smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022485806 519837972 /nfs/dbraw/zinc/83/79/72/519837972.db2.gz LRSMKTONPNHYAH-UHFFFAOYSA-N 1 2 427.570 3.534 40 0 IHABLO C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464091 524008547 /nfs/dbraw/zinc/00/85/47/524008547.db2.gz CSHUZPQXZDULQP-ZFWWWQNUSA-N 1 2 426.439 3.933 40 0 biogenic,in-vitro IHABLO C[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464091 524008549 /nfs/dbraw/zinc/00/85/49/524008549.db2.gz CSHUZPQXZDULQP-ZFWWWQNUSA-N 1 2 426.439 3.933 40 0 biogenic,in-vitro IHABLO COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4[nH+]c5ccccc5n4C)C3)c2c1 ZINC000012116453 525491627 /nfs/dbraw/zinc/49/16/27/525491627.db2.gz LOBINIGLGZMSOM-SFHVURJKSA-N 1 2 431.540 3.639 40 0 IHABLO c1coc(-c2nc(NC[C@H](c3ccccc3)[NH+]3CCOCC3)ncc2-c2cnccn2)c1 ZINC000072338710 526562026 /nfs/dbraw/zinc/56/20/26/526562026.db2.gz NUIJQJZDXISNCM-OAQYLSRUSA-N 1 2 428.496 3.679 40 0 IHABLO COc1ccc(Cn2nnnc2[C@@H](C(C)C)[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000013504892 536593493 /nfs/dbraw/zinc/59/34/93/536593493.db2.gz GSDZSGIGSSKZPE-XMMPIXPASA-N 1 2 434.588 3.866 40 0 IHABLO COc1ccc(Cn2nnnc2[C@H](CC(C)C)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000013504907 536594868 /nfs/dbraw/zinc/59/48/68/536594868.db2.gz AFAQCDNAIDSTNK-QHCPKHFHSA-N 1 2 438.551 3.779 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3C(C)(C)C)cc2c1 ZINC000000925642 555584959 /nfs/dbraw/zinc/58/49/59/555584959.db2.gz NTMTWZHNNRBCAW-UHFFFAOYSA-N 1 2 430.556 3.823 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3C(C)(C)C)cc2c1 ZINC000000925642 555584961 /nfs/dbraw/zinc/58/49/61/555584961.db2.gz NTMTWZHNNRBCAW-UHFFFAOYSA-N 1 2 430.556 3.823 40 0 IHABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000044903732 556678981 /nfs/dbraw/zinc/67/89/81/556678981.db2.gz FLHAHHHWTZPXFK-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCc3c[nH+]c[nH]3)CCOCC2)cc1 ZINC000257199955 556701007 /nfs/dbraw/zinc/70/10/07/556701007.db2.gz ABKSAABJZYMJCZ-UHFFFAOYSA-N 1 2 437.515 3.923 40 0 IHABLO COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCc3c[nH]c[nH+]3)CCOCC2)cc1 ZINC000257199955 556701010 /nfs/dbraw/zinc/70/10/10/556701010.db2.gz ABKSAABJZYMJCZ-UHFFFAOYSA-N 1 2 437.515 3.923 40 0 IHABLO Cc1cc(Br)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000054363124 556730480 /nfs/dbraw/zinc/73/04/80/556730480.db2.gz LWBRFNCOTXVAAI-UHFFFAOYSA-N 1 2 443.794 3.917 40 0 IHABLO O=S1(=O)N=C([C@H]2CCC[N@H+](Cc3ccnc(-c4ccccc4)n3)C2)Nc2ccccc21 ZINC000019374399 556750983 /nfs/dbraw/zinc/75/09/83/556750983.db2.gz CNPHZOZKWYPRTQ-SFHVURJKSA-N 1 2 433.537 3.569 40 0 IHABLO O=S1(=O)N=C([C@H]2CCC[N@@H+](Cc3ccnc(-c4ccccc4)n3)C2)Nc2ccccc21 ZINC000019374399 556750987 /nfs/dbraw/zinc/75/09/87/556750987.db2.gz CNPHZOZKWYPRTQ-SFHVURJKSA-N 1 2 433.537 3.569 40 0 IHABLO COC(=O)[C@@H](Nc1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2)C(C)C ZINC000019445279 556755631 /nfs/dbraw/zinc/75/56/31/556755631.db2.gz KRHBVPNDXITBQO-QFIPXVFZSA-N 1 2 449.530 3.846 40 0 IHABLO COC(=O)[C@@H](Nc1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2)C(C)C ZINC000019445279 556755635 /nfs/dbraw/zinc/75/56/35/556755635.db2.gz KRHBVPNDXITBQO-QFIPXVFZSA-N 1 2 449.530 3.846 40 0 IHABLO CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019501163 556772611 /nfs/dbraw/zinc/77/26/11/556772611.db2.gz LLPGCLUKQOZLIC-SFHVURJKSA-N 1 2 437.588 3.655 40 0 IHABLO CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019501163 556772613 /nfs/dbraw/zinc/77/26/13/556772613.db2.gz LLPGCLUKQOZLIC-SFHVURJKSA-N 1 2 437.588 3.655 40 0 IHABLO Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000001362225 556788149 /nfs/dbraw/zinc/78/81/49/556788149.db2.gz PAVBQTCMPZYPOW-XMMPIXPASA-N 1 2 442.567 3.949 40 0 IHABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)c(=O)[nH]c2c1C ZINC000006442358 556835555 /nfs/dbraw/zinc/83/55/55/556835555.db2.gz KIYZCIUUQOEADX-QHCPKHFHSA-N 1 2 446.530 3.894 40 0 IHABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3Cc3ccccc3Cl)nc(N(C)C)c2C1 ZINC000019710431 556873034 /nfs/dbraw/zinc/87/30/34/556873034.db2.gz HBVUZAYBQMMHPS-NRFANRHFSA-N 1 2 427.980 3.828 40 0 IHABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3Cc3ccccc3Cl)nc(N(C)C)c2C1 ZINC000019710431 556873036 /nfs/dbraw/zinc/87/30/36/556873036.db2.gz HBVUZAYBQMMHPS-NRFANRHFSA-N 1 2 427.980 3.828 40 0 IHABLO COc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2Cc2ccc(-c3ccncc3)cc2)cc1OC ZINC000072351834 556922450 /nfs/dbraw/zinc/92/24/50/556922450.db2.gz NSSIVJLCPAULJI-QHCPKHFHSA-N 1 2 431.536 3.651 40 0 IHABLO COc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2Cc2ccc(-c3ccncc3)cc2)cc1OC ZINC000072351834 556922453 /nfs/dbraw/zinc/92/24/53/556922453.db2.gz NSSIVJLCPAULJI-QHCPKHFHSA-N 1 2 431.536 3.651 40 0 IHABLO Cc1ccc(C2(CNc3cc(COc4ccccn4)[nH+]c(N(C)C)n3)CCOCC2)cc1 ZINC000072373181 556945804 /nfs/dbraw/zinc/94/58/04/556945804.db2.gz JGMXXPDMEIXPPD-UHFFFAOYSA-N 1 2 433.556 3.985 40 0 IHABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnc(Nc4ncccc4C)n3)C2)cc1 ZINC000072377590 556956179 /nfs/dbraw/zinc/95/61/79/556956179.db2.gz FYBPSHLNTSDECW-GOSISDBHSA-N 1 2 432.528 3.750 40 0 IHABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccnc(Nc4ncccc4C)n3)C2)cc1 ZINC000072377590 556956183 /nfs/dbraw/zinc/95/61/83/556956183.db2.gz FYBPSHLNTSDECW-GOSISDBHSA-N 1 2 432.528 3.750 40 0 IHABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 ZINC000409374885 557090497 /nfs/dbraw/zinc/09/04/97/557090497.db2.gz AXIBMUFMFQYXNJ-HKWRFOASSA-N 1 2 438.553 3.592 40 0 IHABLO Cc1ccccc1NC(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251435 557188530 /nfs/dbraw/zinc/18/85/30/557188530.db2.gz OROKDWAEJXAVDO-LVXARBLLSA-N 1 2 447.583 3.667 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1[C@H](Cc2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000585261932 557197977 /nfs/dbraw/zinc/19/79/77/557197977.db2.gz YCMUOKJVCLEMNV-SDHSZQHLSA-N 1 2 442.563 3.816 40 0 IHABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670908 557256921 /nfs/dbraw/zinc/25/69/21/557256921.db2.gz CJNCXPPEFXCMAS-OAQYLSRUSA-N 1 2 426.952 3.657 40 0 IHABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3Cc3ccc4c(c3)OCO4)C(C)C)CC2)c1 ZINC000057671400 557257227 /nfs/dbraw/zinc/25/72/27/557257227.db2.gz IZDFYKYACLKDNR-XMMPIXPASA-N 1 2 448.571 3.586 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500544 557324080 /nfs/dbraw/zinc/32/40/80/557324080.db2.gz YPVNAAHAVQEILO-JOCHJYFZSA-N 1 2 438.576 3.520 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500544 557324081 /nfs/dbraw/zinc/32/40/81/557324081.db2.gz YPVNAAHAVQEILO-JOCHJYFZSA-N 1 2 438.576 3.520 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1CC[NH+]1CCOCC1 ZINC000223162962 557440353 /nfs/dbraw/zinc/44/03/53/557440353.db2.gz URRRCUHBDFATKO-DHIUTWEWSA-N 1 2 439.629 3.693 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1CCC[NH+]1CCOCC1 ZINC000223178452 557442058 /nfs/dbraw/zinc/44/20/58/557442058.db2.gz VCGFUCVAIFGXML-DHIUTWEWSA-N 1 2 439.629 3.693 40 0 IHABLO CN(c1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1)S(=O)(=O)c1ccccc1 ZINC000224255081 557581558 /nfs/dbraw/zinc/58/15/58/557581558.db2.gz YCRMZWGQVBUYKV-UHFFFAOYSA-N 1 2 446.532 3.627 40 0 IHABLO Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000225694549 557765073 /nfs/dbraw/zinc/76/50/73/557765073.db2.gz UCQMJYMBSUSJCL-HAHDFKILSA-N 1 2 426.476 3.861 40 0 IHABLO Cc1nc2cc([C@@H]3CC[N@@H+](C4CCCCC4)C3)[nH]n2c(=O)c1CCC(=O)NC1CCCC1 ZINC000257210881 568670170 /nfs/dbraw/zinc/67/01/70/568670170.db2.gz BWNUTRJMNWAFLI-GOSISDBHSA-N 1 2 439.604 3.857 40 0 IHABLO Cc1nc2cc([C@@H]3CC[N@H+](C4CCCCC4)C3)[nH]n2c(=O)c1CCC(=O)NC1CCCC1 ZINC000257210881 568670174 /nfs/dbraw/zinc/67/01/74/568670174.db2.gz BWNUTRJMNWAFLI-GOSISDBHSA-N 1 2 439.604 3.857 40 0 IHABLO Cc1[nH]c2ccc(NC(=O)C[C@@H]3CCCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)cc2[nH+]1 ZINC000257219010 568673983 /nfs/dbraw/zinc/67/39/83/568673983.db2.gz DFGFFUZKCPSCIP-INIZCTEOSA-N 1 2 430.512 3.937 40 0 IHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CC2CCN(c3ncccn3)CC2)n1 ZINC000257236046 568681910 /nfs/dbraw/zinc/68/19/10/568681910.db2.gz HAORZNAPVQTKGU-OAQYLSRUSA-N 1 2 445.571 3.590 40 0 IHABLO CC(=O)N1CCC(Cc2ccccc2)(C(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)CC1 ZINC000257247744 568687301 /nfs/dbraw/zinc/68/73/01/568687301.db2.gz JAHDMCUUAKQVHX-QHCPKHFHSA-N 1 2 434.584 3.683 40 0 IHABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccc(Cl)c(N4CCOCC4)c3)C2)cc[nH+]1 ZINC000257252052 568689675 /nfs/dbraw/zinc/68/96/75/568689675.db2.gz JTJFOKSNUUPPGS-LJQANCHMSA-N 1 2 428.964 3.657 40 0 IHABLO CCc1nnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4cccc(OC)c4)CCO3)c2)s1 ZINC000257273673 568699144 /nfs/dbraw/zinc/69/91/44/568699144.db2.gz NHQPHGGOHWDECQ-LJQANCHMSA-N 1 2 439.541 3.770 40 0 IHABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)COc4ccccc4)CCO3)c2)n1 ZINC000257303956 568712977 /nfs/dbraw/zinc/71/29/77/568712977.db2.gz SJMCPZJZAXAXDN-JOCHJYFZSA-N 1 2 433.512 3.519 40 0 IHABLO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000101533739 568844847 /nfs/dbraw/zinc/84/48/47/568844847.db2.gz OMUZXQFRLHAOCN-PUZFROQSSA-N 1 2 431.577 3.788 40 0 IHABLO Cc1cc(C)c2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000000880306 568897726 /nfs/dbraw/zinc/89/77/26/568897726.db2.gz LRGMENBQHWKXAS-UHFFFAOYSA-N 1 2 434.540 3.511 40 0 IHABLO Fc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000022928515 569217467 /nfs/dbraw/zinc/21/74/67/569217467.db2.gz BCANXGCLMDMSQH-QHCPKHFHSA-N 1 2 435.551 3.620 40 0 IHABLO CCc1nc(-c2cncnc2[C@H]2C[N@H+](Cc3cn(CC)c4cc(F)ccc34)CCO2)no1 ZINC000019693773 569229154 /nfs/dbraw/zinc/22/91/54/569229154.db2.gz XZHYDIXJOAGHEG-HXUWFJFHSA-N 1 2 436.491 3.776 40 0 IHABLO CCc1nc(-c2cncnc2[C@H]2C[N@@H+](Cc3cn(CC)c4cc(F)ccc34)CCO2)no1 ZINC000019693773 569229156 /nfs/dbraw/zinc/22/91/56/569229156.db2.gz XZHYDIXJOAGHEG-HXUWFJFHSA-N 1 2 436.491 3.776 40 0 IHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2C=Cc1ccc(OC)cc1 ZINC000261364174 569315799 /nfs/dbraw/zinc/31/57/99/569315799.db2.gz JSZXMZZMQPXHGN-RDPWEWGOSA-O 1 2 435.529 3.836 40 0 IHABLO CCOc1ccc([C@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1OCC ZINC000095534564 569374578 /nfs/dbraw/zinc/37/45/78/569374578.db2.gz ODNQHWVWNFUKTP-KRWDZBQOSA-N 1 2 433.306 3.785 40 0 IHABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328964945 569583339 /nfs/dbraw/zinc/58/33/39/569583339.db2.gz BZBXIIZHBHRIKN-IBGZPJMESA-N 1 2 447.461 4.478 40 0 IHABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)NC3CCCCC3)CC[N@@H+]21 ZINC000253397087 291365785 /nfs/dbraw/zinc/36/57/85/291365785.db2.gz FINPPHJJNDEXGZ-FQEVSTJZSA-N 1 2 432.996 3.603 40 0 biogenic,in-vitro IHABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)NC3CCCCC3)CC[N@H+]21 ZINC000253397087 291365786 /nfs/dbraw/zinc/36/57/86/291365786.db2.gz FINPPHJJNDEXGZ-FQEVSTJZSA-N 1 2 432.996 3.603 40 0 biogenic,in-vitro IHABLO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCc3cc(OC)c(OC)cc3[C@@H]2C)cc1 ZINC000008766590 132293561 /nfs/dbraw/zinc/29/35/61/132293561.db2.gz OISPENVJAJUABY-HNNXBMFYSA-N 1 2 431.496 3.965 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012710870 526095416 /nfs/dbraw/zinc/09/54/16/526095416.db2.gz OCEZPYRAGQLBJH-UZUQRXQVSA-N 1 2 446.530 3.832 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012710870 526095429 /nfs/dbraw/zinc/09/54/29/526095429.db2.gz OCEZPYRAGQLBJH-UZUQRXQVSA-N 1 2 446.530 3.832 40 0 IHABLO O=C(NCCCn1cc[nH+]c1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000408612181 555977379 /nfs/dbraw/zinc/97/73/79/555977379.db2.gz ULQXZIAPKQWVOI-XMMPIXPASA-N 1 2 434.565 3.520 40 0 IHABLO COc1ccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(OC)c1 ZINC000408663696 556047036 /nfs/dbraw/zinc/04/70/36/556047036.db2.gz BEPUISOEZSWFBL-UHFFFAOYSA-N 1 2 448.519 3.888 40 0 IHABLO COc1ccc(CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)cc1 ZINC000032508585 556540087 /nfs/dbraw/zinc/54/00/87/556540087.db2.gz SQNYYHOQUWRLJC-MOPGFXCFSA-N 1 2 436.986 3.619 40 0 IHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 ZINC000257205399 556701588 /nfs/dbraw/zinc/70/15/88/556701588.db2.gz AYVSTCLUBRSCNT-RDGATRHJSA-N 1 2 435.499 3.913 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 ZINC000257341830 556706968 /nfs/dbraw/zinc/70/69/68/556706968.db2.gz ZMCWUOCRRIHMRE-NOZRDPDXSA-N 1 2 435.499 3.913 40 0 IHABLO O=C(CC1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349414 556744439 /nfs/dbraw/zinc/74/44/39/556744439.db2.gz VVNZOKBFULSFLM-JOCHJYFZSA-N 1 2 438.547 3.711 40 0 IHABLO O=C(CC1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349414 556744442 /nfs/dbraw/zinc/74/44/42/556744442.db2.gz VVNZOKBFULSFLM-JOCHJYFZSA-N 1 2 438.547 3.711 40 0 IHABLO O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000095483431 556757348 /nfs/dbraw/zinc/75/73/48/556757348.db2.gz FLDJJCYEBBLJOE-YRXWBPOGSA-N 1 2 428.410 3.541 40 0 IHABLO O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000095483431 556757352 /nfs/dbraw/zinc/75/73/52/556757352.db2.gz FLDJJCYEBBLJOE-YRXWBPOGSA-N 1 2 428.410 3.541 40 0 IHABLO CCOc1ccccc1NC(=O)C[N@@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019520218 556776169 /nfs/dbraw/zinc/77/61/69/556776169.db2.gz QVGUDYHLBONKTG-UQBPGWFLSA-N 1 2 439.531 3.691 40 0 IHABLO CCOc1ccccc1NC(=O)C[N@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019520218 556776173 /nfs/dbraw/zinc/77/61/73/556776173.db2.gz QVGUDYHLBONKTG-UQBPGWFLSA-N 1 2 439.531 3.691 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006409286 556834806 /nfs/dbraw/zinc/83/48/06/556834806.db2.gz CMQRRZJWTOQITM-HSZRJFAPSA-N 1 2 446.530 3.832 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006408849 556834861 /nfs/dbraw/zinc/83/48/61/556834861.db2.gz OCEZPYRAGQLBJH-SBUREZEXSA-N 1 2 446.530 3.832 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006408849 556834865 /nfs/dbraw/zinc/83/48/65/556834865.db2.gz OCEZPYRAGQLBJH-SBUREZEXSA-N 1 2 446.530 3.832 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000006443807 556836524 /nfs/dbraw/zinc/83/65/24/556836524.db2.gz HXMYIZGYVFKGPW-HJPURHCSSA-N 1 2 446.530 3.832 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000006443807 556836527 /nfs/dbraw/zinc/83/65/27/556836527.db2.gz HXMYIZGYVFKGPW-HJPURHCSSA-N 1 2 446.530 3.832 40 0 IHABLO COc1c(C)cccc1C[N@@H+]1CCO[C@@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697580 556855043 /nfs/dbraw/zinc/85/50/43/556855043.db2.gz DMVUMDSANNKXDE-LJQANCHMSA-N 1 2 440.565 3.514 40 0 IHABLO COc1c(C)cccc1C[N@H+]1CCO[C@@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697580 556855046 /nfs/dbraw/zinc/85/50/46/556855046.db2.gz DMVUMDSANNKXDE-LJQANCHMSA-N 1 2 440.565 3.514 40 0 IHABLO CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)Cc2cccc(F)c2)n1 ZINC000019700914 556860417 /nfs/dbraw/zinc/86/04/17/556860417.db2.gz JJZJNOJIIZTEAD-KRWDZBQOSA-N 1 2 437.494 3.949 40 0 IHABLO CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@@H+](C)Cc2cccc(F)c2)n1 ZINC000019700914 556860420 /nfs/dbraw/zinc/86/04/20/556860420.db2.gz JJZJNOJIIZTEAD-KRWDZBQOSA-N 1 2 437.494 3.949 40 0 IHABLO Cc1c(C[N@@H+]2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cnn1C ZINC000019740620 556881128 /nfs/dbraw/zinc/88/11/28/556881128.db2.gz HIWOMBJJZHNXNY-QFIPXVFZSA-N 1 2 430.556 3.643 40 0 IHABLO Cc1c(C[N@H+]2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cnn1C ZINC000019740620 556881132 /nfs/dbraw/zinc/88/11/32/556881132.db2.gz HIWOMBJJZHNXNY-QFIPXVFZSA-N 1 2 430.556 3.643 40 0 IHABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 ZINC000019740667 556881387 /nfs/dbraw/zinc/88/13/87/556881387.db2.gz LDCYUWHKANYOHD-QFIPXVFZSA-N 1 2 448.546 3.783 40 0 IHABLO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 ZINC000019740667 556881390 /nfs/dbraw/zinc/88/13/90/556881390.db2.gz LDCYUWHKANYOHD-QFIPXVFZSA-N 1 2 448.546 3.783 40 0 IHABLO CCCn1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)c(C)n1 ZINC000072353215 556925869 /nfs/dbraw/zinc/92/58/69/556925869.db2.gz KSIUPUKSRGVFEK-FQEVSTJZSA-N 1 2 440.573 3.969 40 0 IHABLO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Nc4ccccc4F)CC3)C2=O)cc1 ZINC000020353828 557009735 /nfs/dbraw/zinc/00/97/35/557009735.db2.gz JLEPRZJPXTYNQG-JOCHJYFZSA-N 1 2 425.504 3.823 40 0 IHABLO Cc1nc(Cn2cc(-c3cc(C(=O)N4CCC[C@@H](O)C4)c4ccccn34)[nH+]c2C)cs1 ZINC000096154965 557179047 /nfs/dbraw/zinc/17/90/47/557179047.db2.gz