)Nc2cc([NH+]3[C@@H](C)CCC[C@@H]3C)c(C)cc2N)cc1 ZINC000216867366 132271800 /nfs/dbraw/zinc/27/18/00/132271800.db2.gz DHQWCSVVTYPRSS-IRXDYDNUSA-N 1 2 351.494 4.905 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000219849942 132274690 /nfs/dbraw/zinc/27/46/90/132274690.db2.gz CJWRSKFSEFBUAK-UHFFFAOYSA-N 1 2 362.395 4.869 40 0 FJABLO c1csc(CN2CCC[C@@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)c1 ZINC000306123359 534520986 /nfs/dbraw/zinc/52/09/86/534520986.db2.gz AKXDYIKPQILULJ-LJQANCHMSA-N 1 2 360.486 4.795 40 0 FJABLO CCN(CC)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212866 570528476 /nfs/dbraw/zinc/52/84/76/570528476.db2.gz IKWCJIKIFYYKDD-FQEVSTJZSA-N 1 2 367.493 4.792 40 0 FJABLO CC(C)CNc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213309 570528550 /nfs/dbraw/zinc/52/85/50/570528550.db2.gz DHPNYBNTVXFDEY-IBGZPJMESA-N 1 2 353.466 4.623 40 0 FJABLO CC[C@@H](C)Nc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213497 570528869 /nfs/dbraw/zinc/52/88/69/570528869.db2.gz IXCZFSKNFMMGRP-VQIMIIECSA-N 1 2 353.466 4.766 40 0 FJABLO CCCCNc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213654 570528906 /nfs/dbraw/zinc/52/89/06/570528906.db2.gz CAPJYAPRYXWKCM-LJQANCHMSA-N 1 2 353.466 4.767 40 0 FJABLO CC[C@H](C)Nc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213496 570529249 /nfs/dbraw/zinc/52/92/49/570529249.db2.gz IXCZFSKNFMMGRP-LPHOPBHVSA-N 1 2 353.466 4.766 40 0 FJABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213954 570529700 /nfs/dbraw/zinc/52/97/00/570529700.db2.gz DCIGVMAQQVMNTR-FQEVSTJZSA-N 1 2 365.477 4.910 40 0 FJABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216098 570533467 /nfs/dbraw/zinc/53/34/67/570533467.db2.gz NABXRRQBIZUEBW-FQEVSTJZSA-N 1 2 365.477 4.546 40 0 FJABLO COc1cccc(OC)c1C[NH2+][C@@H](Cc1ccsc1)c1ccc(C)cn1 ZINC000019215432 570881920 /nfs/dbraw/zinc/88/19/20/570881920.db2.gz HSKKFVKBTBTSRM-IBGZPJMESA-N 1 2 368.502 4.542 40 0 FJABLO Cc1ccc([C@@H]2CCCN2C(=O)c2ccccc2Cn2cc[nH+]c2)cc1C ZINC000019213867 570881998 /nfs/dbraw/zinc/88/19/98/570881998.db2.gz NTRDJSOGZCPLDN-QFIPXVFZSA-N 1 2 359.473 4.526 40 0 FJABLO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cc1F ZINC000019292938 570884593 /nfs/dbraw/zinc/88/45/93/570884593.db2.gz BDHAZPFWOGMVKG-INIZCTEOSA-N 1 2 361.417 4.804 40 0 FJABLO Fc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cc1F ZINC000019292938 570884596 /nfs/dbraw/zinc/88/45/96/570884596.db2.gz BDHAZPFWOGMVKG-INIZCTEOSA-N 1 2 361.417 4.804 40 0 FJABLO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1F ZINC000019292937 570884618 /nfs/dbraw/zinc/88/46/18/570884618.db2.gz BDHAZPFWOGMVKG-MRXNPFEDSA-N 1 2 361.417 4.804 40 0 FJABLO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1F ZINC000019292937 570884621 /nfs/dbraw/zinc/88/46/21/570884621.db2.gz BDHAZPFWOGMVKG-MRXNPFEDSA-N 1 2 361.417 4.804 40 0 FJABLO OCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000044383354 571101869 /nfs/dbraw/zinc/10/18/69/571101869.db2.gz JEVPOYFZJLLZIA-UHFFFAOYSA-N 1 2 368.480 4.648 40 0 FJABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)ccc1C(C)C ZINC000328974240 571105704 /nfs/dbraw/zinc/10/57/04/571105704.db2.gz