GECVVZUYBZVBSN-GOSISDBHSA-N 1 2 435.553 3.521 40 0 IHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@H](Cc2ccc3cc[nH]c3n2)CC1 ZINC000585261885 557197202 /nfs/dbraw/zinc/19/72/02/557197202.db2.gz KEVWIFLMOSPABD-FQEVSTJZSA-N 1 2 432.568 3.880 40 0 IHABLO Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4c[nH+]c[nH]4)cc3n2)cc1C ZINC000017095754 557226949 /nfs/dbraw/zinc/22/69/49/557226949.db2.gz CONRTKCKTDOCJN-UHFFFAOYSA-N 1 2 428.418 3.728 40 0 IHABLO Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4c[nH]c[nH+]4)cc3n2)cc1C ZINC000017095754 557226952 /nfs/dbraw/zinc/22/69/52/557226952.db2.gz CONRTKCKTDOCJN-UHFFFAOYSA-N 1 2 428.418 3.728 40 0 IHABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500538 557324030 /nfs/dbraw/zinc/32/40/30/557324030.db2.gz OIUXIYVKVCKFGJ-OAQYLSRUSA-N 1 2 440.592 3.550 40 0 IHABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500538 557324032 /nfs/dbraw/zinc/32/40/32/557324032.db2.gz OIUXIYVKVCKFGJ-OAQYLSRUSA-N 1 2 440.592 3.550 40 0 IHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501023 557324176 /nfs/dbraw/zinc/32/41/76/557324176.db2.gz BJGYYJDXDHBTQN-QFIPXVFZSA-N 1 2 438.576 3.664 40 0 IHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501023 557324180 /nfs/dbraw/zinc/32/41/80/557324180.db2.gz BJGYYJDXDHBTQN-QFIPXVFZSA-N 1 2 438.576 3.664 40 0 IHABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499675 557328596 /nfs/dbraw/zinc/32/85/96/557328596.db2.gz VVWPDQIOHCJTNA-HXUWFJFHSA-N 1 2 440.592 3.612 40 0 IHABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499675 557328598 /nfs/dbraw/zinc/32/85/98/557328598.db2.gz VVWPDQIOHCJTNA-HXUWFJFHSA-N 1 2 440.592 3.612 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1CCC[NH+]1CCOCC1 ZINC000223193448 557444105 /nfs/dbraw/zinc/44/41/05/557444105.db2.gz XMFFNYBQTFQLSM-RPWUZVMVSA-N 1 2 447.608 3.567 40 0 IHABLO COc1cccc(-c2noc(CCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)c1 ZINC000225825346 557781823 /nfs/dbraw/zinc/78/18/23/557781823.db2.gz HZHMDNAFYAGFCS-RMKNXTFCSA-N 1 2 432.524 3.535 40 0 IHABLO Cc1nnc(SCCNC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)[nH]1 ZINC000225910021 557791123 /nfs/dbraw/zinc/79/11/23/557791123.db2.gz GAUSLUSGMUTCOW-CYBMUJFWSA-N 1 2 428.389 3.540 40 0 IHABLO Cc1nnc(SCCNC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)[nH]1 ZINC000225910021 557791125 /nfs/dbraw/zinc/79/11/25/557791125.db2.gz GAUSLUSGMUTCOW-CYBMUJFWSA-N 1 2 428.389 3.540 40 0 IHABLO CC(=O)c1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015707187 560096409 /nfs/dbraw/zinc/09/64/09/560096409.db2.gz MNBCFBZKGLNWGM-FQEVSTJZSA-N 1 2 428.452 3.994 40 0 biogenic,in-vitro IHABLO CC(=O)c1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015707187 560096412 /nfs/dbraw/zinc/09/64/12/560096412.db2.gz MNBCFBZKGLNWGM-FQEVSTJZSA-N 1 2 428.452 3.994 40 0 biogenic,in-vitro IHABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@H+](Cc2cnn(C3CCCCC3)c2)CCO1 ZINC000257207231 568668667 /nfs/dbraw/zinc/66/86/67/568668667.db2.gz BGXYGLWBXPXMFZ-QHCPKHFHSA-N 1 2 446.979 3.567 40 0 IHABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2cnn(C3CCCCC3)c2)CCO1 ZINC000257207231 568668668 /nfs/dbraw/zinc/66/86/68/568668668.db2.gz BGXYGLWBXPXMFZ-QHCPKHFHSA-N 1 2 446.979 3.567 40 0 IHABLO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCO[C@@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257231630 568679571 /nfs/dbraw/zinc/67/95/71/568679571.db2.gz GHNWHMCNYISDQL-XMMPIXPASA-N 1 2 441.535 3.686 40 0 IHABLO Cc1nc2cc(C)ccn2c1C[N@H+]1CCO[C@@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257231630 568679573 /nfs/dbraw/zinc/67/95/73/568679573.db2.gz GHNWHMCNYISDQL-XMMPIXPASA-N 1 2 441.535 3.686 40 0 IHABLO Cc1cc(C)cc(C2(C(=O)N3CCOC[C@H](Cc4ccc5[nH+]ccn5c4)C3)CCOCC2)c1 ZINC000257259873 568693000 /nfs/dbraw/zinc/69/30/00/568693000.db2.gz LAKADCGUCAZTKS-HSZRJFAPSA-N 1 2 447.579 3.717 40 0 IHABLO O=C(c1ccccc1CN1CCOCC1)N1CCC[C@@H](Cc2cccn3cc[nH+]c23)CC1 ZINC000257277951 568701196 /nfs/dbraw/zinc/70/11/96/568701196.db2.gz OADFBQYJVMFBPK-OAQYLSRUSA-N 1 2 432.568 3.652 40 0 IHABLO CNc1nc([C@H]2CCN(C(=O)C3(Oc4ccccc4)CCCCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000257289176 568706220 /nfs/dbraw/zinc/70/62/20/568706220.db2.gz PXINOXYVFJPLQN-IBGZPJMESA-N 1 2 449.599 3.604 40 0 IHABLO CNc1nc([C@H]2CCN(C(=O)C3(Oc4ccccc4)CCCCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257289176 568706223 /nfs/dbraw/zinc/70/62/23/568706223.db2.gz PXINOXYVFJPLQN-IBGZPJMESA-N 1 2 449.599 3.604 40 0 IHABLO COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)C[N@H+](C)Cc3ccccn3)o2)c1 ZINC000257311482 568715969 /nfs/dbraw/zinc/71/59/69/568715969.db2.gz UJQXJGDXVHOOQE-QHCPKHFHSA-N 1 2 434.540 3.855 40 0 IHABLO COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)C[N@@H+](C)Cc3ccccn3)o2)c1 ZINC000257311482 568715971 /nfs/dbraw/zinc/71/59/71/568715971.db2.gz UJQXJGDXVHOOQE-QHCPKHFHSA-N 1 2 434.540 3.855 40 0 IHABLO Cc1c2cc(C)ccc2oc1C(=O)N1CCO[C@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257321693 568720823 /nfs/dbraw/zinc/72/08/23/568720823.db2.gz WCUCNWRIENXHTM-FQEVSTJZSA-N 1 2 429.480 3.698 40 0 IHABLO Cc1ccc(CNC(=O)c2c3c(n4ncc(-c5ccccc5)nc24)C[N@@H+](CC2CC2)CC3)o1 ZINC000306127734 568764922 /nfs/dbraw/zinc/76/49/22/568764922.db2.gz GFWHKTPVDOXVJC-UHFFFAOYSA-N 1 2 441.535 3.996 40 0 IHABLO Cc1ccc(CNC(=O)c2c3c(n4ncc(-c5ccccc5)nc24)C[N@H+](CC2CC2)CC3)o1 ZINC000306127734 568764923 /nfs/dbraw/zinc/76/49/23/568764923.db2.gz GFWHKTPVDOXVJC-UHFFFAOYSA-N 1 2 441.535 3.996 40 0 IHABLO O=C(Nc1ccccc1)c1cn2c(nc1=O)[C@@H]1C[N@H+](Cc3cc(Cl)ccc3F)C[C@H]1C2 ZINC000306136563 568769342 /nfs/dbraw/zinc/76/93/42/568769342.db2.gz PXDIWFVVRMOONU-MAUKXSAKSA-N 1 2 438.890 3.517 40 0 IHABLO O=C(Nc1ccccc1)c1cn2c(nc1=O)[C@@H]1C[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]1C2 ZINC000306136563 568769344 /nfs/dbraw/zinc/76/93/44/568769344.db2.gz PXDIWFVVRMOONU-MAUKXSAKSA-N 1 2 438.890 3.517 40 0 IHABLO Cc1nc(CN2CC[C@]3(CN(C(=O)CC(C)C)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306143912 568773653 /nfs/dbraw/zinc/77/36/53/568773653.db2.gz YQPAWPGVGKSCJE-WMZHIEFXSA-N 1 2 443.617 3.620 40 0 IHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000245229554 569205113 /nfs/dbraw/zinc/20/51/13/569205113.db2.gz ASKYGVKMRJNGRU-SRCYTUNASA-N 1 2 434.536 3.856 40 0 IHABLO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000019697380 569229935 /nfs/dbraw/zinc/22/99/35/569229935.db2.gz PSRUQEXDDMZLDG-HXUWFJFHSA-N 1 2 433.531 3.806 40 0 IHABLO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000019697380 569229936 /nfs/dbraw/zinc/22/99/36/569229936.db2.gz PSRUQEXDDMZLDG-HXUWFJFHSA-N 1 2 433.531 3.806 40 0 IHABLO NC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2cn(CCCO)c3ccccc23)CCO1 ZINC000019697594 569230055 /nfs/dbraw/zinc/23/00/55/569230055.db2.gz SEYJBRMAMOXKSR-NRFANRHFSA-N 1 2 449.576 3.911 40 0 IHABLO NC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2cn(CCCO)c3ccccc23)CCO1 ZINC000019697594 569230056 /nfs/dbraw/zinc/23/00/56/569230056.db2.gz SEYJBRMAMOXKSR-NRFANRHFSA-N 1 2 449.576 3.911 40 0 IHABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000019703188 569232898 /nfs/dbraw/zinc/23/28/98/569232898.db2.gz JWOQCZNCGIIUEP-MRXNPFEDSA-N 1 2 427.574 3.592 40 0 IHABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000019703188 569232899 /nfs/dbraw/zinc/23/28/99/569232899.db2.gz JWOQCZNCGIIUEP-MRXNPFEDSA-N 1 2 427.574 3.592 40 0 IHABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(Oc3ncccn3)cc2)ncc1C(=O)N(C)C ZINC000019764997 569238642 /nfs/dbraw/zinc/23/86/42/569238642.db2.gz IFUHAORVWIJULQ-NRFANRHFSA-N 1 2 432.528 3.796 40 0 IHABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(Oc3ncccn3)cc2)ncc1C(=O)N(C)C ZINC000019764997 569238644 /nfs/dbraw/zinc/23/86/44/569238644.db2.gz IFUHAORVWIJULQ-NRFANRHFSA-N 1 2 432.528 3.796 40 0 IHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000261364849 569315846 /nfs/dbraw/zinc/31/58/46/569315846.db2.gz ODEPWCZPYBYCAK-GOSISDBHSA-O 1 2 433.435 3.791 40 0 IHABLO COCCNC(=O)c1cc([C@H]2C[N@H+](Cc3cccc(C)c3OC)CCO2)nc2ccccc21 ZINC000019762364 569328853 /nfs/dbraw/zinc/32/88/53/569328853.db2.gz OUFZOKBXDMJNPA-XMMPIXPASA-N 1 2 449.551 3.502 40 0 IHABLO COCCNC(=O)c1cc([C@H]2C[N@@H+](Cc3cccc(C)c3OC)CCO2)nc2ccccc21 ZINC000019762364 569328854 /nfs/dbraw/zinc/32/88/54/569328854.db2.gz OUFZOKBXDMJNPA-XMMPIXPASA-N 1 2 449.551 3.502 40 0 IHABLO COCCNC(=O)COc1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC000028616790 569414796 /nfs/dbraw/zinc/41/47/96/569414796.db2.gz KUMASNMYCKUYAM-UHFFFAOYSA-N 1 2 446.598 3.547 40 0 IHABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329072563 569583325 /nfs/dbraw/zinc/58/33/25/569583325.db2.gz ZZRZCPIMNRMQRO-LJQANCHMSA-N 1 2 442.361 4.342 40 0 IHABLO CCOC(=O)[C@@H]1CCC[N@@H+](c2ccc(NCc3cc4ccc(OC)cc4[nH]c3=O)cc2)C1 ZINC000013563095 132350099 /nfs/dbraw/zinc/35/00/99/132350099.db2.gz SWYUOSIXTRTZLX-GOSISDBHSA-N 1 2 435.524 3.928 40 0 IHABLO CCOC(=O)[C@@H]1CCC[N@H+](c2ccc(NCc3cc4ccc(OC)cc4[nH]c3=O)cc2)C1 ZINC000013563095 132350101 /nfs/dbraw/zinc/35/01/01/132350101.db2.gz SWYUOSIXTRTZLX-GOSISDBHSA-N 1 2 435.524 3.928 40 0 IHABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529846 524011602 /nfs/dbraw/zinc/01/16/02/524011602.db2.gz HQMIXPUDHCNGHC-HOTGVXAUSA-N 1 2 432.406 3.717 40 0 biogenic,in-vitro IHABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529846 524011604 /nfs/dbraw/zinc/01/16/04/524011604.db2.gz HQMIXPUDHCNGHC-HOTGVXAUSA-N 1 2 432.406 3.717 40 0 biogenic,in-vitro IHABLO Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000012644410 525051722 /nfs/dbraw/zinc/05/17/22/525051722.db2.gz QBRZMAFZMNHMTN-UHFFFAOYSA-N 1 2 430.346 3.590 40 0 IHABLO CCOc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(OC)cc1 ZINC000001346605 555691475 /nfs/dbraw/zinc/69/14/75/555691475.db2.gz HQOYZCAYMQGBCS-UHFFFAOYSA-N 1 2 435.509 3.954 40 0 IHABLO Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616354 556516500 /nfs/dbraw/zinc/51/65/00/556516500.db2.gz DFTORTAMWIVEQP-UHFFFAOYSA-N 1 2 435.528 3.888 40 0 IHABLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000038773230 556619804 /nfs/dbraw/zinc/61/98/04/556619804.db2.gz KSKACMKPENECTC-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4c(C)noc4C)C[C@H]2N(C)C3=O)c1 ZINC000514289604 556623963 /nfs/dbraw/zinc/62/39/63/556623963.db2.gz MBLHQKNOXJHVJF-VWNXMTODSA-N 1 2 433.508 3.684 40 0 biogenic,in-vitro IHABLO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4c(C)noc4C)C[C@H]2N(C)C3=O)c1 ZINC000514289604 556623966 /nfs/dbraw/zinc/62/39/66/556623966.db2.gz MBLHQKNOXJHVJF-VWNXMTODSA-N 1 2 433.508 3.684 40 0 biogenic,in-vitro IHABLO COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCCc3c[nH+]c[nH]3)CCOCC2)c1 ZINC000257321432 556704179 /nfs/dbraw/zinc/70/41/79/556704179.db2.gz WBRBFZXSYIQHAP-UHFFFAOYSA-N 1 2 437.515 3.923 40 0 IHABLO COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCCc3c[nH]c[nH+]3)CCOCC2)c1 ZINC000257321432 556704181 /nfs/dbraw/zinc/70/41/81/556704181.db2.gz WBRBFZXSYIQHAP-UHFFFAOYSA-N 1 2 437.515 3.923 40 0 IHABLO CCCN1CC[N@H+](Cc2ncc[nH]2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257330557 556705671 /nfs/dbraw/zinc/70/56/71/556705671.db2.gz XOXJQRWDAWDQSS-NRFANRHFSA-N 1 2 432.568 3.998 40 0 IHABLO CCCN1CC[N@@H+](Cc2ncc[nH]2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257330557 556705672 /nfs/dbraw/zinc/70/56/72/556705672.db2.gz XOXJQRWDAWDQSS-NRFANRHFSA-N 1 2 432.568 3.998 40 0 IHABLO CCCN1CCN(Cc2[nH]cc[nH+]2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257330557 556705674 /nfs/dbraw/zinc/70/56/74/556705674.db2.gz XOXJQRWDAWDQSS-NRFANRHFSA-N 1 2 432.568 3.998 40 0 IHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 ZINC000257247682 556711349 /nfs/dbraw/zinc/71/13/49/556711349.db2.gz JAAOCSXACYQCPM-RDGATRHJSA-N 1 2 435.499 3.913 40 0 IHABLO O=C(C[NH+]1Cc2ccccc2C1)N1CCC[C@@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019376446 556752144 /nfs/dbraw/zinc/75/21/44/556752144.db2.gz ISASBZOITLHRPC-OAQYLSRUSA-N 1 2 425.492 3.964 40 0 IHABLO COc1cc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc(OC)c1OC ZINC000019549783 556794673 /nfs/dbraw/zinc/79/46/73/556794673.db2.gz HTFCQVKFCOMAEN-IBGZPJMESA-N 1 2 436.512 3.997 40 0 IHABLO COc1cc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc(OC)c1OC ZINC000019549783 556794675 /nfs/dbraw/zinc/79/46/75/556794675.db2.gz HTFCQVKFCOMAEN-IBGZPJMESA-N 1 2 436.512 3.997 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000006444093 556836728 /nfs/dbraw/zinc/83/67/28/556836728.db2.gz HXMYIZGYVFKGPW-QMHKHESXSA-N 1 2 446.530 3.832 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000006444093 556836729 /nfs/dbraw/zinc/83/67/29/556836729.db2.gz HXMYIZGYVFKGPW-QMHKHESXSA-N 1 2 446.530 3.832 40 0 IHABLO CN(C)c1cc([C@H]2CC(=O)N(C)C2)nc(C[N@H+](C)Cc2cccc(-c3cccc(F)c3)c2)n1 ZINC000019700940 556860760 /nfs/dbraw/zinc/86/07/60/556860760.db2.gz IPJOXSLICOCKCX-NRFANRHFSA-N 1 2 447.558 3.926 40 0 IHABLO CN(C)c1cc([C@H]2CC(=O)N(C)C2)nc(C[N@@H+](C)Cc2cccc(-c3cccc(F)c3)c2)n1 ZINC000019700940 556860763 /nfs/dbraw/zinc/86/07/63/556860763.db2.gz IPJOXSLICOCKCX-NRFANRHFSA-N 1 2 447.558 3.926 40 0 IHABLO CNc1nc([C@H]2CCCCN2C(=O)C(C)(C)c2cccc(F)c2)nc2c1C[N@H+](C)CC2 ZINC000019710358 556872529 /nfs/dbraw/zinc/87/25/29/556872529.db2.gz YUBBTBISCSOENH-HXUWFJFHSA-N 1 2 425.552 3.677 40 0 IHABLO CNc1nc([C@H]2CCCCN2C(=O)C(C)(C)c2cccc(F)c2)nc2c1C[N@@H+](C)CC2 ZINC000019710358 556872530 /nfs/dbraw/zinc/87/25/30/556872530.db2.gz YUBBTBISCSOENH-HXUWFJFHSA-N 1 2 425.552 3.677 40 0 IHABLO Cc1cc(NC(=O)C[NH+]2CCC([C@@]3(C)CCCCN(Cc4ccccc4)C3=O)CC2)no1 ZINC000019743995 556889341 /nfs/dbraw/zinc/88/93/41/556889341.db2.gz YQVUXKWQOLREBV-RUZDIDTESA-N 1 2 438.572 3.853 40 0 IHABLO CCc1c(C)sc2ncn([C@H]3CCC[N@H+](CC(=O)N4[C@H](C)CCC[C@@H]4C)C3)c(=O)c12 ZINC000072347733 556918998 /nfs/dbraw/zinc/91/89/98/556918998.db2.gz KVIFAHCOEATTHL-JZXOWHBKSA-N 1 2 430.618 3.755 40 0 IHABLO CCc1c(C)sc2ncn([C@H]3CCC[N@@H+](CC(=O)N4[C@H](C)CCC[C@@H]4C)C3)c(=O)c12 ZINC000072347733 556919000 /nfs/dbraw/zinc/91/90/00/556919000.db2.gz KVIFAHCOEATTHL-JZXOWHBKSA-N 1 2 430.618 3.755 40 0 IHABLO Cc1nc([C@H]2CCC[N@H+]2CC(=O)N2CCC(C)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000072372889 556944541 /nfs/dbraw/zinc/94/45/41/556944541.db2.gz BQAHRZFVMPQERB-HSZRJFAPSA-N 1 2 448.615 3.528 40 0 IHABLO Cc1nc([C@H]2CCC[N@@H+]2CC(=O)N2CCC(C)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000072372889 556944544 /nfs/dbraw/zinc/94/45/44/556944544.db2.gz BQAHRZFVMPQERB-HSZRJFAPSA-N 1 2 448.615 3.528 40 0 IHABLO CN(C)c1nc(NCC2(c3cccc(F)c3)CCOCC2)cc(COc2ccccn2)[nH+]1 ZINC000072373188 556945751 /nfs/dbraw/zinc/94/57/51/556945751.db2.gz ZEHXNTCMOXSUJU-UHFFFAOYSA-N 1 2 437.519 3.816 40 0 IHABLO Cc1cccc(C2(CNc3cc(COc4ccccn4)[nH+]c(N(C)C)n3)CCOCC2)c1 ZINC000072373184 556945866 /nfs/dbraw/zinc/94/58/66/556945866.db2.gz JAVAJDAIUUFDEU-UHFFFAOYSA-N 1 2 433.556 3.985 40 0 IHABLO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ccc4c(n[nH]c4NC(C)C)n3)C1)OCCO2 ZINC000072374479 556948254 /nfs/dbraw/zinc/94/82/54/556948254.db2.gz RJDHJOVIWJUYAP-MRXNPFEDSA-N 1 2 437.544 3.938 40 0 IHABLO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ccc4c(n[nH]c4NC(C)C)n3)C1)OCCO2 ZINC000072374479 556948257 /nfs/dbraw/zinc/94/82/57/556948257.db2.gz RJDHJOVIWJUYAP-MRXNPFEDSA-N 1 2 437.544 3.938 40 0 IHABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3cccs3)C[C@]23CCCN(CC2CC2)C3=O)c1 ZINC000585107449 557038574 /nfs/dbraw/zinc/03/85/74/557038574.db2.gz WDNNSCQNRPCLLH-FDDCHVKYSA-N 1 2 426.586 3.784 40 0 IHABLO CC(=O)Nc1ccc(-c2c[nH+]c3n2CCN(C(=O)CCOc2ccc(F)cc2)CC3)cc1 ZINC000585111533 557044641 /nfs/dbraw/zinc/04/46/41/557044641.db2.gz UPSIKQURQWBNFR-UHFFFAOYSA-N 1 2 436.487 3.501 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)cc2c1 ZINC000006198073 557149782 /nfs/dbraw/zinc/14/97/82/557149782.db2.gz KRLADMIXNDNSGJ-QHCPKHFHSA-N 1 2 446.530 3.840 40 0 IHABLO COc1cccc(S(=O)(=O)N2CCC3(CCn4c(-c5cccc(F)c5)c[nH+]c43)CC2)c1 ZINC000096080116 557168532 /nfs/dbraw/zinc/16/85/32/557168532.db2.gz LBMLODPUNUQVSG-UHFFFAOYSA-N 1 2 441.528 3.824 40 0 IHABLO COc1ccc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3OC)C2)cc1NCc1ccncc1 ZINC000585262093 557200630 /nfs/dbraw/zinc/20/06/30/557200630.db2.gz VWKAGPHUXCYEMU-HSZRJFAPSA-N 1 2 446.551 3.840 40 0 IHABLO COc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3OC)C2)cc1NCc1ccncc1 ZINC000585262093 557200635 /nfs/dbraw/zinc/20/06/35/557200635.db2.gz VWKAGPHUXCYEMU-HSZRJFAPSA-N 1 2 446.551 3.840 40 0 IHABLO CC(C)C(=O)N1CCc2nc3cc(C4CC[NH+](C[C@@H]5CC=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000100232698 557249928 /nfs/dbraw/zinc/24/99/28/557249928.db2.gz QBBQDCXXEWIFTG-GOSISDBHSA-N 1 2 437.588 3.511 40 0 IHABLO CCC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057671355 557257265 /nfs/dbraw/zinc/25/72/65/557257265.db2.gz FBUYMLBHQUYIHJ-QFIPXVFZSA-N 1 2 448.571 3.730 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1CCC[NH+]1CCOCC1 ZINC000223178564 557442245 /nfs/dbraw/zinc/44/22/45/557442245.db2.gz VCGFUCVAIFGXML-PKTZIBPZSA-N 1 2 439.629 3.693 40 0 IHABLO O=C1C2[C@H](c3cccnc3)N[C@H](c3cccnc3)C1[C@@H](c1cccnc1)[NH2+][C@@H]2c1cccnc1 ZINC000004042633 557530717 /nfs/dbraw/zinc/53/07/17/557530717.db2.gz LDJCBJLZNMUUBF-BYFSLCQZSA-N 1 2 448.530 3.540 40 0 IHABLO O=C1C2[C@H](c3cccnc3)N[C@@H](c3cccnc3)C1[C@@H](c1cccnc1)[NH2+][C@H]2c1cccnc1 ZINC000004042601 557530835 /nfs/dbraw/zinc/53/08/35/557530835.db2.gz LDJCBJLZNMUUBF-XSJHAFMQSA-N 1 2 448.530 3.540 40 0 IHABLO O=C(Nc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000059401500 557822589 /nfs/dbraw/zinc/82/25/89/557822589.db2.gz PUUCJOIHHFGAAG-UHFFFAOYSA-N 1 2 429.520 3.985 40 0 IHABLO CN(C)c1cc([C@H]2CCCN2C(=O)C2(C)CCN(C(=O)Cc3ccccc3)CC2)cc[nH+]1 ZINC000257207215 568668440 /nfs/dbraw/zinc/66/84/40/568668440.db2.gz BGVDFIIBUYODRA-JOCHJYFZSA-N 1 2 434.584 3.683 40 0 IHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CC2CCN(c3ncccn3)CC2)n1 ZINC000257236045 568681885 /nfs/dbraw/zinc/68/18/85/568681885.db2.gz HAORZNAPVQTKGU-NRFANRHFSA-N 1 2 445.571 3.590 40 0 IHABLO Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(C[NH+](CC(=O)Nc4ccnn4C(C)C)C3)CO[C@H]21 ZINC000257263734 568694925 /nfs/dbraw/zinc/69/49/25/568694925.db2.gz LRESQGIURPWBPC-WMZHIEFXSA-N 1 2 438.572 3.962 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@@H+]3Cc3cccc(C)n3)nn2c1C ZINC000257284379 568704040 /nfs/dbraw/zinc/70/40/40/568704040.db2.gz PCLGAIQQOBDGOK-QHCPKHFHSA-N 1 2 434.588 3.845 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@H+]3Cc3cccc(C)n3)nn2c1C ZINC000257284379 568704043 /nfs/dbraw/zinc/70/40/43/568704043.db2.gz PCLGAIQQOBDGOK-QHCPKHFHSA-N 1 2 434.588 3.845 40 0 IHABLO Cc1nc2cc([C@H]3CCC[N@@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257288315 568705852 /nfs/dbraw/zinc/70/58/52/568705852.db2.gz PTSPJLSFIVIUNR-HSZRJFAPSA-N 1 2 432.572 3.537 40 0 IHABLO Cc1nc2cc([C@H]3CCC[N@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257288315 568705856 /nfs/dbraw/zinc/70/58/56/568705856.db2.gz PTSPJLSFIVIUNR-HSZRJFAPSA-N 1 2 432.572 3.537 40 0 IHABLO CCOc1ccc(COC)cc1C[N@@H+]1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000257315912 568717985 /nfs/dbraw/zinc/71/79/85/568717985.db2.gz VDFZSPLQLYHMHT-JOCHJYFZSA-N 1 2 435.528 3.734 40 0 IHABLO CCOc1ccc(COC)cc1C[N@H+]1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000257315912 568717988 /nfs/dbraw/zinc/71/79/88/568717988.db2.gz VDFZSPLQLYHMHT-JOCHJYFZSA-N 1 2 435.528 3.734 40 0 IHABLO Cc1ccc[nH+]c1Nc1ccc([C@@H]2CN(CC(=O)Nc3cccc(F)c3C)CCO2)nc1 ZINC000257319420 568719650 /nfs/dbraw/zinc/71/96/50/568719650.db2.gz VSLGYTZMGKUXJQ-QFIPXVFZSA-N 1 2 435.503 3.988 40 0 IHABLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)n2)cc1 ZINC000257324891 568722306 /nfs/dbraw/zinc/72/23/06/568722306.db2.gz WQQDHAVRKPAVAQ-URXFXBBRSA-N 1 2 437.565 3.961 40 0 IHABLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)n2)cc1 ZINC000257324891 568722310 /nfs/dbraw/zinc/72/23/10/568722310.db2.gz WQQDHAVRKPAVAQ-URXFXBBRSA-N 1 2 437.565 3.961 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC[C@H]3C)cc2c1 ZINC000000893022 568858860 /nfs/dbraw/zinc/85/88/60/568858860.db2.gz CPEBGTAZKBMUOX-UZUQRXQVSA-N 1 2 444.539 3.535 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC[C@H]3C)cc2c1 ZINC000000893022 568858862 /nfs/dbraw/zinc/85/88/62/568858862.db2.gz CPEBGTAZKBMUOX-UZUQRXQVSA-N 1 2 444.539 3.535 40 0 IHABLO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cc1 ZINC000024307286 568860571 /nfs/dbraw/zinc/86/05/71/568860571.db2.gz GCJOIXUQZYZJMC-UHFFFAOYSA-N 1 2 435.524 3.837 40 0 IHABLO Cc1c2ccccc2oc1C[N@@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692968 569228474 /nfs/dbraw/zinc/22/84/74/569228474.db2.gz VDZGHWPVZXILOG-QFIPXVFZSA-N 1 2 430.512 3.628 40 0 IHABLO Cc1c2ccccc2oc1C[N@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692968 569228475 /nfs/dbraw/zinc/22/84/75/569228475.db2.gz VDZGHWPVZXILOG-QFIPXVFZSA-N 1 2 430.512 3.628 40 0 IHABLO NC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2cn(CCCO)c3ccccc23)CCO1 ZINC000019697595 569230025 /nfs/dbraw/zinc/23/00/25/569230025.db2.gz SEYJBRMAMOXKSR-OAQYLSRUSA-N 1 2 449.576 3.911 40 0 IHABLO NC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2cn(CCCO)c3ccccc23)CCO1 ZINC000019697595 569230026 /nfs/dbraw/zinc/23/00/26/569230026.db2.gz SEYJBRMAMOXKSR-OAQYLSRUSA-N 1 2 449.576 3.911 40 0 IHABLO COc1ccc(OC)c(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000138646529 569254031 /nfs/dbraw/zinc/25/40/31/569254031.db2.gz RWXMAQXSEBZHEA-UHFFFAOYSA-N 1 2 448.519 3.888 40 0 IHABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3c4ccccc4sc3C(=O)NCCO)C2)c2ccccc21 ZINC000019697592 569326922 /nfs/dbraw/zinc/32/69/22/569326922.db2.gz UKMFTZLYZKXVFQ-OAQYLSRUSA-N 1 2 449.576 3.689 40 0 IHABLO Cn1cc(C[N@H+]2CCO[C@@H](c3c4ccccc4sc3C(=O)NCCO)C2)c2ccccc21 ZINC000019697592 569326924 /nfs/dbraw/zinc/32/69/24/569326924.db2.gz UKMFTZLYZKXVFQ-OAQYLSRUSA-N 1 2 449.576 3.689 40 0 IHABLO CNC(=O)c1cc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)nc2ccccc21 ZINC000019762373 569328939 /nfs/dbraw/zinc/32/89/39/569328939.db2.gz BKCNGFRPVPRMDZ-HSZRJFAPSA-N 1 2 427.508 3.558 40 0 IHABLO CNC(=O)c1cc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)nc2ccccc21 ZINC000019762373 569328940 /nfs/dbraw/zinc/32/89/40/569328940.db2.gz BKCNGFRPVPRMDZ-HSZRJFAPSA-N 1 2 427.508 3.558 40 0 IHABLO CCOC(=O)[C@@H]1CCC[N@@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)C1 ZINC000013563104 132350075 /nfs/dbraw/zinc/35/00/75/132350075.db2.gz OVROFUVAOWESRV-MRXNPFEDSA-N 1 2 449.507 3.648 40 0 IHABLO CCOC(=O)[C@@H]1CCC[N@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)C1 ZINC000013563104 132350076 /nfs/dbraw/zinc/35/00/76/132350076.db2.gz OVROFUVAOWESRV-MRXNPFEDSA-N 1 2 449.507 3.648 40 0 IHABLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000015350591 521298362 /nfs/dbraw/zinc/29/83/62/521298362.db2.gz CGTWHBSGAFJQGR-NSHDSACASA-N 1 2 426.357 3.938 40 0 IHABLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000015350591 521298367 /nfs/dbraw/zinc/29/83/67/521298367.db2.gz CGTWHBSGAFJQGR-NSHDSACASA-N 1 2 426.357 3.938 40 0 IHABLO CN(C)c1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)Cc2cccc(F)c2)n1 ZINC000072352060 522121356 /nfs/dbraw/zinc/12/13/56/522121356.db2.gz HVRMLFJQYNCLMH-OAQYLSRUSA-N 1 2 447.558 3.830 40 0 IHABLO CN(C)c1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)Cc2cccc(F)c2)n1 ZINC000072352060 522121362 /nfs/dbraw/zinc/12/13/62/522121362.db2.gz HVRMLFJQYNCLMH-OAQYLSRUSA-N 1 2 447.558 3.830 40 0 IHABLO COc1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)cc(OC)c1OC ZINC000035426284 522378391 /nfs/dbraw/zinc/37/83/91/522378391.db2.gz MQVRISLBCDQQJQ-KRWDZBQOSA-N 1 2 439.516 3.561 40 0 biogenic,in-vitro IHABLO COc1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)cc(OC)c1OC ZINC000035426284 522378402 /nfs/dbraw/zinc/37/84/02/522378402.db2.gz MQVRISLBCDQQJQ-KRWDZBQOSA-N 1 2 439.516 3.561 40 0 biogenic,in-vitro IHABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000012711519 524973105 /nfs/dbraw/zinc/97/31/05/524973105.db2.gz HXMYIZGYVFKGPW-WAIKUNEKSA-N 1 2 446.530 3.832 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000012711519 524973119 /nfs/dbraw/zinc/97/31/19/524973119.db2.gz HXMYIZGYVFKGPW-WAIKUNEKSA-N 1 2 446.530 3.832 40 0 IHABLO COc1ccc([C@H]2NC3=[NH+]CN(C4CCCCC4)CN3c3nc4ccccc4n32)cc1OC ZINC000020638593 525427285 /nfs/dbraw/zinc/42/72/85/525427285.db2.gz DHOYXNUQKCLSHS-QHCPKHFHSA-N 1 2 446.555 3.929 40 0 IHABLO CCOc1cc(C(=S)NCC[NH+]2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000408571255 555915091 /nfs/dbraw/zinc/91/50/91/555915091.db2.gz ASSGOTSIHKHNJL-UHFFFAOYSA-N 1 2 434.989 3.915 40 0 IHABLO CCn1nc(C)c2c1nc(C)cc2C(=O)N1CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC000036612073 556506103 /nfs/dbraw/zinc/50/61/03/556506103.db2.gz ILAQCNNYEYPUPS-UHFFFAOYSA-N 1 2 428.540 3.887 40 0 IHABLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616825 556516423 /nfs/dbraw/zinc/51/64/23/556516423.db2.gz BMWXZUHGZYEKFT-UHFFFAOYSA-N 1 2 447.489 3.965 40 0 IHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@@H](Cc2cccc3n[nH]cc32)CC1 ZINC000257201898 556701304 /nfs/dbraw/zinc/70/13/04/556701304.db2.gz AJOBKVYINUIUFZ-HXUWFJFHSA-N 1 2 432.568 3.880 40 0 IHABLO CCCN1CC[N@H+](Cc2ncc[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257330558 556705601 /nfs/dbraw/zinc/70/56/01/556705601.db2.gz XOXJQRWDAWDQSS-OAQYLSRUSA-N 1 2 432.568 3.998 40 0 IHABLO CCCN1CC[N@@H+](Cc2ncc[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257330558 556705604 /nfs/dbraw/zinc/70/56/04/556705604.db2.gz XOXJQRWDAWDQSS-OAQYLSRUSA-N 1 2 432.568 3.998 40 0 IHABLO CCCN1CCN(Cc2[nH]cc[nH+]2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257330558 556705606 /nfs/dbraw/zinc/70/56/06/556705606.db2.gz XOXJQRWDAWDQSS-OAQYLSRUSA-N 1 2 432.568 3.998 40 0 IHABLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000095483432 556757270 /nfs/dbraw/zinc/75/72/70/556757270.db2.gz FLDJJCYEBBLJOE-AKHDSKFASA-N 1 2 428.410 3.541 40 0 IHABLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000095483432 556757271 /nfs/dbraw/zinc/75/72/71/556757271.db2.gz FLDJJCYEBBLJOE-AKHDSKFASA-N 1 2 428.410 3.541 40 0 IHABLO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019462898 556767895 /nfs/dbraw/zinc/76/78/95/556767895.db2.gz HKGCNPDTZSDSCW-HBFSDRIKSA-N 1 2 449.599 3.511 40 0 IHABLO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019462898 556767896 /nfs/dbraw/zinc/76/78/96/556767896.db2.gz HKGCNPDTZSDSCW-HBFSDRIKSA-N 1 2 449.599 3.511 40 0 IHABLO CCc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000019523280 556780494 /nfs/dbraw/zinc/78/04/94/556780494.db2.gz YYXFLYSOCNXBOL-SFHVURJKSA-N 1 2 430.512 3.840 40 0 IHABLO COc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3nccs3)CC2)c(OC)c1 ZINC000019552427 556796230 /nfs/dbraw/zinc/79/62/30/556796230.db2.gz XWLVDNYOFQVPBX-JOCHJYFZSA-N 1 2 443.544 3.703 40 0 IHABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006410085 556835045 /nfs/dbraw/zinc/83/50/45/556835045.db2.gz BBHSVBQULDBONY-HSZRJFAPSA-N 1 2 446.530 3.832 40 0 IHABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006410125 556835087 /nfs/dbraw/zinc/83/50/87/556835087.db2.gz MBKRWMDBOTTZSD-FDDCHVKYSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006410125 556835091 /nfs/dbraw/zinc/83/50/91/556835091.db2.gz MBKRWMDBOTTZSD-FDDCHVKYSA-N 1 2 428.540 3.693 40 0 IHABLO Nc1ccc(-c2ccc([C@H]3CCCN(C(=O)Cc4ccc5c(c4)CCCO5)C3)nc2)c[nH+]1 ZINC000019689313 556844007 /nfs/dbraw/zinc/84/40/07/556844007.db2.gz HPEMDMCEHAAWBE-QFIPXVFZSA-N 1 2 428.536 4.000 40 0 IHABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000008674173 556844093 /nfs/dbraw/zinc/84/40/93/556844093.db2.gz BPTGALQBEHFOTB-UGKGYDQZSA-N 1 2 436.560 3.544 40 0 IHABLO Cc1cc(-c2ccc(N)[nH+]c2)cc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000019692167 556848512 /nfs/dbraw/zinc/84/85/12/556848512.db2.gz JDCALYZGEVILHG-UHFFFAOYSA-N 1 2 426.517 3.742 40 0 IHABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@@H+]2CC(=O)NCc2ccccn2)n1 ZINC000019694329 556850157 /nfs/dbraw/zinc/85/01/57/556850157.db2.gz QPXRKWREDVUTGY-QFIPXVFZSA-N 1 2 448.546 3.587 40 0 IHABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@H+]2CC(=O)NCc2ccccn2)n1 ZINC000019694329 556850159 /nfs/dbraw/zinc/85/01/59/556850159.db2.gz QPXRKWREDVUTGY-QFIPXVFZSA-N 1 2 448.546 3.587 40 0 IHABLO Cc1[nH+]c2ccccn2c1CN(C)Cc1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 ZINC000019698585 556857105 /nfs/dbraw/zinc/85/71/05/556857105.db2.gz MDXCREXHTJOMSX-UHFFFAOYSA-N 1 2 440.551 3.853 40 0 IHABLO COc1ccc(CN2CCCc3c(C)nc([C@@H]4CCC[N@H+](Cc5ncc[nH]5)C4)nc32)cc1 ZINC000019706585 556864934 /nfs/dbraw/zinc/86/49/34/556864934.db2.gz XTHQOGQMXKPLND-HXUWFJFHSA-N 1 2 432.572 3.849 40 0 IHABLO COc1ccc(CN2CCCc3c(C)nc([C@@H]4CCC[N@@H+](Cc5ncc[nH]5)C4)nc32)cc1 ZINC000019706585 556864937 /nfs/dbraw/zinc/86/49/37/556864937.db2.gz XTHQOGQMXKPLND-HXUWFJFHSA-N 1 2 432.572 3.849 40 0 IHABLO O=C(C[NH+]1CCC([C@@H]2CCCCN(CCc3ccccc3)C2=O)CC1)Nc1nccs1 ZINC000019744026 556889453 /nfs/dbraw/zinc/88/94/53/556889453.db2.gz GXKYTWIHDWAZGL-NRFANRHFSA-N 1 2 440.613 3.665 40 0 IHABLO CCN(CC)C(=O)C[NH+]1CCC(c2ccc3c(n[nH]c3NCc3ccccc3F)n2)CC1 ZINC000019744908 556891589 /nfs/dbraw/zinc/89/15/89/556891589.db2.gz LPKBORZFJAKHCZ-UHFFFAOYSA-N 1 2 438.551 3.757 40 0 IHABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)CCCc2ccc(F)cc2)nc2c1C[N@H+](C)CC2 ZINC000019752432 556896145 /nfs/dbraw/zinc/89/61/45/556896145.db2.gz LPRPBEGAYGFDEI-QFIPXVFZSA-N 1 2 439.579 3.746 40 0 IHABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)CCCc2ccc(F)cc2)nc2c1C[N@@H+](C)CC2 ZINC000019752432 556896147 /nfs/dbraw/zinc/89/61/47/556896147.db2.gz LPRPBEGAYGFDEI-QFIPXVFZSA-N 1 2 439.579 3.746 40 0 IHABLO CC(C)NC(=O)c1cc([C@@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)nc2ccccc21 ZINC000019762232 556906532 /nfs/dbraw/zinc/90/65/32/556906532.db2.gz INPOLMXCYGQPQP-QFIPXVFZSA-N 1 2 435.572 3.967 40 0 IHABLO CC(C)NC(=O)c1cc([C@@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)nc2ccccc21 ZINC000019762232 556906536 /nfs/dbraw/zinc/90/65/36/556906536.db2.gz INPOLMXCYGQPQP-QFIPXVFZSA-N 1 2 435.572 3.967 40 0 IHABLO CSc1ncc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cn1 ZINC000072341931 556914303 /nfs/dbraw/zinc/91/43/03/556914303.db2.gz HYOYPYGPYYAGLE-AEFFLSMTSA-N 1 2 436.503 3.954 40 0 IHABLO CSc1ncc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cn1 ZINC000072341931 556914305 /nfs/dbraw/zinc/91/43/05/556914305.db2.gz HYOYPYGPYYAGLE-AEFFLSMTSA-N 1 2 436.503 3.954 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2cn(C(C)=O)c3ccccc23)CCO1 ZINC000072383120 556958732 /nfs/dbraw/zinc/95/87/32/556958732.db2.gz JCVVSKPFMCGHER-FQEVSTJZSA-N 1 2 448.548 3.844 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2cn(C(C)=O)c3ccccc23)CCO1 ZINC000072383120 556958735 /nfs/dbraw/zinc/95/87/35/556958735.db2.gz JCVVSKPFMCGHER-FQEVSTJZSA-N 1 2 448.548 3.844 40 0 IHABLO CC(=O)NCC(=O)N1CCC[C@@H](c2[nH+]c(Nc3ccccc3F)n3c(C)c(C)sc23)C1 ZINC000072390989 556961400 /nfs/dbraw/zinc/96/14/00/556961400.db2.gz JBWVRDSFCAROPN-MRXNPFEDSA-N 1 2 443.548 3.737 40 0 IHABLO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)Cc2cccc(C)c2)n1 ZINC000072391870 556962551 /nfs/dbraw/zinc/96/25/51/556962551.db2.gz ZVHDWIVPFVYVPX-JOCHJYFZSA-N 1 2 429.568 3.975 40 0 IHABLO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)Cc2cccc(C)c2)n1 ZINC000072391870 556962553 /nfs/dbraw/zinc/96/25/53/556962553.db2.gz ZVHDWIVPFVYVPX-JOCHJYFZSA-N 1 2 429.568 3.975 40 0 IHABLO Cc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[nH]3)C[N@H+](C(C)C)CC5)CC2)cs1 ZINC000072398763 556970676 /nfs/dbraw/zinc/97/06/76/556970676.db2.gz VJAWXXLNKCPXGM-UHFFFAOYSA-N 1 2 439.585 3.591 40 0 IHABLO Cc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[nH]3)C[N@@H+](C(C)C)CC5)CC2)cs1 ZINC000072398763 556970679 /nfs/dbraw/zinc/97/06/79/556970679.db2.gz VJAWXXLNKCPXGM-UHFFFAOYSA-N 1 2 439.585 3.591 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000000907690 557117739 /nfs/dbraw/zinc/11/77/39/557117739.db2.gz OCEZPYRAGQLBJH-HXOBKFHXSA-N 1 2 446.530 3.832 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000000907690 557117743 /nfs/dbraw/zinc/11/77/43/557117743.db2.gz OCEZPYRAGQLBJH-HXOBKFHXSA-N 1 2 446.530 3.832 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006149496 557146359 /nfs/dbraw/zinc/14/63/59/557146359.db2.gz URTITZWENUOLET-KKSFZXQISA-N 1 2 438.576 3.880 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006149496 557146363 /nfs/dbraw/zinc/14/63/63/557146363.db2.gz URTITZWENUOLET-KKSFZXQISA-N 1 2 438.576 3.880 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006198099 557149738 /nfs/dbraw/zinc/14/97/38/557149738.db2.gz PHPDLRVLUJHSHL-DEOSSOPVSA-N 1 2 442.567 3.947 40 0 IHABLO CC(C)C(=O)N1CCc2c(nc3cc(C4CC[NH+](C[C@@H]5CC=CCC5)CC4)[nH]n3c2=O)C1 ZINC000100232742 557249955 /nfs/dbraw/zinc/24/99/55/557249955.db2.gz