FERKSOVHBGSUHR-HXUWFJFHSA-N 1 2 368.525 4.958 40 0 FJABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)ccc1C(C)C ZINC000328974236 571105716 /nfs/dbraw/zinc/10/57/16/571105716.db2.gz FERKSOVHBGSUHR-FQEVSTJZSA-N 1 2 368.525 4.958 40 0 FJABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)ccc1Cl ZINC000329018924 571107449 /nfs/dbraw/zinc/10/74/49/571107449.db2.gz NTSGDBGOGIPOFO-UHFFFAOYSA-N 1 2 350.853 4.845 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000329032290 571107904 /nfs/dbraw/zinc/10/79/04/571107904.db2.gz QOTBYBRIKSJPTO-LLVKDONJSA-N 1 2 350.388 4.749 40 0 FJABLO CC(C)(C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329038650 571108178 /nfs/dbraw/zinc/10/81/78/571108178.db2.gz RTVXGOKVBRHBDV-UHFFFAOYSA-N 1 2 367.280 4.742 40 0 FJABLO CCOC(=O)c1ccc(Nc2cc[nH+]c3ccc(Br)cc23)cc1 ZINC000040175589 571167930 /nfs/dbraw/zinc/16/79/30/571167930.db2.gz QYJWSWIFKMFTOI-UHFFFAOYSA-N 1 2 371.234 4.918 40 0 FJABLO Cc1ccccc1OC[C@H](O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000076556323 571205079 /nfs/dbraw/zinc/20/50/79/571205079.db2.gz IVWMUACRHHQSPC-LJQANCHMSA-N 1 2 364.489 4.832 40 0 FJABLO Clc1ccc(Cl)c(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1 ZINC000328997285 223127965 /nfs/dbraw/zinc/12/79/65/223127965.db2.gz JNSVHKSMZCWHIU-UHFFFAOYSA-N 1 2 371.271 4.612 40 0 FJABLO COc1ccc(C[N@H+](Cc2ccc(C)s2)Cc2ccncc2)c(OC)c1 ZINC000013989848 220099909 /nfs/dbraw/zinc/09/99/09/220099909.db2.gz SVYFSHDHOCNOHF-UHFFFAOYSA-N 1 2 368.502 4.671 40 0 FJABLO COc1ccc(C[N@@H+](Cc2ccc(C)s2)Cc2ccncc2)c(OC)c1 ZINC000013989848 220099913 /nfs/dbraw/zinc/09/99/13/220099913.db2.gz SVYFSHDHOCNOHF-UHFFFAOYSA-N 1 2 368.502 4.671 40 0 FJABLO c1ccc(N/N=c2\c3cccc4cccc(c34)\c2=[NH+]\Nc2ccccc2)cc1 ZINC000017949626 220219579 /nfs/dbraw/zinc/21/95/79/220219579.db2.gz GBXHWTQWOXMXIC-VRQWBOTBSA-N 1 2 362.436 4.724 40 0 FJABLO c1ccc(N/N=c2/c3cccc4cccc(c34)/c2=[NH+]\Nc2ccccc2)cc1 ZINC000017949626 220219584 /nfs/dbraw/zinc/21/95/84/220219584.db2.gz GBXHWTQWOXMXIC-VRQWBOTBSA-N 1 2 362.436 4.724 40 0 FJABLO O=C(OCc1ccccc1)[C@@H]1CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000065734634 221235407 /nfs/dbraw/zinc/23/54/07/221235407.db2.gz VTDVMKXDAGMXQS-QFIPXVFZSA-N 1 2 357.453 4.594 40 0 in-vitro FJABLO O=C(OCc1ccccc1)[C@@H]1CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000065734634 221235410 /nfs/dbraw/zinc/23/54/10/221235410.db2.gz VTDVMKXDAGMXQS-QFIPXVFZSA-N 1 2 357.453 4.594 40 0 in-vitro FJABLO Cc1cc(N2CCc3ccccc3C2)nc(Nc2cccc(Cl)c2)[nH+]1 ZINC000243332760 132249478 /nfs/dbraw/zinc/24/94/78/132249478.db2.gz LPURTNCEYVKHRR-UHFFFAOYSA-N 1 2 350.853 4.745 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)N[C@H](C)c3cc(C)ccc3C)CC2)cc1 ZINC000219860572 132275038 /nfs/dbraw/zinc/27/50/38/132275038.db2.gz SNVZMWNFHYHKBL-LJQANCHMSA-N 1 2 350.506 4.706 40 0 FJABLO Cc1ccc([NH+]2CCC(C(=O)N[C@H](C)c3ccc(C)c(C)c3)CC2)cc1 ZINC000219865338 132275096 /nfs/dbraw/zinc/27/50/96/132275096.db2.gz LPHWQSLCDROHCZ-LJQANCHMSA-N 1 2 350.506 4.706 40 0 FJABLO O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000020490184 527607794 /nfs/dbraw/zinc/60/77/94/527607794.db2.gz DTDGWSAUJFQLJH-SOFGYWHQSA-N 