MTOOEBKKYSETPS-GOSISDBHSA-N 1 2 437.588 3.511 40 0 IHABLO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2Cl)CC1 ZINC000220008528 557276810 /nfs/dbraw/zinc/27/68/10/557276810.db2.gz XROANDLPVDVTJI-UHFFFAOYSA-N 1 2 443.956 3.682 40 0 IHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501008 557324206 /nfs/dbraw/zinc/32/42/06/557324206.db2.gz ATQMEYNULXIYPX-OAQYLSRUSA-N 1 2 438.576 3.664 40 0 IHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501008 557324212 /nfs/dbraw/zinc/32/42/12/557324212.db2.gz ATQMEYNULXIYPX-OAQYLSRUSA-N 1 2 438.576 3.664 40 0 IHABLO CCOC(=O)c1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000225778633 557776875 /nfs/dbraw/zinc/77/68/75/557776875.db2.gz IDRCZYTWGHKSHX-UHFFFAOYSA-N 1 2 447.988 3.836 40 0 IHABLO COc1ccc(CN2Cc3[nH+]c[nH]c3C[C@H]2C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000015676340 560094666 /nfs/dbraw/zinc/09/46/66/560094666.db2.gz DBTBOFQOWCTMPA-SANMLTNESA-N 1 2 444.579 3.827 40 0 biogenic,in-vitro IHABLO Cc1cccc([C@]2(C(=O)N(C)C)CCC[N@@H+]2Cc2ccccc2OCc2cccnc2)n1 ZINC000257210572 568670084 /nfs/dbraw/zinc/67/00/84/568670084.db2.gz BVETXTGSOCSYMV-SANMLTNESA-N 1 2 430.552 3.944 40 0 IHABLO Cc1cccc([C@]2(C(=O)N(C)C)CCC[N@H+]2Cc2ccccc2OCc2cccnc2)n1 ZINC000257210572 568670088 /nfs/dbraw/zinc/67/00/88/568670088.db2.gz BVETXTGSOCSYMV-SANMLTNESA-N 1 2 430.552 3.944 40 0 IHABLO COc1ccc(C(=O)N2CCC(C)(c3cc(N)nc(C)[nH+]3)CC2)cc1NCc1cccnc1 ZINC000257248941 568687904 /nfs/dbraw/zinc/68/79/04/568687904.db2.gz JFWXCXSMEAOVNS-UHFFFAOYSA-N 1 2 446.555 3.577 40 0 IHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1Oc1cccc(F)c1 ZINC000257267805 568696780 /nfs/dbraw/zinc/69/67/80/568696780.db2.gz MIUHTTAFYIZTEW-ICSRJNTNSA-N 1 2 426.410 3.687 40 0 IHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1Oc1cccc(F)c1 ZINC000257267805 568696782 /nfs/dbraw/zinc/69/67/82/568696782.db2.gz MIUHTTAFYIZTEW-ICSRJNTNSA-N 1 2 426.410 3.687 40 0 IHABLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)c1C ZINC000257273026 568698789 /nfs/dbraw/zinc/69/87/89/568698789.db2.gz NEXQGYSQZRVOEO-XMMPIXPASA-N 1 2 441.551 3.587 40 0 IHABLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)c1C ZINC000257273026 568698792 /nfs/dbraw/zinc/69/87/92/568698792.db2.gz NEXQGYSQZRVOEO-XMMPIXPASA-N 1 2 441.551 3.587 40 0 IHABLO COCCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 ZINC000257274937 568699893 /nfs/dbraw/zinc/69/98/93/568699893.db2.gz NNGUCSFJIGOMBZ-XMMPIXPASA-N 1 2 449.555 3.831 40 0 IHABLO COCCOc1cccc(C[N@H+]2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 ZINC000257274937 568699896 /nfs/dbraw/zinc/69/98/96/568699896.db2.gz NNGUCSFJIGOMBZ-XMMPIXPASA-N 1 2 449.555 3.831 40 0 IHABLO CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC[C@H](Cc2cccn3cc[nH+]c23)CC1 ZINC000257276846 568700882 /nfs/dbraw/zinc/70/08/82/568700882.db2.gz NVJILVNFRKPMID-NRFANRHFSA-N 1 2 432.568 3.643 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@@H+]3Cc3ncccc3C)nn2c1C ZINC000257300410 568711388 /nfs/dbraw/zinc/71/13/88/568711388.db2.gz RUDVPJVIWXULPB-HSZRJFAPSA-N 1 2 434.588 3.845 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@H+]3Cc3ncccc3C)nn2c1C ZINC000257300410 568711391 /nfs/dbraw/zinc/71/13/91/568711391.db2.gz RUDVPJVIWXULPB-HSZRJFAPSA-N 1 2 434.588 3.845 40 0 IHABLO CN(C(=O)C1(C)CCN(C(=O)c2ccccc2F)CC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257307147 568714440 /nfs/dbraw/zinc/71/44/40/568714440.db2.gz SXJYMKBSVNPYQD-IBGZPJMESA-N 1 2 438.547 3.590 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257312772 568716886 /nfs/dbraw/zinc/71/68/86/568716886.db2.gz UPLJCYQSPWTLDY-XMMPIXPASA-N 1 2 426.524 3.726 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257312772 568716887 /nfs/dbraw/zinc/71/68/87/568716887.db2.gz UPLJCYQSPWTLDY-XMMPIXPASA-N 1 2 426.524 3.726 40 0 IHABLO Cc1cccnc1C[N@@H+]1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)NCC3CC3)c(C)n2n1 ZINC000257330504 568724764 /nfs/dbraw/zinc/72/47/64/568724764.db2.gz XORQSIPIRPJDJT-XMMPIXPASA-N 1 2 446.599 3.845 40 0 IHABLO Cc1cccnc1C[N@H+]1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)NCC3CC3)c(C)n2n1 ZINC000257330504 568724765 /nfs/dbraw/zinc/72/47/65/568724765.db2.gz XORQSIPIRPJDJT-XMMPIXPASA-N 1 2 446.599 3.845 40 0 IHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(Br)cc1 ZINC000261362053 568733162 /nfs/dbraw/zinc/73/31/62/568733162.db2.gz BXKBYCAIWWNRRA-SFHVURJKSA-O 1 2 444.334 3.535 40 0 IHABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3cccs3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306127644 568764695 /nfs/dbraw/zinc/76/46/95/568764695.db2.gz GEASPEKFKMEITK-DVECYGJZSA-N 1 2 449.580 3.579 40 0 IHABLO O=C(NC1CCCC1)C1=NO[C@]2(C1)C[N@H+](Cc1ccccc1)CC[C@@H]2NCc1ccccc1 ZINC000306136382 568769459 /nfs/dbraw/zinc/76/94/59/568769459.db2.gz PSBPBXABMBDRSF-AHKZPQOWSA-N 1 2 446.595 3.625 40 0 IHABLO O=C(NC1CCCC1)C1=NO[C@]2(C1)C[N@@H+](Cc1ccccc1)CC[C@@H]2NCc1ccccc1 ZINC000306136382 568769460 /nfs/dbraw/zinc/76/94/60/568769460.db2.gz PSBPBXABMBDRSF-AHKZPQOWSA-N 1 2 446.595 3.625 40 0 IHABLO O=C(Nc1ccccc1)c1cn2c(nc1=O)[C@@H]1C[N@H+](Cc3cc(Cl)ccc3F)C[C@@H]1C2 ZINC000306136562 568769507 /nfs/dbraw/zinc/76/95/07/568769507.db2.gz PXDIWFVVRMOONU-CRAIPNDOSA-N 1 2 438.890 3.517 40 0 IHABLO O=C(Nc1ccccc1)c1cn2c(nc1=O)[C@@H]1C[N@@H+](Cc3cc(Cl)ccc3F)C[C@@H]1C2 ZINC000306136562 568769508 /nfs/dbraw/zinc/76/95/08/568769508.db2.gz PXDIWFVVRMOONU-CRAIPNDOSA-N 1 2 438.890 3.517 40 0 IHABLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C1)CCC2 ZINC000019693604 569228932 /nfs/dbraw/zinc/22/89/32/569228932.db2.gz PPLBKMCIFPNRCC-AREMUKBSSA-N 1 2 443.547 3.918 40 0 IHABLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C1)CCC2 ZINC000019693604 569228933 /nfs/dbraw/zinc/22/89/33/569228933.db2.gz PPLBKMCIFPNRCC-AREMUKBSSA-N 1 2 443.547 3.918 40 0 IHABLO CCc1nc(-c2cncnc2[C@@H]2C[N@H+](Cc3cn(CC)c4cc(F)ccc34)CCO2)no1 ZINC000019693772 569229073 /nfs/dbraw/zinc/22/90/73/569229073.db2.gz XZHYDIXJOAGHEG-FQEVSTJZSA-N 1 2 436.491 3.776 40 0 IHABLO CCc1nc(-c2cncnc2[C@@H]2C[N@@H+](Cc3cn(CC)c4cc(F)ccc34)CCO2)no1 ZINC000019693772 569229074 /nfs/dbraw/zinc/22/90/74/569229074.db2.gz XZHYDIXJOAGHEG-FQEVSTJZSA-N 1 2 436.491 3.776 40 0 IHABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(OC(C)C)c(Cn3cccn3)c2)ncc1C(N)=O ZINC000019764581 569238456 /nfs/dbraw/zinc/23/84/56/569238456.db2.gz ZMUIJVPRQIGUHI-QFIPXVFZSA-N 1 2 448.571 3.643 40 0 IHABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(OC(C)C)c(Cn3cccn3)c2)ncc1C(N)=O ZINC000019764581 569238457 /nfs/dbraw/zinc/23/84/57/569238457.db2.gz ZMUIJVPRQIGUHI-QFIPXVFZSA-N 1 2 448.571 3.643 40 0 IHABLO Cc1nc([C@H]2CCCCN2C(=O)CCCn2c3ccccc3[nH+]c2C(C)C)ncc1C(N)=O ZINC000019764515 569238471 /nfs/dbraw/zinc/23/84/71/569238471.db2.gz FQDLNZQXPORCFV-OAQYLSRUSA-N 1 2 448.571 3.891 40 0 IHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1c(F)cccc1Cl ZINC000261364213 569315741 /nfs/dbraw/zinc/31/57/41/569315741.db2.gz KAMDBTIZODLQIL-LJQANCHMSA-O 1 2 431.900 3.955 40 0 IHABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328964946 569583203 /nfs/dbraw/zinc/58/32/03/569583203.db2.gz BZBXIIZHBHRIKN-LJQANCHMSA-N 1 2 447.461 4.478 40 0 IHABLO CC(C)[C@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329058383 569583424 /nfs/dbraw/zinc/58/34/24/569583424.db2.gz WCMIHCLTUIZGAS-IBGZPJMESA-N 1 2 442.361 4.342 40 0 IHABLO CC(C)NC(=O)N[C@H]1C[C@@H](Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)C1(C)C ZINC000067890170 291365356 /nfs/dbraw/zinc/36/53/56/291365356.db2.gz ZMSQMZSCCVJORD-XXBNENTESA-N 1 2 439.604 3.662 40 0 biogenic,in-vitro IHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)cn1 ZINC000019762915 193916342 /nfs/dbraw/zinc/91/63/42/193916342.db2.gz SUNBMFQSAOOOJE-OAQYLSRUSA-N 1 2 448.552 3.734 40 0 IHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)cn1 ZINC000019762915 193916346 /nfs/dbraw/zinc/91/63/46/193916346.db2.gz SUNBMFQSAOOOJE-OAQYLSRUSA-N 1 2 448.552 3.734 40 0 IHABLO CCCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497376 521256368 /nfs/dbraw/zinc/25/63/68/521256368.db2.gz ULJQRIQFIWZTKL-MSZDEVHKSA-N 1 2 434.536 3.856 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012466169 521283391 /nfs/dbraw/zinc/28/33/91/521283391.db2.gz IIIOSNOZMSVTDP-OPAMFIHVSA-N 1 2 436.560 3.850 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012466169 521283399 /nfs/dbraw/zinc/28/33/99/521283399.db2.gz IIIOSNOZMSVTDP-OPAMFIHVSA-N 1 2 436.560 3.850 40 0 IHABLO Cc1cc(I)ccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022534113 525012684 /nfs/dbraw/zinc/01/26/84/525012684.db2.gz JWRGPFYNGJXNNE-UHFFFAOYSA-N 1 2 436.293 3.684 40 0 IHABLO Cc1nn(C)cc1C(=O)N1CCn2c([nH+]c(-c3ccc(N(C)C)cc3)c2NC(C)(C)C)C1 ZINC000012221453 527689730 /nfs/dbraw/zinc/68/97/30/527689730.db2.gz KHORGVIAIHTDQG-UHFFFAOYSA-N 1 2 435.576 3.524 40 0 IHABLO CC(C)(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)Cn3cc[nH+]c3)cc2n1 ZINC000012087915 556400901 /nfs/dbraw/zinc/40/09/01/556400901.db2.gz GLRPCEJXDXHXIT-HNNXBMFYSA-N 1 2 434.466 3.996 40 0 IHABLO OC1CC[NH+]([C@H]2c3cc(-c4ccccc4)cnc3Sc3nc(-c4cccnc4)nn32)CC1 ZINC000013566592 556519811 /nfs/dbraw/zinc/51/98/11/556519811.db2.gz RCYCTVVEMTVTBP-HSZRJFAPSA-N 1 2 442.548 3.870 40 0 IHABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000044844802 556669064 /nfs/dbraw/zinc/66/90/64/556669064.db2.gz IPJKLPWBYCIBKE-UHFFFAOYSA-N 1 2 432.505 3.603 40 0 IHABLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C1)CCC2 ZINC000257217952 556703347 /nfs/dbraw/zinc/70/33/47/556703347.db2.gz DBGOHRSBXUWUFV-SANMLTNESA-N 1 2 443.547 3.918 40 0 IHABLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C1)CCC2 ZINC000257217952 556703349 /nfs/dbraw/zinc/70/33/49/556703349.db2.gz DBGOHRSBXUWUFV-SANMLTNESA-N 1 2 443.547 3.918 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 ZINC000257247692 556711448 /nfs/dbraw/zinc/71/14/48/556711448.db2.gz JABITYBXDLOIEC-JOCHJYFZSA-N 1 2 426.520 3.811 40 0 IHABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 ZINC000000927844 556754029 /nfs/dbraw/zinc/75/40/29/556754029.db2.gz QBPFBDOOMADZPL-UHFFFAOYSA-N 1 2 444.539 3.516 40 0 IHABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 ZINC000000927844 556754033 /nfs/dbraw/zinc/75/40/33/556754033.db2.gz QBPFBDOOMADZPL-UHFFFAOYSA-N 1 2 444.539 3.516 40 0 IHABLO CCn1c(C[N@@H+]2CCNC(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)nc2ccccc21 ZINC000019524308 556781668 /nfs/dbraw/zinc/78/16/68/556781668.db2.gz VHZHKAVGGLLVFB-QFIPXVFZSA-N 1 2 439.563 3.909 40 0 IHABLO CCn1c(C[N@H+]2CCNC(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)nc2ccccc21 ZINC000019524308 556781670 /nfs/dbraw/zinc/78/16/70/556781670.db2.gz VHZHKAVGGLLVFB-QFIPXVFZSA-N 1 2 439.563 3.909 40 0 IHABLO Cc1nn(C)c(C)c1CCCNC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](C)CCO1 ZINC000019696723 556853791 /nfs/dbraw/zinc/85/37/91/556853791.db2.gz YECNNTXRNSDCFX-LJQANCHMSA-N 1 2 426.586 3.617 40 0 IHABLO Cc1nn(C)c(C)c1CCCNC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](C)CCO1 ZINC000019696723 556853796 /nfs/dbraw/zinc/85/37/96/556853796.db2.gz YECNNTXRNSDCFX-LJQANCHMSA-N 1 2 426.586 3.617 40 0 IHABLO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3c4ccccc4sc3C(N)=O)C2)cc1 ZINC000019697621 556855132 /nfs/dbraw/zinc/85/51/32/556855132.db2.gz IZHLXNKEDKJHSD-IBGZPJMESA-N 1 2 448.548 3.972 40 0 IHABLO COc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3c4ccccc4sc3C(N)=O)C2)cc1 ZINC000019697621 556855136 /nfs/dbraw/zinc/85/51/36/556855136.db2.gz IZHLXNKEDKJHSD-IBGZPJMESA-N 1 2 448.548 3.972 40 0 IHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697889 556856006 /nfs/dbraw/zinc/85/60/06/556856006.db2.gz JRWJFXJOCRJKEC-FQEVSTJZSA-N 1 2 440.565 3.514 40 0 IHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697889 556856011 /nfs/dbraw/zinc/85/60/11/556856011.db2.gz JRWJFXJOCRJKEC-FQEVSTJZSA-N 1 2 440.565 3.514 40 0 IHABLO COc1ccc(CN2CCCc3c(C)nc([C@H]4CCC[N@H+](Cc5ncc[nH]5)C4)nc32)cc1 ZINC000019706587 556864982 /nfs/dbraw/zinc/86/49/82/556864982.db2.gz XTHQOGQMXKPLND-FQEVSTJZSA-N 1 2 432.572 3.849 40 0 IHABLO COc1ccc(CN2CCCc3c(C)nc([C@H]4CCC[N@@H+](Cc5ncc[nH]5)C4)nc32)cc1 ZINC000019706587 556864986 /nfs/dbraw/zinc/86/49/86/556864986.db2.gz XTHQOGQMXKPLND-FQEVSTJZSA-N 1 2 432.572 3.849 40 0 IHABLO CC(=O)N1CCC(c2nc3c(c(NCCCc4ccccc4Cl)n2)C[N@H+](C)CC3)CC1 ZINC000019710500 556873750 /nfs/dbraw/zinc/87/37/50/556873750.db2.gz BBYBKECGQWSVRA-UHFFFAOYSA-N 1 2 442.007 3.889 40 0 IHABLO CC(=O)N1CCC(c2nc3c(c(NCCCc4ccccc4Cl)n2)C[N@@H+](C)CC3)CC1 ZINC000019710500 556873754 /nfs/dbraw/zinc/87/37/54/556873754.db2.gz BBYBKECGQWSVRA-UHFFFAOYSA-N 1 2 442.007 3.889 40 0 IHABLO Cc1nc([C@H]2CCC[N@H+]2Cc2cccnc2N(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019755038 556898288 /nfs/dbraw/zinc/89/82/88/556898288.db2.gz HFHFEGIUXVKILI-JOCHJYFZSA-N 1 2 448.546 3.652 40 0 IHABLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cccnc2N(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019755038 556898293 /nfs/dbraw/zinc/89/82/93/556898293.db2.gz HFHFEGIUXVKILI-JOCHJYFZSA-N 1 2 448.546 3.652 40 0 IHABLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)c1C ZINC000019762375 556906452 /nfs/dbraw/zinc/90/64/52/556906452.db2.gz XYGRCBXUMGKXER-XMMPIXPASA-N 1 2 435.572 3.780 40 0 IHABLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)c1C ZINC000019762375 556906455 /nfs/dbraw/zinc/90/64/55/556906455.db2.gz XYGRCBXUMGKXER-XMMPIXPASA-N 1 2 435.572 3.780 40 0 IHABLO CC(C)NC(=O)c1cc([C@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)nc2ccccc21 ZINC000019762234 556906495 /nfs/dbraw/zinc/90/64/95/556906495.db2.gz INPOLMXCYGQPQP-JOCHJYFZSA-N 1 2 435.572 3.967 40 0 IHABLO CC(C)NC(=O)c1cc([C@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)nc2ccccc21 ZINC000019762234 556906499 /nfs/dbraw/zinc/90/64/99/556906499.db2.gz INPOLMXCYGQPQP-JOCHJYFZSA-N 1 2 435.572 3.967 40 0 IHABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@H+](CC(=O)N4CCCCC4)C3)c(=O)c2c1C ZINC000072347706 556918957 /nfs/dbraw/zinc/91/89/57/556918957.db2.gz JRBHRJFOYKBYAT-GOSISDBHSA-N 1 2 430.618 3.848 40 0 IHABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@@H+](CC(=O)N4CCCCC4)C3)c(=O)c2c1C ZINC000072347706 556918959 /nfs/dbraw/zinc/91/89/59/556918959.db2.gz JRBHRJFOYKBYAT-GOSISDBHSA-N 1 2 430.618 3.848 40 0 IHABLO CC(=O)N1Cc2cc(C)ccc2OC2(CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)C1 ZINC000072394447 556965955 /nfs/dbraw/zinc/96/59/55/556965955.db2.gz UNDCFLKTRDLKNV-UHFFFAOYSA-N 1 2 441.959 3.863 40 0 IHABLO CC(C)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000072398764 556970659 /nfs/dbraw/zinc/97/06/59/556970659.db2.gz ZJZWIZBMFPTGAB-SFHVURJKSA-N 1 2 437.588 3.511 40 0 IHABLO CC(C)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000072398764 556970661 /nfs/dbraw/zinc/97/06/61/556970661.db2.gz ZJZWIZBMFPTGAB-SFHVURJKSA-N 1 2 437.588 3.511 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000001224926 557120396 /nfs/dbraw/zinc/12/03/96/557120396.db2.gz PFYSSDAYXSPBCB-KOSHJBKYSA-N 1 2 442.567 3.947 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000001224926 557120399 /nfs/dbraw/zinc/12/03/99/557120399.db2.gz PFYSSDAYXSPBCB-KOSHJBKYSA-N 1 2 442.567 3.947 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000006198359 557149697 /nfs/dbraw/zinc/14/96/97/557149697.db2.gz KPQCOZBFKUIKQO-HSZRJFAPSA-N 1 2 428.540 3.701 40 0 IHABLO COc1cccc(C[N@@H+]2Cc3ccccc3[C@]23CO[C@@H](C(=O)N(C)Cc2ccccn2)C3)c1 ZINC000096143958 557171297 /nfs/dbraw/zinc/17/12/97/557171297.db2.gz YRLILHNLLBKCDK-VPUSJEBWSA-N 1 2 443.547 3.749 40 0 IHABLO COc1cccc(C[N@H+]2Cc3ccccc3[C@]23CO[C@@H](C(=O)N(C)Cc2ccccn2)C3)c1 ZINC000096143958 557171303 /nfs/dbraw/zinc/17/13/03/557171303.db2.gz YRLILHNLLBKCDK-VPUSJEBWSA-N 1 2 443.547 3.749 40 0 IHABLO C[NH+]1CCN(C(=O)c2cnc(-c3noc4cc(NCc5ccccc5)ccc43)s2)CC1 ZINC000096266593 557192506 /nfs/dbraw/zinc/19/25/06/557192506.db2.gz JJQDTVZFOWHALH-UHFFFAOYSA-N 1 2 433.537 3.951 40 0 IHABLO CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCC[C@@H](Cc2cccc3[nH+]ccn32)CC1 ZINC000585261810 557196958 /nfs/dbraw/zinc/19/69/58/557196958.db2.gz OALROBYSOYFWQM-GOSISDBHSA-N 1 2 436.531 3.853 40 0 IHABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1F ZINC000038594611 557238970 /nfs/dbraw/zinc/23/89/70/557238970.db2.gz HNYBXWJCQXGUCL-UHFFFAOYSA-N 1 2 440.540 3.930 40 0 IHABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500539 557323920 /nfs/dbraw/zinc/32/39/20/557323920.db2.gz OIUXIYVKVCKFGJ-NRFANRHFSA-N 1 2 440.592 3.550 40 0 IHABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500539 557323921 /nfs/dbraw/zinc/32/39/21/557323921.db2.gz OIUXIYVKVCKFGJ-NRFANRHFSA-N 1 2 440.592 3.550 40 0 IHABLO O=c1[nH]c2cc3c(cc2cc1C[NH2+]c1ccc(N(CCO)Cc2ccccc2)cc1)OCO3 ZINC000013563111 557353185 /nfs/dbraw/zinc/35/31/85/557353185.db2.gz OIKQKSIOQRJNNS-UHFFFAOYSA-N 1 2 443.503 3.868 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1CC[NH+]1CCOCC1 ZINC000223156658 557439973 /nfs/dbraw/zinc/43/99/73/557439973.db2.gz ZSOCFEBTDRZOAC-PKTZIBPZSA-N 1 2 434.565 3.646 40 0 IHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000020150651 557516213 /nfs/dbraw/zinc/51/62/13/557516213.db2.gz ASKYGVKMRJNGRU-BOCITWAFSA-N 1 2 434.536 3.856 40 0 IHABLO O=C1C2[C@H](c3cccnc3)N[C@@H](c3cccnc3)C1[C@@H](c1cccnc1)[NH2+][C@@H]2c1cccnc1 ZINC000004042667 557530842 /nfs/dbraw/zinc/53/08/42/557530842.db2.gz LDJCBJLZNMUUBF-SVUFUNOJSA-N 1 2 448.530 3.540 40 0 IHABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1C(=O)NC(C)C ZINC000224960815 557671584 /nfs/dbraw/zinc/67/15/84/557671584.db2.gz CNGQHIZFMOXPHZ-UHFFFAOYSA-N 1 2 431.558 3.625 40 0 IHABLO COc1cccc2ccc(C[N@@H+]3CCO[C@H](c4ccc(Nc5ncccn5)cn4)C3)nc21 ZINC000257200662 568665405 /nfs/dbraw/zinc/66/54/05/568665405.db2.gz AEIDBFJFVVVOII-QFIPXVFZSA-N 1 2 428.496 3.746 40 0 IHABLO COc1cccc2ccc(C[N@H+]3CCO[C@H](c4ccc(Nc5ncccn5)cn4)C3)nc21 ZINC000257200662 568665408 /nfs/dbraw/zinc/66/54/08/568665408.db2.gz AEIDBFJFVVVOII-QFIPXVFZSA-N 1 2 428.496 3.746 40 0 IHABLO COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)C[N@H+](C)Cc4ccccn4)C3)o2)c1 ZINC000257200916 568665489 /nfs/dbraw/zinc/66/54/89/568665489.db2.gz AFILEJHEACQJAO-FQEVSTJZSA-N 1 2 434.540 3.507 40 0 IHABLO COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)C[N@@H+](C)Cc4ccccn4)C3)o2)c1 ZINC000257200916 568665490 /nfs/dbraw/zinc/66/54/90/568665490.db2.gz AFILEJHEACQJAO-FQEVSTJZSA-N 1 2 434.540 3.507 40 0 IHABLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC([C@]3(C)CN(Cc4ccccc4)C(=O)O3)CC2)cc1 ZINC000257201587 568665662 /nfs/dbraw/zinc/66/56/62/568665662.db2.gz AIFUNKGHZGGWLL-SANMLTNESA-N 1 2 449.551 3.951 40 0 IHABLO COc1cc2c(cc1CN1CCO[C@@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C1)OCCO2 ZINC000257201826 568666081 /nfs/dbraw/zinc/66/60/81/568666081.db2.gz AJEBVFLJYXHXMM-XMMPIXPASA-N 1 2 448.523 3.882 40 0 IHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc3c(c2)ncn3CCOC)n1 ZINC000257234443 568681032 /nfs/dbraw/zinc/68/10/32/568681032.db2.gz GTOHFMCRNUEYJM-JOCHJYFZSA-N 1 2 444.539 3.803 40 0 IHABLO O=C(C[NH+]1CCC(Cc2cc(Nc3nccs3)ncn2)CC1)Nc1ccccc1F ZINC000257249067 568688103 /nfs/dbraw/zinc/68/81/03/568688103.db2.gz JGOKNJQWQUHAHB-UHFFFAOYSA-N 1 2 426.521 3.709 40 0 IHABLO COc1cccc(C(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)c1OCc1ccccn1 ZINC000257261977 568694209 /nfs/dbraw/zinc/69/42/09/568694209.db2.gz LJMXWQSKJHSGJD-FQEVSTJZSA-N 1 2 432.524 3.805 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCOC[C@@H](Cc2cccc3ncccc23)C1 ZINC000257284606 568704218 /nfs/dbraw/zinc/70/42/18/568704218.db2.gz PDKZHMMTVHLWKL-NRFANRHFSA-N 1 2 426.520 3.811 40 0 IHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257285529 568704754 /nfs/dbraw/zinc/70/47/54/568704754.db2.gz PHPHSFZDOWULOY-ICSRJNTNSA-N 1 2 426.410 3.687 40 0 IHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257285529 568704756 /nfs/dbraw/zinc/70/47/56/568704756.db2.gz PHPHSFZDOWULOY-ICSRJNTNSA-N 1 2 426.410 3.687 40 0 IHABLO COc1ccccc1[C@@H]1CN(C(=O)c2cccc(OC)c2OCc2ccccn2)CC[N@@H+]1C ZINC000257287443 568705629 /nfs/dbraw/zinc/70/56/29/568705629.db2.gz PQAGPOPRKUAJSU-QFIPXVFZSA-N 1 2 447.535 3.807 40 0 IHABLO COc1ccccc1[C@@H]1CN(C(=O)c2cccc(OC)c2OCc2ccccn2)CC[N@H+]1C ZINC000257287443 568705630 /nfs/dbraw/zinc/70/56/30/568705630.db2.gz PQAGPOPRKUAJSU-QFIPXVFZSA-N 1 2 447.535 3.807 40 0 IHABLO COc1ccccc1[C@H]1CN(C(=O)c2cccc(OC)c2OCc2ccccn2)CC[N@@H+]1C ZINC000257287442 568705670 /nfs/dbraw/zinc/70/56/70/568705670.db2.gz PQAGPOPRKUAJSU-JOCHJYFZSA-N 1 2 447.535 3.807 40 0 IHABLO COc1ccccc1[C@H]1CN(C(=O)c2cccc(OC)c2OCc2ccccn2)CC[N@H+]1C ZINC000257287442 568705671 /nfs/dbraw/zinc/70/56/71/568705671.db2.gz PQAGPOPRKUAJSU-JOCHJYFZSA-N 1 2 447.535 3.807 40 0 IHABLO Cc1cc(Nc2cc(C3CC[NH+](CC(=O)Nc4c(F)cccc4F)CC3)nc(C)n2)n[nH]1 ZINC000257315986 568717977 /nfs/dbraw/zinc/71/79/77/568717977.db2.gz VDQDOCUAGKXZBH-UHFFFAOYSA-N 1 2 441.486 3.656 40 0 IHABLO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2cccnc2)CCO1)N1CCCCC1 ZINC000257322300 568721030 /nfs/dbraw/zinc/72/10/30/568721030.db2.gz WFKGOUJXWJEBEX-DEOSSOPVSA-N 1 2 443.975 3.788 40 0 IHABLO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2cccnc2)CCO1)N1CCCCC1 ZINC000257322300 568721032 /nfs/dbraw/zinc/72/10/32/568721032.db2.gz WFKGOUJXWJEBEX-DEOSSOPVSA-N 1 2 443.975 3.788 40 0 IHABLO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2cccnc2)CCO1)N1CCCCC1 ZINC000257322301 568721066 /nfs/dbraw/zinc/72/10/66/568721066.db2.gz WFKGOUJXWJEBEX-XMMPIXPASA-N 1 2 443.975 3.788 40 0 IHABLO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2cccnc2)CCO1)N1CCCCC1 ZINC000257322301 568721067 /nfs/dbraw/zinc/72/10/67/568721067.db2.gz WFKGOUJXWJEBEX-XMMPIXPASA-N 1 2 443.975 3.788 40 0 IHABLO Cc1cccnc1C[N@@H+]1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NCC3CC3)c(C)n2n1 ZINC000257330503 568724716 /nfs/dbraw/zinc/72/47/16/568724716.db2.gz XORQSIPIRPJDJT-DEOSSOPVSA-N 1 2 446.599 3.845 40 0 IHABLO Cc1cccnc1C[N@H+]1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NCC3CC3)c(C)n2n1 ZINC000257330503 568724718 /nfs/dbraw/zinc/72/47/18/568724718.db2.gz XORQSIPIRPJDJT-DEOSSOPVSA-N 1 2 446.599 3.845 40 0 IHABLO Cc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NCCCO)n1 ZINC000328985354 568808554 /nfs/dbraw/zinc/80/85/54/568808554.db2.gz HSZNSQFNFXOPBN-UHFFFAOYSA-N 1 2 432.446 3.601 40 0 IHABLO CCn1cc[nH+]c1CN1CCCC[C@H]1c1ncc(C(=O)NCc2cccc(OC)c2)c(C)n1 ZINC000019764688 569238445 /nfs/dbraw/zinc/23/84/45/569238445.db2.gz GEGNSQVXZRKZMT-QFIPXVFZSA-N 1 2 448.571 3.667 40 0 IHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000261364850 569315739 /nfs/dbraw/zinc/31/57/39/569315739.db2.gz ODEPWCZPYBYCAK-SFHVURJKSA-O 1 2 433.435 3.791 40 0 IHABLO O=C(NCCO)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000019696788 569326804 /nfs/dbraw/zinc/32/68/04/569326804.db2.gz BWEXXQGHRNWZRU-OAQYLSRUSA-N 1 2 447.560 3.745 40 0 IHABLO O=C(NCCO)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000019696788 569326805 /nfs/dbraw/zinc/32/68/05/569326805.db2.gz BWEXXQGHRNWZRU-OAQYLSRUSA-N 1 2 447.560 3.745 40 0 IHABLO CCOC(=O)[C@H]1CCC[N@@H+](c2ccc(NCc3cc4cc(OC)ccc4[nH]c3=O)cc2)C1 ZINC000013563102 132350109 /nfs/dbraw/zinc/35/01/09/132350109.db2.gz QFUTVYJCFSXXBZ-KRWDZBQOSA-N 1 2 435.524 3.928 40 0 IHABLO CCOC(=O)[C@H]1CCC[N@H+](c2ccc(NCc3cc4cc(OC)ccc4[nH]c3=O)cc2)C1 ZINC000013563102 132350111 /nfs/dbraw/zinc/35/01/11/132350111.db2.gz QFUTVYJCFSXXBZ-KRWDZBQOSA-N 1 2 435.524 3.928 40 0 IHABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529828 524012578 /nfs/dbraw/zinc/01/25/78/524012578.db2.gz RZMJMVQWIMSIMJ-VXKWHMMOSA-N 1 2 425.492 3.974 40 0 biogenic,in-vitro IHABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529828 524012582 /nfs/dbraw/zinc/01/25/82/524012582.db2.gz RZMJMVQWIMSIMJ-VXKWHMMOSA-N 1 2 425.492 3.974 40 0 biogenic,in-vitro IHABLO COc1ccc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cc1Cn1cccn1 ZINC000012142921 524039553 /nfs/dbraw/zinc/03/95/53/524039553.db2.gz SFNKGXJMQFIHRN-UHFFFAOYSA-N 1 2 446.555 3.544 40 0 IHABLO COc1ccc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cc1Cn1cccn1 ZINC000012142921 524039555 /nfs/dbraw/zinc/03/95/55/524039555.db2.gz SFNKGXJMQFIHRN-UHFFFAOYSA-N 1 2 446.555 3.544 40 0 IHABLO Cc1cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616609 526253766 /nfs/dbraw/zinc/25/37/66/526253766.db2.gz JSNARHDHLJMUAC-UHFFFAOYSA-N 1 2 447.489 3.965 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1CC[NH+]1CCOCC1 ZINC000223149921 526386571 /nfs/dbraw/zinc/38/65/71/526386571.db2.gz WXLQYVBAIAIHQG-DHIUTWEWSA-N 1 2 439.629 3.693 40 0 IHABLO O=C1CC2(c3ccccc3-c3ccccc32)C(=O)N1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000033744627 556567466 /nfs/dbraw/zinc/56/74/66/556567466.db2.gz CHNPABOQKWZLBN-UHFFFAOYSA-N 1 2 441.506 3.631 40 0 IHABLO Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000017357965 556676418 /nfs/dbraw/zinc/67/64/18/556676418.db2.gz GYBWWXLRIYVZFU-UHFFFAOYSA-N 1 2 449.576 3.754 40 0 IHABLO C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)c3cccc(Cn4cc[nH+]c4)c3)[C@H]1CCCC(=O)N2 ZINC000257227096 556708532 /nfs/dbraw/zinc/70/85/32/556708532.db2.gz FNPRFZQGRGEPBI-DXBVXKBHSA-N 1 2 442.563 3.816 40 0 IHABLO O=C(c1ccc2ccccc2c1)[C@H]([C@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019366038 556746009 /nfs/dbraw/zinc/74/60/09/556746009.db2.gz CQVAZCMDGXTNBW-UIOOFZCWSA-N 1 2 430.548 3.797 40 0 IHABLO CCn1c(C[N@@H+]2CCNC(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)nc2ccccc21 ZINC000019524309 556781527 /nfs/dbraw/zinc/78/15/27/556781527.db2.gz VHZHKAVGGLLVFB-JOCHJYFZSA-N 1 2 439.563 3.909 40 0 IHABLO CCn1c(C[N@H+]2CCNC(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)nc2ccccc21 ZINC000019524309 556781530 /nfs/dbraw/zinc/78/15/30/556781530.db2.gz VHZHKAVGGLLVFB-JOCHJYFZSA-N 1 2 439.563 3.909 40 0 IHABLO COc1ccc2c(c1)C=C(C[NH+]1CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC1)CO2 ZINC000019562260 556803756 /nfs/dbraw/zinc/80/37/56/556803756.db2.gz OUUUTQZNAZUYSL-UHFFFAOYSA-N 1 2 448.972 3.803 40 0 IHABLO Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](c2ccc(-c3ccc(N)[nH+]c3)cn2)C1 ZINC000019689285 556844047 /nfs/dbraw/zinc/84/40/47/556844047.db2.gz MYNBOTTUTADQAE-SFHVURJKSA-N 1 2 426.517 3.742 40 0 IHABLO CNc1nc([C@@H]2CCCCN2C(=O)C(C)(C)c2cccc(F)c2)nc2c1C[N@H+](C)CC2 ZINC000019710357 556872436 /nfs/dbraw/zinc/87/24/36/556872436.db2.gz YUBBTBISCSOENH-FQEVSTJZSA-N 1 2 425.552 3.677 40 0 IHABLO CNc1nc([C@@H]2CCCCN2C(=O)C(C)(C)c2cccc(F)c2)nc2c1C[N@@H+](C)CC2 ZINC000019710357 556872439 /nfs/dbraw/zinc/87/24/39/556872439.db2.gz YUBBTBISCSOENH-FQEVSTJZSA-N 1 2 425.552 3.677 40 0 IHABLO Cc1c(C[N@@H+]2CCC[C@H]2c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)cnn1C ZINC000019740680 556881404 /nfs/dbraw/zinc/88/14/04/556881404.db2.gz GKBMRXZHMCKTPL-QHCPKHFHSA-N 1 2 444.583 3.686 40 0 IHABLO Cc1c(C[N@H+]2CCC[C@H]2c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)cnn1C ZINC000019740680 556881408 /nfs/dbraw/zinc/88/14/08/556881408.db2.gz GKBMRXZHMCKTPL-QHCPKHFHSA-N 1 2 444.583 3.686 40 0 IHABLO Cc1nc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741665 556884504 /nfs/dbraw/zinc/88/45/04/556884504.db2.gz WQOWLXHNACFXJJ-OAQYLSRUSA-N 1 2 444.583 3.800 40 0 IHABLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741665 556884507 /nfs/dbraw/zinc/88/45/07/556884507.db2.gz WQOWLXHNACFXJJ-OAQYLSRUSA-N 1 2 444.583 3.800 40 0 IHABLO Cc1nc([C@@H]2CCCN(Cc3[nH]cc[nH+]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741665 556884511 /nfs/dbraw/zinc/88/45/11/556884511.db2.gz WQOWLXHNACFXJJ-OAQYLSRUSA-N 1 2 444.583 3.800 40 0 IHABLO Cc1cc(NC(=O)C[NH+]2CCC([C@]3(C)CCCCN(Cc4ccccc4)C3=O)CC2)no1 ZINC000019743997 556889356 /nfs/dbraw/zinc/88/93/56/556889356.db2.gz YQVUXKWQOLREBV-VWLOTQADSA-N 1 2 438.572 3.853 40 0 IHABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CCN(C(=O)Cc3ccc4c(c3)OCCCO4)C2)n1 ZINC000072374684 556948537 /nfs/dbraw/zinc/94/85/37/556948537.db2.gz HTJAJDKFXUQCGC-FQEVSTJZSA-N 1 2 444.535 3.754 40 0 IHABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000020035965 556970170 /nfs/dbraw/zinc/97/01/70/556970170.db2.gz MNLBKAMPQYRGHC-UHFFFAOYSA-N 1 2 432.505 3.603 40 0 IHABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3cccs3)C[C@@]23CCCN(CC2CC2)C3=O)c1 ZINC000585107451 557038545 /nfs/dbraw/zinc/03/85/45/557038545.db2.gz WDNNSCQNRPCLLH-MBSDFSHPSA-N 1 2 426.586 3.784 40 0 IHABLO Cc1ccc(CC(=O)N2C[C@@H](c3cn(C(C)C)c[nH+]3)[C@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000585107393 557038652 /nfs/dbraw/zinc/03/86/52/557038652.db2.gz UMJXBFUDDSSCHP-WNCULLNHSA-N 1 2 448.611 3.960 40 0 IHABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccsc3)C[C@]23CCCN(CC2CC2)C3=O)c1 ZINC000585106649 557040410 /nfs/dbraw/zinc/04/04/10/557040410.db2.gz DOWYLJLLBBDEJC-AUSIDOKSSA-N 1 2 426.586 3.784 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006148928 557146111 /nfs/dbraw/zinc/14/61/11/557146111.db2.gz FDNNBOIJYNZQKB-QFIPXVFZSA-N 1 2 436.560 3.850 40 0 IHABLO CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](c2ccccc2)[C@]2(C1)CCCCC(=O)N2 ZINC000585261707 557196427 /nfs/dbraw/zinc/19/64/27/557196427.db2.gz YQCBMAAWULKVCQ-RXFWQSSRSA-N 1 2 430.552 3.654 40 0 IHABLO Cc1nn2c(nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccc(F)cc1 ZINC000013639240 557384580 /nfs/dbraw/zinc/38/45/80/557384580.db2.gz JXQQSPMVOUKTCC-UHFFFAOYSA-N 1 2 444.514 3.505 40 0 IHABLO COC(=O)c1ccc(NCCCn2cc[nH+]c2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223416951 557469468 /nfs/dbraw/zinc/46/94/68/557469468.db2.gz HZZZIRYLPLKTLU-UHFFFAOYSA-N 1 2 448.932 3.626 40 0 IHABLO CSc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)C(C)C ZINC000223780083 557512215 /nfs/dbraw/zinc/51/22/15/557512215.db2.gz FFHMFXISMCEBGV-UHFFFAOYSA-N 1 2 447.626 3.510 40 0 IHABLO CC[N@H+](CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(C)cc1 ZINC000224384231 557599955 /nfs/dbraw/zinc/59/99/55/557599955.db2.gz OHUKKCWSKPZZAE-UHFFFAOYSA-N 1 2 429.586 3.571 40 0 IHABLO CC[N@@H+](CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(C)cc1 ZINC000224384231 557599958 /nfs/dbraw/zinc/59/99/58/557599958.db2.gz OHUKKCWSKPZZAE-UHFFFAOYSA-N 1 2 429.586 3.571 40 0 IHABLO COc1cc(C[NH+]2CCN(C(=S)Nc3cccc(C)c3C)CC2)cc(OC)c1OC ZINC000225223998 557702257 /nfs/dbraw/zinc/70/22/57/557702257.db2.gz OBSCUROTTSYDRN-UHFFFAOYSA-N 1 2 429.586 3.844 40 0 IHABLO Fc1cc(Br)ccc1NC(=S)NCc1ccccc1C[NH+]1CCOCC1 ZINC000225778296 557776542 /nfs/dbraw/zinc/77/65/42/557776542.db2.gz JSDULPDCVGKAHK-UHFFFAOYSA-N 1 2 438.366 3.907 40 0 IHABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(Cc3ccc(F)cc3Cl)no2)cc1 ZINC000015675136 560095008 /nfs/dbraw/zinc/09/50/08/560095008.db2.gz ZINBJVRNDXJBLK-QUCCMNQESA-N 1 2 444.894 3.719 40 0 biogenic,in-vitro IHABLO CC(=O)Nc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(Cc3ccc(F)cc3Cl)no2)cc1 ZINC000015675136 560095010 /nfs/dbraw/zinc/09/50/10/560095010.db2.gz ZINBJVRNDXJBLK-QUCCMNQESA-N 1 2 444.894 3.719 40 0 biogenic,in-vitro IHABLO COc1cccc(C(=O)N2CCC(C)(c3cc(N)nc(C)[nH+]3)CC2)c1OCc1ccccn1 ZINC000257239062 568683366 /nfs/dbraw/zinc/68/33/66/568683366.db2.gz HNUBCYHGMWPCGP-UHFFFAOYSA-N 1 2 447.539 3.544 40 0 IHABLO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCO[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257244940 568686174 /nfs/dbraw/zinc/68/61/74/568686174.db2.gz INKIBFCMRVKBKM-DEOSSOPVSA-N 1 2 441.535 3.686 40 0 IHABLO Cc1nc2cc(C)ccn2c1C[N@H+]1CCO[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257244940 568686176 /nfs/dbraw/zinc/68/61/76/568686176.db2.gz INKIBFCMRVKBKM-DEOSSOPVSA-N 1 2 441.535 3.686 40 0 IHABLO CCc1nnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4sc(C)nc4C)CCO3)c2)s1 ZINC000257248826 568687848 /nfs/dbraw/zinc/68/78/48/568687848.db2.gz JFJWWZPDHCALTE-INIZCTEOSA-N 1 2 444.586 3.835 40 0 IHABLO CCOc1ccc(COC)cc1C[N@@H+]1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000257315913 568717863 /nfs/dbraw/zinc/71/78/63/568717863.db2.gz VDFZSPLQLYHMHT-QFIPXVFZSA-N 1 2 435.528 3.734 40 0 IHABLO CCOc1ccc(COC)cc1C[N@H+]1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000257315913 568717867 /nfs/dbraw/zinc/71/78/67/568717867.db2.gz VDFZSPLQLYHMHT-QFIPXVFZSA-N 1 2 435.528 3.734 40 0 IHABLO Cc1c2cc(C)ccc2oc1C(=O)N1CCO[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257321694 568720661 /nfs/dbraw/zinc/72/06/61/568720661.db2.gz WCUCNWRIENXHTM-HXUWFJFHSA-N 1 2 429.480 3.698 40 0 IHABLO Fc1ccccc1CN1CC[N@H+](CC2CC2)[C@H](c2cn3c(cccc3N3CCOCC3)n2)C1 ZINC000306125328 568763708 /nfs/dbraw/zinc/76/37/08/568763708.db2.gz CMQXTYVLPAIPQA-DEOSSOPVSA-N 1 2 449.574 3.579 40 0 IHABLO Fc1ccccc1CN1CC[N@@H+](CC2CC2)[C@H](c2cn3c(cccc3N3CCOCC3)n2)C1 ZINC000306125328 568763709 /nfs/dbraw/zinc/76/37/09/568763709.db2.gz CMQXTYVLPAIPQA-DEOSSOPVSA-N 1 2 449.574 3.579 40 0 IHABLO CCn1cc(-c2cc(C(=O)N3CC[NH+](Cc4ccco4)CC3)c3ccccc3n2)c(C)n1 ZINC000054975069 568784919 /nfs/dbraw/zinc/78/49/19/568784919.db2.gz OUDMBWJDMHBVIK-UHFFFAOYSA-N 1 2 429.524 3.978 40 0 IHABLO OCCCNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329017330 568809527 /nfs/dbraw/zinc/80/95/27/568809527.db2.gz NKRPLUIOESLVNL-UHFFFAOYSA-N 1 2 431.256 3.517 40 0 IHABLO Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(N[C@H](C)CO)n2)c1 ZINC000329024325 568809614 /nfs/dbraw/zinc/80/96/14/568809614.db2.gz OZBRMUNVYGEDOE-OAHLLOKOSA-N 1 2 432.446 3.599 40 0 IHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000245229553 569205137 /nfs/dbraw/zinc/20/51/37/569205137.db2.gz ASKYGVKMRJNGRU-IFOBJOEFSA-N 1 2 434.536 3.856 40 0 IHABLO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000253590919 569208835 /nfs/dbraw/zinc/20/88/35/569208835.db2.gz HKGCNPDTZSDSCW-GGPKGHCWSA-N 1 2 449.599 3.511 40 0 IHABLO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000253590919 569208836 /nfs/dbraw/zinc/20/88/36/569208836.db2.gz HKGCNPDTZSDSCW-GGPKGHCWSA-N 1 2 449.599 3.511 40 0 IHABLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C1)CCC2 ZINC000019693605 569228953 /nfs/dbraw/zinc/22/89/53/569228953.db2.gz PPLBKMCIFPNRCC-SANMLTNESA-N 1 2 443.547 3.918 40 0 IHABLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C1)CCC2 ZINC000019693605 569228954 /nfs/dbraw/zinc/22/89/54/569228954.db2.gz PPLBKMCIFPNRCC-SANMLTNESA-N 1 2 443.547 3.918 40 0 IHABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2ccncc2)[nH+]1 ZINC000328971665 569583335 /nfs/dbraw/zinc/58/33/35/569583335.db2.gz DRSWGGHBLAFMMD-LJQANCHMSA-N 1 2 442.361 4.342 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)cc2c1 ZINC000006198330 193891884 /nfs/dbraw/zinc/89/18/84/193891884.db2.gz KRLADMIXNDNSGJ-HSZRJFAPSA-N 1 2 446.530 3.840 40 0 IHABLO CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000035290726 521373579 /nfs/dbraw/zinc/37/35/79/521373579.db2.gz ASHWTZFSTJVRSP-QHCPKHFHSA-N 1 2 434.588 3.734 40 0 IHABLO C[N@@H+]1C[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000020464047 524011585 /nfs/dbraw/zinc/01/15/85/524011585.db2.gz SKLGYQBQINWZIL-HOCLYGCPSA-N 1 2 432.406 3.717 40 0 biogenic,in-vitro IHABLO C[N@H+]1C[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000020464047 524011587 /nfs/dbraw/zinc/01/15/87/524011587.db2.gz SKLGYQBQINWZIL-HOCLYGCPSA-N 1 2 432.406 3.717 40 0 biogenic,in-vitro IHABLO O=C(CSc1nnc2scc(-c3ccccc3)n12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022337683 527090884 /nfs/dbraw/zinc/09/08/84/527090884.db2.gz GXMHEYSMTNCBTI-UHFFFAOYSA-N 1 2 449.605 3.894 40 0 IHABLO O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022796726 527660802 /nfs/dbraw/zinc/66/08/02/527660802.db2.gz FJBCZMFEXMPRHS-HSZRJFAPSA-N 1 2 446.547 3.562 40 0 IHABLO Cc1cc(C)cc(-c2ccc(CC3(C(=O)NCC[NH+]4CCOCC4)CCOCC3)cc2)c1 ZINC000257319404 556704213 /nfs/dbraw/zinc/70/42/13/556704213.db2.gz VSHOOGOWHXEHJJ-UHFFFAOYSA-N 1 2 436.596 3.758 40 0 IHABLO O=C(C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000019345993 556742654 /nfs/dbraw/zinc/74/26/54/556742654.db2.gz PIZZQIWQGTVXML-ICFVPDRFSA-N 1 2 443.975 3.970 40 0 IHABLO O=C(C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000019345993 556742656 /nfs/dbraw/zinc/74/26/56/556742656.db2.gz PIZZQIWQGTVXML-ICFVPDRFSA-N 1 2 443.975 3.970 40 0 IHABLO CCN1CC[C@]2(C[C@@H](NC(=O)Cn3c(C)[nH+]c4ccccc43)c3ccccc3O2)CCC1=O ZINC000019527089 556785455 /nfs/dbraw/zinc/78/54/55/556785455.db2.gz XZRDJNAXXGIBED-RLWLMLJZSA-N 1 2 446.551 3.756 40 0 IHABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4ccnn4C)C3)c2)cc1 ZINC000019570331 556810454 /nfs/dbraw/zinc/81/04/54/556810454.db2.gz HEOMCWDRYKVBNR-GOSISDBHSA-N 1 2 433.512 3.894 40 0 IHABLO COc1ccc2c(c1)C[C@@H](C(=O)N1CCC(c3ccc(-c4ccc(N)[nH+]c4)cn3)CC1)CO2 ZINC000019688050 556842687 /nfs/dbraw/zinc/84/26/87/556842687.db2.gz QGBKCSARWWJKDF-OAQYLSRUSA-N 1 2 444.535 3.692 40 0 IHABLO CCN(CC)S(=O)(=O)N1CCC(c2cc(Cc3cccc(OC)c3)cc(C)[nH+]2)CC1 ZINC000019691673 556847160 /nfs/dbraw/zinc/84/71/60/556847160.db2.gz ZRNSLGWYFFABAK-UHFFFAOYSA-N 1 2 431.602 3.755 40 0 IHABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@@H](c3c4ccccc4sc3C(N)=O)C2)c1 ZINC000019697612 556854956 /nfs/dbraw/zinc/85/49/56/556854956.db2.gz TYLRYFHDBYESEM-LJQANCHMSA-N 1 2 426.538 3.729 40 0 IHABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@@H](c3c4ccccc4sc3C(N)=O)C2)c1 ZINC000019697612 556854958 /nfs/dbraw/zinc/85/49/58/556854958.db2.gz TYLRYFHDBYESEM-LJQANCHMSA-N 1 2 426.538 3.729 40 0 IHABLO Cc1nc(C2CC[NH+](Cc3ncc[nH]3)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019739294 556877276 /nfs/dbraw/zinc/87/72/76/556877276.db2.gz JTUAHTZKLLNZRP-UHFFFAOYSA-N 1 2 434.519 3.506 40 0 IHABLO O=C(C[NH+]1CCC([C@H]2CCCCN(CCc3ccccc3)C2=O)CC1)Nc1nccs1 ZINC000019744028 556889283 /nfs/dbraw/zinc/88/92/83/556889283.db2.gz GXKYTWIHDWAZGL-OAQYLSRUSA-N 1 2 440.613 3.665 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCO[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019759615 556903455 /nfs/dbraw/zinc/90/34/55/556903455.db2.gz IFYHWKORQXZWOY-DEOSSOPVSA-N 1 2 441.535 3.521 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCO[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019759615 556903457 /nfs/dbraw/zinc/90/34/57/556903457.db2.gz IFYHWKORQXZWOY-DEOSSOPVSA-N 1 2 441.535 3.521 40 0 IHABLO O=C(C1CCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCCC2)CC4)CC1 ZINC000072330526 556906170 /nfs/dbraw/zinc/90/61/70/556906170.db2.gz XUTROSZEKOVHCX-UHFFFAOYSA-N 1 2 437.588 3.632 40 0 IHABLO O=C(C1CCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCCC2)CC4)CC1 ZINC000072330526 556906172 /nfs/dbraw/zinc/90/61/72/556906172.db2.gz XUTROSZEKOVHCX-UHFFFAOYSA-N 1 2 437.588 3.632 40 0 IHABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1ccccc1OCc1ccccn1)CC2 ZINC000072339887 556911783 /nfs/dbraw/zinc/91/17/83/556911783.db2.gz ZBFWGFZJDNEKSK-UHFFFAOYSA-N 1 2 425.492 3.777 40 0 IHABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1ccccc1OCc1ccccn1)CC2 ZINC000072339887 556911785 /nfs/dbraw/zinc/91/17/85/556911785.db2.gz ZBFWGFZJDNEKSK-UHFFFAOYSA-N 1 2 425.492 3.777 40 0 IHABLO CCc1ccc(NC(=O)C[C@H]2C(=O)N(CCCn3cc[nH+]c3)c3nc4ccccc4n32)cc1 ZINC000019819467 556922723 /nfs/dbraw/zinc/92/27/23/556922723.db2.gz FEMLTSWYWYVEGG-QFIPXVFZSA-N 1 2 442.523 3.802 40 0 IHABLO CCn1cc(S(=O)(=O)N2CCC[C@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)c(C)n1 ZINC000072353400 556926531 /nfs/dbraw/zinc/92/65/31/556926531.db2.gz XLGHAFZUEDTVEX-SFHVURJKSA-N 1 2 440.573 3.622 40 0 IHABLO COc1ccc(Cc2cc(C)nc([C@H]3CCC[N@H+](CC(=O)Nc4cn(C)nc4C)C3)c2)cc1 ZINC000072354239 556929641 /nfs/dbraw/zinc/92/96/41/556929641.db2.gz REPOPFABEAQJJU-QFIPXVFZSA-N 1 2 447.583 3.849 40 0 IHABLO COc1ccc(Cc2cc(C)nc([C@H]3CCC[N@@H+](CC(=O)Nc4cn(C)nc4C)C3)c2)cc1 ZINC000072354239 556929644 /nfs/dbraw/zinc/92/96/44/556929644.db2.gz REPOPFABEAQJJU-QFIPXVFZSA-N 1 2 447.583 3.849 40 0 IHABLO Cc1nnc(Nc2cccc(C3CC[NH+](CC(=O)Nc4ccc(F)cc4)CC3)n2)s1 ZINC000072376134 556954254 /nfs/dbraw/zinc/95/42/54/556954254.db2.gz WSLZYGQVBZIIHB-UHFFFAOYSA-N 1 2 426.521 3.942 40 0 IHABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3cccc(F)c3)C[C@]23CCCN(CC2CC2)C3=O)c1 ZINC000585106566 557040614 /nfs/dbraw/zinc/04/06/14/557040614.db2.gz BIWNEEJZKOZMRZ-SQJMNOBHSA-N 1 2 438.547 3.862 40 0 IHABLO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(c3cc4nc(C)c(C)c(=O)n4[nH]3)CC2)o1 ZINC000100137315 557242249 /nfs/dbraw/zinc/24/22/49/557242249.db2.gz MFWDYTGGZIXYSD-UHFFFAOYSA-N 1 2 425.533 3.506 40 0 IHABLO Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000100155374 557244079 /nfs/dbraw/zinc/24/40/79/557244079.db2.gz YLKJLBDJFQRKFK-IBGZPJMESA-N 1 2 436.314 3.895 40 0 IHABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495981 557326065 /nfs/dbraw/zinc/32/60/65/557326065.db2.gz VBDFWZNXAGJOHI-OAQYLSRUSA-N 1 2 438.576 3.664 40 0 IHABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495981 557326068 /nfs/dbraw/zinc/32/60/68/557326068.db2.gz VBDFWZNXAGJOHI-OAQYLSRUSA-N 1 2 438.576 3.664 40 0 IHABLO COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223063920 557424311 /nfs/dbraw/zinc/42/43/11/557424311.db2.gz GPYYAEXIBBRPLK-DHIUTWEWSA-N 1 2 435.597 3.947 40 0 IHABLO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1Cl ZINC000014328008 557434993 /nfs/dbraw/zinc/43/49/93/557434993.db2.gz WPJSEZJDNXBQLZ-UHFFFAOYSA-N 1 2 428.916 3.953 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1CC[NH+]1CCOCC1 ZINC000223163018 557440295 /nfs/dbraw/zinc/44/02/95/557440295.db2.gz URRRCUHBDFATKO-GOTSBHOMSA-N 1 2 439.629 3.693 40 0 IHABLO Cc1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1C(=O)N1CC[NH+](C)CC1 ZINC000019855628 557509407 /nfs/dbraw/zinc/50/94/07/557509407.db2.gz AQRFITOMODWFML-UHFFFAOYSA-N 1 2 437.853 3.765 40 0 IHABLO CCCCOCc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1OC ZINC000224441537 557606566 /nfs/dbraw/zinc/60/65/66/557606566.db2.gz OQENPZKAZZWUNK-UHFFFAOYSA-N 1 2 440.540 3.699 40 0 IHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@@H](Cc2cccn3nccc23)CC1 ZINC000257203059 568666853 /nfs/dbraw/zinc/66/68/53/568666853.db2.gz AOMUHBNXZSSCPI-OAQYLSRUSA-N 1 2 432.568 3.652 40 0 IHABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@H+](Cc2cnn(C3CCCCC3)c2)CCO1 ZINC000257207230 568668635 /nfs/dbraw/zinc/66/86/35/568668635.db2.gz BGXYGLWBXPXMFZ-HSZRJFAPSA-N 1 2 446.979 3.567 40 0 IHABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2cnn(C3CCCCC3)c2)CCO1 ZINC000257207230 568668638 /nfs/dbraw/zinc/66/86/38/568668638.db2.gz BGXYGLWBXPXMFZ-HSZRJFAPSA-N 1 2 446.979 3.567 40 0 IHABLO CN(C)c1cc([C@@H]2CCCN2C(=O)C2(C)CCN(C(=O)Cc3ccccc3)CC2)cc[nH+]1 ZINC000257207216 568668676 /nfs/dbraw/zinc/66/86/76/568668676.db2.gz BGVDFIIBUYODRA-QFIPXVFZSA-N 1 2 434.584 3.683 40 0 IHABLO Nc1ccc(-c2cccc(C(=O)N3CCOC[C@@H](Cc4cnc5ccccc5c4)C3)n2)c[nH+]1 ZINC000257212146 568670674 /nfs/dbraw/zinc/67/06/74/568670674.db2.gz CCCUVLSUNRXOHK-IBGZPJMESA-N 1 2 439.519 3.605 40 0 IHABLO COCc1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cnn(C)c4)n3)C2)ccc1OC(C)C ZINC000257231624 568679640 /nfs/dbraw/zinc/67/96/40/568679640.db2.gz GHNDTAUMXAAZSJ-RUZDIDTESA-N 1 2 436.556 3.989 40 0 IHABLO COCc1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4cnn(C)c4)n3)C2)ccc1OC(C)C ZINC000257231624 568679644 /nfs/dbraw/zinc/67/96/44/568679644.db2.gz GHNDTAUMXAAZSJ-RUZDIDTESA-N 1 2 436.556 3.989 40 0 IHABLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CCC2 ZINC000257251813 568689402 /nfs/dbraw/zinc/68/94/02/568689402.db2.gz JSIRLUPMWHHOAR-QHCPKHFHSA-N 1 2 433.556 3.938 40 0 IHABLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CCC2 ZINC000257251813 568689405 /nfs/dbraw/zinc/68/94/05/568689405.db2.gz JSIRLUPMWHHOAR-QHCPKHFHSA-N 1 2 433.556 3.938 40 0 IHABLO CC(=O)N1CCN(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257260055 568693204 /nfs/dbraw/zinc/69/32/04/568693204.db2.gz LBDULVOVYGSMKH-XMMPIXPASA-N 1 2 449.555 3.502 40 0 IHABLO COc1ccc(CNc2cc(-c3cnc(N(C)C)nc3[C@H]3CCN(C(C)=O)C3)cc[nH+]2)cc1 ZINC000257261067 568693509 /nfs/dbraw/zinc/69/35/09/568693509.db2.gz LFPFVTKMSJYYMV-FQEVSTJZSA-N 1 2 446.555 3.561 40 0 IHABLO COCc1ccc(C(=O)N2CCO[C@@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)[nH+]3)C2)cc1 ZINC000257270717 568697957 /nfs/dbraw/zinc/69/79/57/568697957.db2.gz MVJQEMUKJQCNEX-HSZRJFAPSA-N 1 2 447.539 3.901 40 0 IHABLO COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)C[N@H+](C)Cc4cccnc4)C3)o2)cc1 ZINC000257278695 568701776 /nfs/dbraw/zinc/70/17/76/568701776.db2.gz ODGMBUSNMKXOBB-NRFANRHFSA-N 1 2 434.540 3.507 40 0 IHABLO COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)C[N@@H+](C)Cc4cccnc4)C3)o2)cc1 ZINC000257278695 568701777 /nfs/dbraw/zinc/70/17/77/568701777.db2.gz ODGMBUSNMKXOBB-NRFANRHFSA-N 1 2 434.540 3.507 40 0 IHABLO Cc1cccc(C[N@H+]2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)n1 ZINC000257321608 568720757 /nfs/dbraw/zinc/72/07/57/568720757.db2.gz WCIPWQVKHIXGJN-QHCPKHFHSA-N 1 2 434.588 3.844 40 0 IHABLO Cc1cccc(C[N@@H+]2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)n1 ZINC000257321608 568720759 /nfs/dbraw/zinc/72/07/59/568720759.db2.gz WCIPWQVKHIXGJN-QHCPKHFHSA-N 1 2 434.588 3.844 40 0 IHABLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(F)cc4)n(C)n3)C2)c1C ZINC000257340051 568728543 /nfs/dbraw/zinc/72/85/43/568728543.db2.gz ZEGXBYXCYGGXRW-DEOSSOPVSA-N 1 2 441.551 3.587 40 0 IHABLO CCn1nc(C)c(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(F)cc4)n(C)n3)C2)c1C ZINC000257340051 568728546 /nfs/dbraw/zinc/72/85/46/568728546.db2.gz ZEGXBYXCYGGXRW-DEOSSOPVSA-N 1 2 441.551 3.587 40 0 IHABLO Cc1nc2c(n1C(C)C)C[N@H+](Cc1ccc(F)cc1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306132940 568767451 /nfs/dbraw/zinc/76/74/51/568767451.db2.gz LXBYSZOFSGBZLQ-UHFFFAOYSA-N 1 2 427.568 3.943 40 0 IHABLO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1ccc(F)cc1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306132940 568767453 /nfs/dbraw/zinc/76/74/53/568767453.db2.gz LXBYSZOFSGBZLQ-UHFFFAOYSA-N 1 2 427.568 3.943 40 0 IHABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1ccc(F)cc1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306132940 568767454 /nfs/dbraw/zinc/76/74/54/568767454.db2.gz LXBYSZOFSGBZLQ-UHFFFAOYSA-N 1 2 427.568 3.943 40 0 IHABLO CC(C)n1cc(C[N@@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306136176 568769467 /nfs/dbraw/zinc/76/94/67/568769467.db2.gz PLOQQYSXYXHXSG-XMMPIXPASA-N 1 2 447.631 3.981 40 0 IHABLO CC(C)n1cc(C[N@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306136176 568769468 /nfs/dbraw/zinc/76/94/68/568769468.db2.gz PLOQQYSXYXHXSG-XMMPIXPASA-N 1 2 447.631 3.981 40 0 IHABLO CC(C)n1cc(CN2CC[N@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306136176 568769469 /nfs/dbraw/zinc/76/94/69/568769469.db2.gz PLOQQYSXYXHXSG-XMMPIXPASA-N 1 2 447.631 3.981 40 0 IHABLO CC(C)n1cc(CN2CC[N@@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306136176 568769470 /nfs/dbraw/zinc/76/94/70/568769470.db2.gz PLOQQYSXYXHXSG-XMMPIXPASA-N 1 2 447.631 3.981 40 0 IHABLO Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(N[C@@H](C)CO)n2)c1 ZINC000329024323 568809740 /nfs/dbraw/zinc/80/97/40/568809740.db2.gz OZBRMUNVYGEDOE-HNNXBMFYSA-N 1 2 432.446 3.599 40 0 IHABLO CCOC(=O)c1c(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)sc2c1CCCC2 ZINC000038757106 568902142 /nfs/dbraw/zinc/90/21/42/568902142.db2.gz XIHOUHHRTOZRKL-UHFFFAOYSA-N 1 2 428.554 3.888 40 0 IHABLO CCCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000229938595 569184925 /nfs/dbraw/zinc/18/49/25/569184925.db2.gz ULJQRIQFIWZTKL-BILGYAHESA-N 1 2 434.536 3.856 40 0 IHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000231644039 569186149 /nfs/dbraw/zinc/18/61/49/569186149.db2.gz OIKYCLFXMWKDDE-YCFYUYSTSA-N 1 2 438.499 3.686 40 0 IHABLO CCc1c(C)sc2ncn([C@@H]3CCC[N@H+](CC(=O)N4[C@@H](C)CCC[C@@H]4C)C3)c(=O)c12 ZINC000251996483 569208144 /nfs/dbraw/zinc/20/81/44/569208144.db2.gz KVIFAHCOEATTHL-XYJFISCASA-N 1 2 430.618 3.755 40 0 IHABLO CCc1c(C)sc2ncn([C@@H]3CCC[N@@H+](CC(=O)N4[C@@H](C)CCC[C@@H]4C)C3)c(=O)c12 ZINC000251996483 569208145 /nfs/dbraw/zinc/20/81/45/569208145.db2.gz KVIFAHCOEATTHL-XYJFISCASA-N 1 2 430.618 3.755 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CCO1 ZINC000019703321 569233018 /nfs/dbraw/zinc/23/30/18/569233018.db2.gz LBLQZKICVLKTEX-IBGZPJMESA-N 1 2 437.565 3.943 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)CCO1 ZINC000019703321 569233019 /nfs/dbraw/zinc/23/30/19/569233019.db2.gz LBLQZKICVLKTEX-IBGZPJMESA-N 1 2 437.565 3.943 40 0 IHABLO CCOc1ccc([C@@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1OCC ZINC000095534565 569374606 /nfs/dbraw/zinc/37/46/06/569374606.db2.gz ODNQHWVWNFUKTP-QGZVFWFLSA-N 1 2 433.306 3.785 40 0 IHABLO COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1OC ZINC000329025637 569583621 /nfs/dbraw/zinc/58/36/21/569583621.db2.gz PHBQZWAKXWQCFC-HXUWFJFHSA-N 1 2 436.512 4.111 40 0 IHABLO Cc1cccc(N2CC[NH+]([C@@H](c3nnnn3Cc3ccc4c(c3)OCO4)C(C)C)CC2)c1C ZINC000013505141 132348737 /nfs/dbraw/zinc/34/87/37/132348737.db2.gz PJMWAIVMSMXKFD-XMMPIXPASA-N 1 2 448.571 3.586 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012712798 521284226 /nfs/dbraw/zinc/28/42/26/521284226.db2.gz URTITZWENUOLET-IIBYNOLFSA-N 1 2 438.576 3.880 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012712798 521284232 /nfs/dbraw/zinc/28/42/32/521284232.db2.gz URTITZWENUOLET-IIBYNOLFSA-N 1 2 438.576 3.880 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000012637558 524974205 /nfs/dbraw/zinc/97/42/05/524974205.db2.gz IYAMYDGJJLKJQR-UUOWRZLLSA-N 1 2 442.567 3.887 