1 2 372.255 4.509 40 0 FJABLO O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000019934694 527607970 /nfs/dbraw/zinc/60/79/70/527607970.db2.gz XAKSRTRTLJPMTO-XBXARRHUSA-N 1 2 372.255 4.509 40 0 FJABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C2CC2)[nH+]1 ZINC000328979964 529025453 /nfs/dbraw/zinc/02/54/53/529025453.db2.gz GJHBZUMDVPXCQK-IBGZPJMESA-N 1 2 368.525 4.824 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328968082 529356932 /nfs/dbraw/zinc/35/69/32/529356932.db2.gz CXPLRLIQJIXNNF-CYBMUJFWSA-N 1 2 370.859 4.734 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2ccc(C)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328991847 529356946 /nfs/dbraw/zinc/35/69/46/529356946.db2.gz ISMYHQAPMURNKH-OAHLLOKOSA-N 1 2 366.896 4.903 40 0 FJABLO CC[C@@H](C)Nc1nc(Nc2ccc(F)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000329030721 529357324 /nfs/dbraw/zinc/35/73/24/529357324.db2.gz QFFADJOAFKIPDY-OAHLLOKOSA-N 1 2 350.441 4.967 40 0 FJABLO CCCNc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213225 570528375 /nfs/dbraw/zinc/52/83/75/570528375.db2.gz WJZAQDFMGNUPFU-LJQANCHMSA-N 1 2 353.466 4.767 40 0 FJABLO CC(C)N(c1ccc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]1)C(C)C ZINC000072212964 570528496 /nfs/dbraw/zinc/52/84/96/570528496.db2.gz NSDSGTSJZHMRLH-HXUWFJFHSA-N 1 2 351.494 4.682 40 0 FJABLO CCN(CC)c1[nH+]cccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072212927 570528539 /nfs/dbraw/zinc/52/85/39/570528539.db2.gz VFHQVEXBSWPTHO-HXUWFJFHSA-N 1 2 367.493 4.792 40 0 FJABLO CCCCNc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213653 570528973 /nfs/dbraw/zinc/52/89/73/570528973.db2.gz CAPJYAPRYXWKCM-IBGZPJMESA-N 1 2 353.466 4.767 40 0 FJABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213894 570529424 /nfs/dbraw/zinc/52/94/24/570529424.db2.gz BRVLXEGRVYJSQY-IBGZPJMESA-N 1 2 351.450 4.520 40 0 FJABLO Clc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000242778756 570609107 /nfs/dbraw/zinc/60/91/07/570609107.db2.gz DVPFPHXZDAXPNP-UHFFFAOYSA-N 1 2 350.853 4.983 40 0 FJABLO CC(C)(C)Nc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)[nH+]1 ZINC000243082678 570609883 /nfs/dbraw/zinc/60/98/83/570609883.db2.gz IRRHRFXOXMXNNG-UHFFFAOYSA-N 1 2 362.433 4.826 40 0 FJABLO c1ccc(-c2cc(Nc3ccc4c(c3)OCO4)nc(NC3CCCC3)[nH+]2)cc1 ZINC000243069558 570609969 /nfs/dbraw/zinc/60/99/69/570609969.db2.gz IKHWFKREZGRBDK-UHFFFAOYSA-N 1 2 374.444 4.970 40 0 FJABLO S=C(Nc1cc[nH+]cc1)NC1(CCc2ccc(Cl)cc2)CCCC1 ZINC000225874679 571077210 /nfs/dbraw/zinc/07/72/10/571077210.db2.gz NDASGMDFHJWZOB-UHFFFAOYSA-N 1 2 359.926 4.967 40 0 FJABLO Clc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1Cl ZINC000329045431 571108401 /nfs/dbraw/zinc/10/84/01/571108401.db2.gz TUXWBZCAFZMEQB-UHFFFAOYSA-N 1 2 363.292 4.603 40 0 FJABLO Cc1cccc(C(=O)Nc2cc([NH+]3[C@@H](C)CCC[C@@H]3C)c(C)cc2N)c1 ZINC000216867274 571149539 /nfs/dbraw/zinc/14/95/39/571149539.db2.gz RWKJDVZFFSAVQX-IRXDYDNUSA-N 1 2 351.494 4.905 40 0 FJABLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000072365990 571184716 /nfs/dbraw/zinc/18/47/16/571184716.db2.gz XGIAORBUXVOASQ-UHFFFAOYSA-N 1 2 372.472 4.557 40 0 FJABLO