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3CCc3ccccc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000012637558 524974211 /nfs/dbraw/zinc/97/42/11/524974211.db2.gz IYAMYDGJJLKJQR-UUOWRZLLSA-N 1 2 442.567 3.887 40 0 IHABLO COc1ccc([C@@H]2NC3=[NH+]CN(CCC(C)C)CN3c3nc4ccccc4n32)cc1OC ZINC000020638582 525265940 /nfs/dbraw/zinc/26/59/40/525265940.db2.gz BJJOZMKVHZCKKV-JOCHJYFZSA-N 1 2 434.544 3.643 40 0 IHABLO O=C(NCc1ccccc1)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022515561 526738324 /nfs/dbraw/zinc/73/83/24/526738324.db2.gz LAMQCOYZWZEKLF-UHFFFAOYSA-N 1 2 429.520 3.701 40 0 IHABLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1 ZINC000035425270 526946525 /nfs/dbraw/zinc/94/65/25/526946525.db2.gz VFBFKDZAUFXVHS-IBGZPJMESA-N 1 2 425.920 3.959 40 0 biogenic,in-vitro IHABLO Clc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1 ZINC000035425270 526946531 /nfs/dbraw/zinc/94/65/31/526946531.db2.gz VFBFKDZAUFXVHS-IBGZPJMESA-N 1 2 425.920 3.959 40 0 biogenic,in-vitro IHABLO O=C(NCCCn1cc[nH+]c1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000408612171 555977288 /nfs/dbraw/zinc/97/72/88/555977288.db2.gz ULQXZIAPKQWVOI-DEOSSOPVSA-N 1 2 434.565 3.520 40 0 IHABLO O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030753763 556503860 /nfs/dbraw/zinc/50/38/60/556503860.db2.gz ICFBOHBUWSXXPV-UHFFFAOYSA-N 1 2 443.547 3.744 40 0 IHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCOC[C@H](Cc2cccc3ccncc32)C1 ZINC000257288796 556716065 /nfs/dbraw/zinc/71/60/65/556716065.db2.gz PVSKQXMEFMWUHT-HXUWFJFHSA-N 1 2 426.520 3.811 40 0 IHABLO COc1ccc(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc1Br ZINC000019240303 556726288 /nfs/dbraw/zinc/72/62/88/556726288.db2.gz FHPWJFRHUTWNQM-UHFFFAOYSA-N 1 2 434.359 3.596 40 0 IHABLO COc1ccc(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc1Br ZINC000019240303 556726291 /nfs/dbraw/zinc/72/62/91/556726291.db2.gz FHPWJFRHUTWNQM-UHFFFAOYSA-N 1 2 434.359 3.596 40 0 IHABLO O=C(C[C@@H]1C=CCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019292143 556732245 /nfs/dbraw/zinc/73/22/45/556732245.db2.gz OEYKVSHIONPAMC-GOSISDBHSA-N 1 2 449.599 3.798 40 0 IHABLO O=C(C[C@@H]1C=CCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019292143 556732247 /nfs/dbraw/zinc/73/22/47/556732247.db2.gz OEYKVSHIONPAMC-GOSISDBHSA-N 1 2 449.599 3.798 40 0 IHABLO Cc1cc(C(=O)[C@@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)ccc1Cl ZINC000019366132 556746049 /nfs/dbraw/zinc/74/60/49/556746049.db2.gz ZIMMQXHOWGZONK-DHIUTWEWSA-N 1 2 428.960 3.605 40 0 IHABLO O=C(c1ccccc1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019368690 556746638 /nfs/dbraw/zinc/74/66/38/556746638.db2.gz FPWNTGIRGBOMGP-UHFFFAOYSA-N 1 2 445.567 3.755 40 0 IHABLO O=C(c1ccccc1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019368690 556746642 /nfs/dbraw/zinc/74/66/42/556746642.db2.gz FPWNTGIRGBOMGP-UHFFFAOYSA-N 1 2 445.567 3.755 40 0 IHABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)[C@H](C)c1n[nH]c(=O)c2ccccc21 ZINC000019451461 556762080 /nfs/dbraw/zinc/76/20/80/556762080.db2.gz RQOLZHUWCDDPHD-VGOFRKELSA-N 1 2 436.531 3.535 40 0 IHABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)[C@H](C)c1n[nH]c(=O)c2ccccc21 ZINC000019451461 556762081 /nfs/dbraw/zinc/76/20/81/556762081.db2.gz RQOLZHUWCDDPHD-VGOFRKELSA-N 1 2 436.531 3.535 40 0 IHABLO CCCN1CC[N@H+](Cc2nccn2CC)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502954 556774193 /nfs/dbraw/zinc/77/41/93/556774193.db2.gz BFMWWJJUYQUMPU-DEOSSOPVSA-N 1 2 431.584 3.878 40 0 IHABLO CCCN1CC[N@@H+](Cc2nccn2CC)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502954 556774194 /nfs/dbraw/zinc/77/41/94/556774194.db2.gz BFMWWJJUYQUMPU-DEOSSOPVSA-N 1 2 431.584 3.878 40 0 IHABLO COC(=O)c1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2C)cc1 ZINC000001346322 556779565 /nfs/dbraw/zinc/77/95/65/556779565.db2.gz HAAXKMXTNQINKI-UHFFFAOYSA-N 1 2 433.493 3.641 40 0 IHABLO COc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3nccs3)CC2)c(OC)c1 ZINC000019552430 556796227 /nfs/dbraw/zinc/79/62/27/556796227.db2.gz XWLVDNYOFQVPBX-QFIPXVFZSA-N 1 2 443.544 3.703 40 0 IHABLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c(OC)c1OC ZINC000019552772 556796472 /nfs/dbraw/zinc/79/64/72/556796472.db2.gz LFEGLICVOBXTLC-IBGZPJMESA-N 1 2 436.512 3.997 40 0 IHABLO COc1ccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c(OC)c1OC ZINC000019552772 556796474 /nfs/dbraw/zinc/79/64/74/556796474.db2.gz LFEGLICVOBXTLC-IBGZPJMESA-N 1 2 436.512 3.997 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)[NH+]3CCC(C)CC3)cc2c1 ZINC000001382495 556797283 /nfs/dbraw/zinc/79/72/83/556797283.db2.gz OQMAZSGMQHMZGS-JOCHJYFZSA-N 1 2 432.528 3.540 40 0 IHABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4cn(C)cn4)C3)c2)cc1 ZINC000019570337 556810507 /nfs/dbraw/zinc/81/05/07/556810507.db2.gz IRSYDHHRWUJQHB-GOSISDBHSA-N 1 2 433.512 3.894 40 0 IHABLO COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)[NH+]2CCC(C)CC2)cc1OC ZINC000004847698 556823666 /nfs/dbraw/zinc/82/36/66/556823666.db2.gz DBTBBNITJDQELK-JOCHJYFZSA-N 1 2 425.508 3.699 40 0 IHABLO COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)[NH+]2CCC(C)CC2)cc1OC ZINC000004847697 556823700 /nfs/dbraw/zinc/82/37/00/556823700.db2.gz DBTBBNITJDQELK-QFIPXVFZSA-N 1 2 425.508 3.699 40 0 IHABLO Cc1cc(C)c2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000006301948 556832722 /nfs/dbraw/zinc/83/27/22/556832722.db2.gz NLZOKZCBACRRGD-HSZRJFAPSA-N 1 2 428.540 3.755 40 0 IHABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006409906 556835171 /nfs/dbraw/zinc/83/51/71/556835171.db2.gz BBHSVBQULDBONY-QHCPKHFHSA-N 1 2 446.530 3.832 40 0 IHABLO COCc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1c1ccc(-c2ccc(N)[nH+]c2)cn1 ZINC000019688665 556843365 /nfs/dbraw/zinc/84/33/65/556843365.db2.gz DYYFFBITECYSPN-OAQYLSRUSA-N 1 2 442.523 3.586 40 0 IHABLO CN(C)c1cc([C@@H]2CC(=O)N(C)C2)nc(C[N@H+](C)Cc2cccc(-c3cccc(F)c3)c2)n1 ZINC000019700941 556860603 /nfs/dbraw/zinc/86/06/03/556860603.db2.gz IPJOXSLICOCKCX-OAQYLSRUSA-N 1 2 447.558 3.926 40 0 IHABLO CN(C)c1cc([C@@H]2CC(=O)N(C)C2)nc(C[N@@H+](C)Cc2cccc(-c3cccc(F)c3)c2)n1 ZINC000019700941 556860605 /nfs/dbraw/zinc/86/06/05/556860605.db2.gz IPJOXSLICOCKCX-OAQYLSRUSA-N 1 2 447.558 3.926 40 0 IHABLO Cc1c(C[N@@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cnn1C ZINC000019740622 556881147 /nfs/dbraw/zinc/88/11/47/556881147.db2.gz HIWOMBJJZHNXNY-JOCHJYFZSA-N 1 2 430.556 3.643 40 0 IHABLO Cc1c(C[N@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cnn1C ZINC000019740622 556881151 /nfs/dbraw/zinc/88/11/51/556881151.db2.gz HIWOMBJJZHNXNY-JOCHJYFZSA-N 1 2 430.556 3.643 40 0 IHABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 ZINC000019740643 556881248 /nfs/dbraw/zinc/88/12/48/556881248.db2.gz IYJFCLCKXNEDNJ-JOCHJYFZSA-N 1 2 448.546 3.783 40 0 IHABLO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 ZINC000019740643 556881251 /nfs/dbraw/zinc/88/12/51/556881251.db2.gz IYJFCLCKXNEDNJ-JOCHJYFZSA-N 1 2 448.546 3.783 40 0 IHABLO Cc1nc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019741661 556884576 /nfs/dbraw/zinc/88/45/76/556884576.db2.gz DBXQKUJJZXVTQP-GOSISDBHSA-N 1 2 434.519 3.506 40 0 IHABLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019741661 556884579 /nfs/dbraw/zinc/88/45/79/556884579.db2.gz DBXQKUJJZXVTQP-GOSISDBHSA-N 1 2 434.519 3.506 40 0 IHABLO Cc1nc([C@@H]2CCCN(Cc3[nH]cc[nH+]3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019741661 556884581 /nfs/dbraw/zinc/88/45/81/556884581.db2.gz DBXQKUJJZXVTQP-GOSISDBHSA-N 1 2 434.519 3.506 40 0 IHABLO Cc1nc(C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764187 556908739 /nfs/dbraw/zinc/90/87/39/556908739.db2.gz DTZHEXSHYRRENK-UHFFFAOYSA-N 1 2 447.514 3.995 40 0 IHABLO CCc1c(C)sc2ncn([C@@H]3CCC[N@H+](CC(=O)N4[C@H](C)CCC[C@@H]4C)C3)c(=O)c12 ZINC000072347732 556918944 /nfs/dbraw/zinc/91/89/44/556918944.db2.gz KVIFAHCOEATTHL-SOLBZPMBSA-N 1 2 430.618 3.755 40 0 IHABLO CCc1c(C)sc2ncn([C@@H]3CCC[N@@H+](CC(=O)N4[C@H](C)CCC[C@@H]4C)C3)c(=O)c12 ZINC000072347732 556918947 /nfs/dbraw/zinc/91/89/47/556918947.db2.gz KVIFAHCOEATTHL-SOLBZPMBSA-N 1 2 430.618 3.755 40 0 IHABLO OCCC[NH2+][C@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 ZINC000072396325 556969291 /nfs/dbraw/zinc/96/92/91/556969291.db2.gz RWJGXKFBYKMTMW-HXUWFJFHSA-N 1 2 434.500 3.525 40 0 IHABLO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)CC1 ZINC000409410647 557103899 /nfs/dbraw/zinc/10/38/99/557103899.db2.gz ZBWLZDXFBOTXLV-UHFFFAOYSA-N 1 2 435.977 3.535 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006196920 557149326 /nfs/dbraw/zinc/14/93/26/557149326.db2.gz WDWNYOOBIRINEQ-JOCHJYFZSA-N 1 2 436.560 3.850 40 0 IHABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](CCc5ccccc5)CC4)[nH]n3c(=O)c2C1 ZINC000100243054 557254964 /nfs/dbraw/zinc/25/49/64/557254964.db2.gz HWAMZZPMWCZIJP-UHFFFAOYSA-N 1 2 447.583 3.542 40 0 IHABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064686 557279229 /nfs/dbraw/zinc/27/92/29/557279229.db2.gz UHYTWNATQRIWMK-OAQYLSRUSA-N 1 2 440.592 3.612 40 0 IHABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064686 557279232 /nfs/dbraw/zinc/27/92/32/557279232.db2.gz UHYTWNATQRIWMK-OAQYLSRUSA-N 1 2 440.592 3.612 40 0 IHABLO Cc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2Br)CC1 ZINC000013562881 557353177 /nfs/dbraw/zinc/35/31/77/557353177.db2.gz NNMGRGCGXXURAR-UHFFFAOYSA-N 1 2 430.346 3.590 40 0 IHABLO CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000224107871 557562183 /nfs/dbraw/zinc/56/21/83/557562183.db2.gz FTSPOHABABPHAF-UHFFFAOYSA-N 1 2 446.532 3.627 40 0 IHABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000015675000 560095095 /nfs/dbraw/zinc/09/50/95/560095095.db2.gz AKRNTWHQWYDBEE-CVEARBPZSA-N 1 2 433.386 3.792 40 0 biogenic,in-vitro IHABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000015675000 560095097 /nfs/dbraw/zinc/09/50/97/560095097.db2.gz AKRNTWHQWYDBEE-CVEARBPZSA-N 1 2 433.386 3.792 40 0 biogenic,in-vitro IHABLO CNc1cc([C@H]2CCCN2C(=O)C2(C)CCN(C(=O)Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000257199857 568665017 /nfs/dbraw/zinc/66/50/17/568665017.db2.gz ABBCSDZIXVCCRZ-OAQYLSRUSA-N 1 2 438.547 3.797 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCC[N@@H+]3Cc3ccncc3)nn2c1C ZINC000257211410 568670455 /nfs/dbraw/zinc/67/04/55/568670455.db2.gz BYTWOTQYLPPPII-HSZRJFAPSA-N 1 2 434.588 3.927 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCC[N@H+]3Cc3ccncc3)nn2c1C ZINC000257211410 568670459 /nfs/dbraw/zinc/67/04/59/568670459.db2.gz BYTWOTQYLPPPII-HSZRJFAPSA-N 1 2 434.588 3.927 40 0 IHABLO Cc1[nH]c2ccc(NC(=O)C[C@@H]3CCCN(C(=O)c4cn5cc(C)ccc5n4)C3)cc2[nH+]1 ZINC000257243798 568685537 /nfs/dbraw/zinc/68/55/37/568685537.db2.gz IIOXMPOQNRVXDH-KRWDZBQOSA-N 1 2 430.512 3.708 40 0 IHABLO CNc1cc([C@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCN(C(C)=O)CC2)cc[nH+]1 ZINC000257247056 568686929 /nfs/dbraw/zinc/68/69/29/568686929.db2.gz IXFBCFCSUBEPHN-JOCHJYFZSA-N 1 2 438.547 3.797 40 0 IHABLO COc1ccc(CNc2cc(-c3cnc(N(C)C)nc3[C@@H]3CCN(C(C)=O)C3)cc[nH+]2)cc1 ZINC000257261068 568693573 /nfs/dbraw/zinc/69/35/73/568693573.db2.gz LFPFVTKMSJYYMV-HXUWFJFHSA-N 1 2 446.555 3.561 40 0 IHABLO CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(C[NH+]5CCOCC5)c4)OCC[C@@]31C2 ZINC000257260805 568693656 /nfs/dbraw/zinc/69/36/56/568693656.db2.gz LELKAZUHWYAGNC-IRAZMCGKSA-N 1 2 426.601 3.927 40 0 IHABLO COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)C[N@H+](C)Cc3ccccn3)C2)o1 ZINC000257266536 568696170 /nfs/dbraw/zinc/69/61/70/568696170.db2.gz MDKKMFGIXCDYMW-FQEVSTJZSA-N 1 2 434.540 3.507 40 0 IHABLO COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)C[N@@H+](C)Cc3ccccn3)C2)o1 ZINC000257266536 568696171 /nfs/dbraw/zinc/69/61/71/568696171.db2.gz MDKKMFGIXCDYMW-FQEVSTJZSA-N 1 2 434.540 3.507 40 0 IHABLO COc1ccc(-c2cncc([C@H]3C[N@H+](Cc4c(C)nc5cc(C)ccn54)CCO3)n2)cc1 ZINC000257287955 568705813 /nfs/dbraw/zinc/70/58/13/568705813.db2.gz PSEUPHMKJNSFIN-XMMPIXPASA-N 1 2 429.524 3.990 40 0 IHABLO COc1ccc(-c2cncc([C@H]3C[N@@H+](Cc4c(C)nc5cc(C)ccn54)CCO3)n2)cc1 ZINC000257287955 568705816 /nfs/dbraw/zinc/70/58/16/568705816.db2.gz PSEUPHMKJNSFIN-XMMPIXPASA-N 1 2 429.524 3.990 40 0 IHABLO COc1ccc(-c2cncc([C@H]3CN(Cc4c(C)[nH+]c5cc(C)ccn54)CCO3)n2)cc1 ZINC000257287955 568705820 /nfs/dbraw/zinc/70/58/20/568705820.db2.gz PSEUPHMKJNSFIN-XMMPIXPASA-N 1 2 429.524 3.990 40 0 IHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)COCc2nc3ccccc3n2C)n1 ZINC000257305740 568713882 /nfs/dbraw/zinc/71/38/82/568713882.db2.gz SRHJYJLIXTVSHE-NRFANRHFSA-N 1 2 444.539 3.597 40 0 IHABLO Cc1cc(Nc2nncs2)cc([C@@H]2CN(C(=O)CCOc3ccccc3C)CCO2)[nH+]1 ZINC000257338230 568728047 /nfs/dbraw/zinc/72/80/47/568728047.db2.gz YWMWQLZGDBFHBA-FQEVSTJZSA-N 1 2 439.541 3.663 40 0 IHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(SC)cc1 ZINC000261366040 568733911 /nfs/dbraw/zinc/73/39/11/568733911.db2.gz XBFNAGZQEACQAH-HXUWFJFHSA-O 1 2 425.559 3.884 40 0 IHABLO Cc1nc2c(n1CC1CC1)C[N@H+](Cc1cccc(C)n1)CC21CCN(c2ncccn2)CC1 ZINC000306137379 568769879 /nfs/dbraw/zinc/76/98/79/568769879.db2.gz QUWQAMDKOXCKSB-UHFFFAOYSA-N 1 2 443.599 3.649 40 0 IHABLO Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1cccc(C)n1)CC21CCN(c2ncccn2)CC1 ZINC000306137379 568769882 /nfs/dbraw/zinc/76/98/82/568769882.db2.gz QUWQAMDKOXCKSB-UHFFFAOYSA-N 1 2 443.599 3.649 40 0 IHABLO COc1cc(OC)c(NC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc1Cl ZINC000224144454 568907115 /nfs/dbraw/zinc/90/71/15/568907115.db2.gz ZVXKUUYDZHRDPR-UHFFFAOYSA-N 1 2 434.928 3.848 40 0 IHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1ccc(O)cc1 ZINC000261365452 569315885 /nfs/dbraw/zinc/31/58/85/569315885.db2.gz SJMYJCOVQNRQMR-MRXNPFEDSA-O 1 2 432.323 3.689 40 0 IHABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)[nH+]1 ZINC000328964606 569583300 /nfs/dbraw/zinc/58/33/00/569583300.db2.gz BXCXXXMQDVMGNL-LJQANCHMSA-N 1 2 442.361 4.342 40 0 IHABLO C[N@@H+]1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464059 524012412 /nfs/dbraw/zinc/01/24/12/524012412.db2.gz QVXSXFUPCSEWNA-RDJZCZTQSA-N 1 2 432.402 3.810 40 0 biogenic,in-vitro IHABLO C[N@H+]1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464059 524012416 /nfs/dbraw/zinc/01/24/16/524012416.db2.gz QVXSXFUPCSEWNA-RDJZCZTQSA-N 1 2 432.402 3.810 40 0 biogenic,in-vitro IHABLO Cc1cc(OCC[NH+]2CCOCC2)c(C)c2c1CC[C@@H]([C@H](C)C(=O)Nc1ccccn1)C2 ZINC000020504637 525371170 /nfs/dbraw/zinc/37/11/70/525371170.db2.gz IXROISZEMQBGIM-PZJWPPBQSA-N 1 2 437.584 3.789 40 0 biogenic,in-vitro IHABLO COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4[nH+]c5ccccc5n4C)C3)c2c1 ZINC000012116452 525493093 /nfs/dbraw/zinc/49/30/93/525493093.db2.gz LOBINIGLGZMSOM-GOSISDBHSA-N 1 2 431.540 3.639 40 0 IHABLO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)NC(c1ccccc1)c1ccccc1 ZINC000012183494 526732839 /nfs/dbraw/zinc/73/28/39/526732839.db2.gz JUZYVVLNYOSWOS-UHFFFAOYSA-N 1 2 441.531 3.507 40 0 IHABLO O=C(NCc1ccccc1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1cccc(OC(F)(F)F)c1 ZINC000012530184 526736302 /nfs/dbraw/zinc/73/63/02/526736302.db2.gz DIRUBBOXLOHBLA-FQEVSTJZSA-N 1 2 430.430 3.552 40 0 biogenic,in-vitro IHABLO O=C(NCc1ccccc1)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1cccc(OC(F)(F)F)c1 ZINC000012530184 526736307 /nfs/dbraw/zinc/73/63/07/526736307.db2.gz DIRUBBOXLOHBLA-FQEVSTJZSA-N 1 2 430.430 3.552 40 0 biogenic,in-vitro IHABLO Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000030849484 556508437 /nfs/dbraw/zinc/50/84/37/556508437.db2.gz MSYYEZGXPVDXEC-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO O=c1c2ccccc2nc(CSC2=[NH+][C@@H]3C=Cc4nsnc4[C@H]3N2)n1-c1ccccc1 ZINC000016523711 556613785 /nfs/dbraw/zinc/61/37/85/556613785.db2.gz BUXPXDMKAZUHKZ-APWZRJJASA-N 1 2 444.545 3.566 40 0 IHABLO O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000044841409 556668664 /nfs/dbraw/zinc/66/86/64/556668664.db2.gz UJMRBYNFHDBMDF-UHFFFAOYSA-N 1 2 446.532 3.631 40 0 IHABLO Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@H](C)[NH+]4CCOCC4)C3)c(-c3ccncc3)c2c1 ZINC000019220145 556714495 /nfs/dbraw/zinc/71/44/95/556714495.db2.gz YASMEVCIGUFZJB-FPOVZHCZSA-N 1 2 432.568 3.965 40 0 IHABLO O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000019373523 556750392 /nfs/dbraw/zinc/75/03/92/556750392.db2.gz ZCRXHEYDJIDEHO-UHFFFAOYSA-N 1 2 439.519 3.529 40 0 IHABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000001346628 556780014 /nfs/dbraw/zinc/78/00/14/556780014.db2.gz AJMZQFZMRAAGQT-UHFFFAOYSA-N 1 2 434.525 3.621 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)cc2c1 ZINC000006282687 556831368 /nfs/dbraw/zinc/83/13/68/556831368.db2.gz WASRNPBDWRWJTH-JOCHJYFZSA-N 1 2 436.560 3.994 40 0 IHABLO Cc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000006321367 556833005 /nfs/dbraw/zinc/83/30/05/556833005.db2.gz LTFVGZLXJPISAK-HSZRJFAPSA-N 1 2 446.530 3.894 40 0 IHABLO CN(C)c1nc([C@H]2CCCCN2C(=O)CCc2cccc(Cl)c2)nc2c1C[N@H+](C)CC2 ZINC000019710271 556872104 /nfs/dbraw/zinc/87/21/04/556872104.db2.gz ISTCTOVMWTZRFR-OAQYLSRUSA-N 1 2 442.007 3.870 40 0 IHABLO CN(C)c1nc([C@H]2CCCCN2C(=O)CCc2cccc(Cl)c2)nc2c1C[N@@H+](C)CC2 ZINC000019710271 556872106 /nfs/dbraw/zinc/87/21/06/556872106.db2.gz ISTCTOVMWTZRFR-OAQYLSRUSA-N 1 2 442.007 3.870 40 0 IHABLO CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1C[N@H+](Cc1ccc3ncccc3c1)CC2 ZINC000019710380 556872726 /nfs/dbraw/zinc/87/27/26/556872726.db2.gz RSMBKBXUCLYVDI-HSZRJFAPSA-N 1 2 430.556 3.698 40 0 IHABLO CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1C[N@@H+](Cc1ccc3ncccc3c1)CC2 ZINC000019710380 556872729 /nfs/dbraw/zinc/87/27/29/556872729.db2.gz RSMBKBXUCLYVDI-HSZRJFAPSA-N 1 2 430.556 3.698 40 0 IHABLO Cc1c(C[N@@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccc(C)cc2)C(=O)CC3)cnn1C ZINC000019740630 556881237 /nfs/dbraw/zinc/88/12/37/556881237.db2.gz OVMPCLXUYJEQTA-HSZRJFAPSA-N 1 2 444.583 3.952 40 0 IHABLO Cc1c(C[N@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccc(C)cc2)C(=O)CC3)cnn1C ZINC000019740630 556881241 /nfs/dbraw/zinc/88/12/41/556881241.db2.gz OVMPCLXUYJEQTA-HSZRJFAPSA-N 1 2 444.583 3.952 40 0 IHABLO Cc1nc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019741646 556884250 /nfs/dbraw/zinc/88/42/50/556884250.db2.gz TWCWAFCRWSZYAT-GOSISDBHSA-N 1 2 434.519 3.506 40 0 IHABLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019741646 556884254 /nfs/dbraw/zinc/88/42/54/556884254.db2.gz TWCWAFCRWSZYAT-GOSISDBHSA-N 1 2 434.519 3.506 40 0 IHABLO Cc1nc([C@@H]2CCCN(Cc3[nH]cc[nH+]3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019741646 556884256 /nfs/dbraw/zinc/88/42/56/556884256.db2.gz TWCWAFCRWSZYAT-GOSISDBHSA-N 1 2 434.519 3.506 40 0 IHABLO COc1ccc([C@H]2NC3=[NH+]CN(C4CCCCC4)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000019960406 556955320 /nfs/dbraw/zinc/95/53/20/556955320.db2.gz LFVHQLXKAGUIJU-QHCPKHFHSA-N 1 2 446.555 3.929 40 0 IHABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)CCc5ccccc5)CC4)[nH]n3c(=O)c2C1 ZINC000072389799 556959919 /nfs/dbraw/zinc/95/99/19/556959919.db2.gz OSFYTPPUEBCTOG-UHFFFAOYSA-N 1 2 447.583 3.540 40 0 IHABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)CCc5ccccc5)CC4)[nH]n3c(=O)c2C1 ZINC000072389799 556959923 /nfs/dbraw/zinc/95/99/23/556959923.db2.gz OSFYTPPUEBCTOG-UHFFFAOYSA-N 1 2 447.583 3.540 40 0 IHABLO CN(c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000216332071 557143335 /nfs/dbraw/zinc/14/33/35/557143335.db2.gz JMCIIKIZAHODRI-UHFFFAOYSA-N 1 2 446.532 3.627 40 0 IHABLO CCCN(CCOC)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2Cc1cccc(OC)c1 ZINC000096143963 557171263 /nfs/dbraw/zinc/17/12/63/557171263.db2.gz CSBJNEYONGOKBK-AHWVRZQESA-N 1 2 438.568 3.580 40 0 IHABLO CCCN(CCOC)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2Cc1cccc(OC)c1 ZINC000096143963 557171267 /nfs/dbraw/zinc/17/12/67/557171267.db2.gz CSBJNEYONGOKBK-AHWVRZQESA-N 1 2 438.568 3.580 40 0 IHABLO CCCN(CCOC)C(=O)[C@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2Cc1cccc(OC)c1 ZINC000096143964 557171445 /nfs/dbraw/zinc/17/14/45/557171445.db2.gz CSBJNEYONGOKBK-RSXGOPAZSA-N 1 2 438.568 3.580 40 0 IHABLO CCCN(CCOC)C(=O)[C@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2Cc1cccc(OC)c1 ZINC000096143964 557171448 /nfs/dbraw/zinc/17/14/48/557171448.db2.gz CSBJNEYONGOKBK-RSXGOPAZSA-N 1 2 438.568 3.580 40 0 IHABLO COc1cccc(C(=O)N2CCC3(CC2)c2ncc(-c4cccc(F)c4)n2CC[N@H+]3C)c1 ZINC000096144946 557173791 /nfs/dbraw/zinc/17/37/91/557173791.db2.gz GQZCIVJTMHCBEA-UHFFFAOYSA-N 1 2 434.515 3.775 40 0 IHABLO COc1cccc(C(=O)N2CCC3(CC2)c2ncc(-c4cccc(F)c4)n2CC[N@@H+]3C)c1 ZINC000096144946 557173794 /nfs/dbraw/zinc/17/37/94/557173794.db2.gz GQZCIVJTMHCBEA-UHFFFAOYSA-N 1 2 434.515 3.775 40 0 IHABLO C[C@@]1(O)CC[N@H+](Cc2ccncc2F)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000604383071 557237368 /nfs/dbraw/zinc/23/73/68/557237368.db2.gz DHWOKRBYMSVEGP-QNWVGRARSA-N 1 2 425.529 3.779 40 0 biogenic,in-vitro IHABLO C[C@@]1(O)CC[N@@H+](Cc2ccncc2F)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000604383071 557237373 /nfs/dbraw/zinc/23/73/73/557237373.db2.gz DHWOKRBYMSVEGP-QNWVGRARSA-N 1 2 425.529 3.779 40 0 biogenic,in-vitro IHABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3Cc3ccc4c(c3)OCO4)C(C)C)CC2)c1 ZINC000057671404 557257166 /nfs/dbraw/zinc/25/71/66/557257166.db2.gz IZDFYKYACLKDNR-DEOSSOPVSA-N 1 2 448.571 3.586 40 0 IHABLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc4ccccc43)c2)CC1 ZINC000220010244 557277057 /nfs/dbraw/zinc/27/70/57/557277057.db2.gz UHLDZNFOSSGUIO-UHFFFAOYSA-N 1 2 443.956 3.682 40 0 IHABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495982 557326011 /nfs/dbraw/zinc/32/60/11/557326011.db2.gz VBDFWZNXAGJOHI-NRFANRHFSA-N 1 2 438.576 3.664 40 0 IHABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495982 557326014 /nfs/dbraw/zinc/32/60/14/557326014.db2.gz VBDFWZNXAGJOHI-NRFANRHFSA-N 1 2 438.576 3.664 40 0 IHABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495991 557326148 /nfs/dbraw/zinc/32/61/48/557326148.db2.gz GEHWBXNMYZGEIM-JOCHJYFZSA-N 1 2 438.576 3.664 40 0 IHABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495991 557326150 /nfs/dbraw/zinc/32/61/50/557326150.db2.gz GEHWBXNMYZGEIM-JOCHJYFZSA-N 1 2 438.576 3.664 40 0 IHABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499505 557328645 /nfs/dbraw/zinc/32/86/45/557328645.db2.gz WMUHLPBDSZSKGO-OAQYLSRUSA-N 1 2 440.592 3.612 40 0 IHABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499505 557328647 /nfs/dbraw/zinc/32/86/47/557328647.db2.gz WMUHLPBDSZSKGO-OAQYLSRUSA-N 1 2 440.592 3.612 40 0 IHABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C1CC1 ZINC000223174439 557441564 /nfs/dbraw/zinc/44/15/64/557441564.db2.gz CKIMAFZHCHAHPC-GOTSBHOMSA-N 1 2 439.629 3.530 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1CCC[NH+]1CCOCC1 ZINC000223193350 557444158 /nfs/dbraw/zinc/44/41/58/557444158.db2.gz XMFFNYBQTFQLSM-DNQXCXABSA-N 1 2 447.608 3.567 40 0 IHABLO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000225391540 557717837 /nfs/dbraw/zinc/71/78/37/557717837.db2.gz KWLLDTIFSGDGDO-HAHDFKILSA-N 1 2 442.475 3.561 40 0 IHABLO COCCC(=O)N[C@]1(C)C[C@H](c2cccc(C[NH+]3CCOCC3)c2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257213565 568671319 /nfs/dbraw/zinc/67/13/19/568671319.db2.gz CICSSJKNQNZFLI-YUKXHEHUSA-N 1 2 444.616 3.696 40 0 IHABLO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000257219097 568674163 /nfs/dbraw/zinc/67/41/63/568674163.db2.gz DFOGKXWOGYDTBR-UPVQGACJSA-N 1 2 430.520 3.847 40 0 IHABLO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000257219097 568674167 /nfs/dbraw/zinc/67/41/67/568674167.db2.gz DFOGKXWOGYDTBR-UPVQGACJSA-N 1 2 430.520 3.847 40 0 IHABLO Cc1cc(Nc2cc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)[nH+]c(N)n2)n[nH]1 ZINC000257260835 568693471 /nfs/dbraw/zinc/69/34/71/568693471.db2.gz LEPQYESUMCFSHY-UHFFFAOYSA-N 1 2 443.914 3.721 40 0 IHABLO COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)C[N@H+](C)Cc3ccccn3)C2)o1 ZINC000257266537 568696233 /nfs/dbraw/zinc/69/62/33/568696233.db2.gz MDKKMFGIXCDYMW-HXUWFJFHSA-N 1 2 434.540 3.507 40 0 IHABLO COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)C[N@@H+](C)Cc3ccccn3)C2)o1 ZINC000257266537 568696234 /nfs/dbraw/zinc/69/62/34/568696234.db2.gz MDKKMFGIXCDYMW-HXUWFJFHSA-N 1 2 434.540 3.507 40 0 IHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CCNc2ncnc3ccccc32)n1 ZINC000257283255 568703525 /nfs/dbraw/zinc/70/35/25/568703525.db2.gz OXLZYWIFAPHEEC-OAQYLSRUSA-N 1 2 441.539 3.939 40 0 IHABLO CCc1nnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4scnc4C)CCO3)c2)s1 ZINC000257321662 568720779 /nfs/dbraw/zinc/72/07/79/568720779.db2.gz WCQGAJSGMLPCKU-HNNXBMFYSA-N 1 2 430.559 3.526 40 0 IHABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)CCn4cc[nH+]c4)CC3)CO[C@H]21 ZINC000257325723 568722686 /nfs/dbraw/zinc/72/26/86/568722686.db2.gz WUDMPSTYLZGBIC-SIKLNZKXSA-N 1 2 439.556 3.839 40 0 IHABLO CCCOc1ccccc1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]21 ZINC000261363606 568733059 /nfs/dbraw/zinc/73/30/59/568733059.db2.gz UCAJFYBGHLAVAA-JOCHJYFZSA-O 1 2 437.545 3.951 40 0 IHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(Br)cc1 ZINC000261362051 568733277 /nfs/dbraw/zinc/73/32/77/568733277.db2.gz BXKBYCAIWWNRRA-GOSISDBHSA-O 1 2 444.334 3.535 40 0 IHABLO Fc1cccc(CN2CC[N@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCOCC4)n3)C2)c1 ZINC000306132234 568767135 /nfs/dbraw/zinc/76/71/35/568767135.db2.gz LCJBDDJSNSBFQB-XMMPIXPASA-N 1 2 449.574 3.579 40 0 IHABLO Fc1cccc(CN2CC[N@@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCOCC4)n3)C2)c1 ZINC000306132234 568767137 /nfs/dbraw/zinc/76/71/37/568767137.db2.gz LCJBDDJSNSBFQB-XMMPIXPASA-N 1 2 449.574 3.579 40 0 IHABLO COc1ccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccc(OC)cc5)ccc34)C2)cc1 ZINC000306135475 568769028 /nfs/dbraw/zinc/76/90/28/568769028.db2.gz OSANOHKVVPIIJD-DEOSSOPVSA-N 1 2 430.508 3.987 40 0 IHABLO COc1ccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccc(OC)cc5)ccc34)C2)cc1 ZINC000306135475 568769029 /nfs/dbraw/zinc/76/90/29/568769029.db2.gz OSANOHKVVPIIJD-DEOSSOPVSA-N 1 2 430.508 3.987 40 0 IHABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccc(OC)cc5)ccc34)C2)cc1 ZINC000306135476 568769054 /nfs/dbraw/zinc/76/90/54/568769054.db2.gz OSANOHKVVPIIJD-XMMPIXPASA-N 1 2 430.508 3.987 40 0 IHABLO COc1ccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccc(OC)cc5)ccc34)C2)cc1 ZINC000306135476 568769055 /nfs/dbraw/zinc/76/90/55/568769055.db2.gz OSANOHKVVPIIJD-XMMPIXPASA-N 1 2 430.508 3.987 40 0 IHABLO CC(C)c1nc2c(s1)C[N@H+](Cc1ccc(F)cc1)CC21CCN(S(C)(=O)=O)CC1 ZINC000306141411 568772202 /nfs/dbraw/zinc/77/22/02/568772202.db2.gz VVBVDQPCAISSST-UHFFFAOYSA-N 1 2 437.606 3.715 40 0 IHABLO CC(C)c1nc2c(s1)C[N@@H+](Cc1ccc(F)cc1)CC21CCN(S(C)(=O)=O)CC1 ZINC000306141411 568772203 /nfs/dbraw/zinc/77/22/03/568772203.db2.gz VVBVDQPCAISSST-UHFFFAOYSA-N 1 2 437.606 3.715 40 0 IHABLO Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCCO)n2)c1 ZINC000328974867 568808097 /nfs/dbraw/zinc/80/80/97/568808097.db2.gz FHHHDKKMRDOVKB-UHFFFAOYSA-N 1 2 432.446 3.601 40 0 IHABLO Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329007677 568808984 /nfs/dbraw/zinc/80/89/84/568808984.db2.gz LMOLWRDAZXGXFB-OAHLLOKOSA-N 1 2 427.346 3.903 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006409362 568904652 /nfs/dbraw/zinc/90/46/52/568904652.db2.gz CRTGYUWGNJSQHR-FDDCHVKYSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006409362 568904654 /nfs/dbraw/zinc/90/46/54/568904654.db2.gz CRTGYUWGNJSQHR-FDDCHVKYSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703242 569232864 /nfs/dbraw/zinc/23/28/64/569232864.db2.gz YDKFDQIAQOHVRA-FQEVSTJZSA-N 1 2 437.565 3.651 40 0 IHABLO Cc1ccccc1C[N@H+]1CCO[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703242 569232865 /nfs/dbraw/zinc/23/28/65/569232865.db2.gz YDKFDQIAQOHVRA-FQEVSTJZSA-N 1 2 437.565 3.651 40 0 IHABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000019703198 569232910 /nfs/dbraw/zinc/23/29/10/569232910.db2.gz CNEUJQKPRVATJC-IBGZPJMESA-N 1 2 447.564 3.962 40 0 IHABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000019703198 569232911 /nfs/dbraw/zinc/23/29/11/569232911.db2.gz CNEUJQKPRVATJC-IBGZPJMESA-N 1 2 447.564 3.962 40 0 IHABLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)noc1C ZINC000019764660 569238451 /nfs/dbraw/zinc/23/84/51/569238451.db2.gz MYMPRJPCZYMUAT-QFIPXVFZSA-N 1 2 449.555 3.815 40 0 IHABLO COc1ccc(C[N@H+]2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)noc1C ZINC000019764660 569238452 /nfs/dbraw/zinc/23/84/52/569238452.db2.gz MYMPRJPCZYMUAT-QFIPXVFZSA-N 1 2 449.555 3.815 40 0 IHABLO Cc1nc([C@H]2CCCCN2C(=O)CCn2c3ccccc3[nH+]c2C(C)C)ncc1C(N)=O ZINC000019764543 569238464 /nfs/dbraw/zinc/23/84/64/569238464.db2.gz ZCSHCBUVOFLNHR-HXUWFJFHSA-N 1 2 434.544 3.501 40 0 IHABLO CCn1cc[nH+]c1CN1CCCC[C@@H]1c1ncc(C(=O)NCc2cccc(OC)c2)c(C)n1 ZINC000019764686 569238558 /nfs/dbraw/zinc/23/85/58/569238558.db2.gz GEGNSQVXZRKZMT-JOCHJYFZSA-N 1 2 448.571 3.667 40 0 IHABLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)noc1C ZINC000019764658 569238575 /nfs/dbraw/zinc/23/85/75/569238575.db2.gz MYMPRJPCZYMUAT-JOCHJYFZSA-N 1 2 449.555 3.815 40 0 IHABLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)noc1C ZINC000019764658 569238576 /nfs/dbraw/zinc/23/85/76/569238576.db2.gz MYMPRJPCZYMUAT-JOCHJYFZSA-N 1 2 449.555 3.815 40 0 IHABLO CCOc1ccc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1C ZINC000261366088 569315891 /nfs/dbraw/zinc/31/58/91/569315891.db2.gz XHZRRVITGNYKGR-QFIPXVFZSA-O 1 2 437.545 3.869 40 0 IHABLO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@H+](Cc2ccc(OC)nc2)C3)cc1 ZINC000096111888 291371088 /nfs/dbraw/zinc/37/10/88/291371088.db2.gz CGCXHYNKQWJBKG-GMAHTHKFSA-N 1 2 445.519 3.668 40 0 biogenic,in-vitro IHABLO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](Cc2ccc(OC)nc2)C3)cc1 ZINC000096111888 291371092 /nfs/dbraw/zinc/37/10/92/291371092.db2.gz CGCXHYNKQWJBKG-GMAHTHKFSA-N 1 2 445.519 3.668 40 0 biogenic,in-vitro IHABLO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1 ZINC000049169798 291372278 /nfs/dbraw/zinc/37/22/78/291372278.db2.gz ZKQUGXMCDXZEBS-KRWDZBQOSA-N 1 2 436.537 3.535 40 0 biogenic,in-vitro IHABLO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1 ZINC000049169798 291372280 /nfs/dbraw/zinc/37/22/80/291372280.db2.gz ZKQUGXMCDXZEBS-KRWDZBQOSA-N 1 2 436.537 3.535 40 0 biogenic,in-vitro IHABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)OCO3)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529894 524012515 /nfs/dbraw/zinc/01/25/15/524012515.db2.gz HDBSTLVYRCSDOH-PMACEKPBSA-N 1 2 442.475 3.794 40 0 biogenic,in-vitro IHABLO C[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)OCO3)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529894 524012520 /nfs/dbraw/zinc/01/25/20/524012520.db2.gz HDBSTLVYRCSDOH-PMACEKPBSA-N 1 2 442.475 3.794 40 0 biogenic,in-vitro IHABLO COc1ccc([C@H]2NC3=[NH+]CN(CCC(C)C)CN3c3nc4ccccc4n32)cc1OC ZINC000020638586 525428059 /nfs/dbraw/zinc/42/80/59/525428059.db2.gz BJJOZMKVHZCKKV-QFIPXVFZSA-N 1 2 434.544 3.643 40 0 IHABLO [NH3+]C12C3(Cl)[C@]4(Cl)C5(Cl)[C@@]3(Cl)[C@@]1(Cl)C(Cl)([C@]24Cl)C5(Cl)Cl ZINC000001680135 555709284 /nfs/dbraw/zinc/70/92/84/555709284.db2.gz KCRHNURXNCHJNT-VYAWAXJZSA-N 1 2 443.199 3.769 40 0 IHABLO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030871431 556513733 /nfs/dbraw/zinc/51/37/33/556513733.db2.gz DQLXJYIJGVABFQ-UHFFFAOYSA-N 1 2 433.474 3.500 40 0 IHABLO Cc1noc(C)c1C[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514289396 556625697 /nfs/dbraw/zinc/62/56/97/556625697.db2.gz KAOWTQYELZMOSS-GGAORHGYSA-N 1 2 439.462 3.954 40 0 biogenic,in-vitro IHABLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514289396 556625699 /nfs/dbraw/zinc/62/56/99/556625699.db2.gz KAOWTQYELZMOSS-GGAORHGYSA-N 1 2 439.462 3.954 40 0 biogenic,in-vitro IHABLO CC(C)(C)C(=O)N1CCc2cc(C(=O)C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019081587 556696416 /nfs/dbraw/zinc/69/64/16/556696416.db2.gz RISZTYDSTHNJRY-UHFFFAOYSA-N 1 2 438.543 3.927 40 0 IHABLO COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCCn3cc[nH+]c3)CCCO2)cc1 ZINC000257216786 556702983 /nfs/dbraw/zinc/70/29/83/556702983.db2.gz CWAXMHJATPYXBL-RUZDIDTESA-N 1 2 437.515 3.996 40 0 IHABLO CCOCCCNc1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000057743715 556748670 /nfs/dbraw/zinc/74/86/70/556748670.db2.gz KANPAIFYXXOBSZ-UHFFFAOYSA-N 1 2 433.556 3.944 40 0 IHABLO CCOCCCNc1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000057743715 556748675 /nfs/dbraw/zinc/74/86/75/556748675.db2.gz KANPAIFYXXOBSZ-UHFFFAOYSA-N 1 2 433.556 3.944 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000001382253 556797230 /nfs/dbraw/zinc/79/72/30/556797230.db2.gz AQPZZFCWOIWNHL-XMMPIXPASA-N 1 2 442.567 3.895 40 0 IHABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)cc12 ZINC000006322212 556833279 /nfs/dbraw/zinc/83/32/79/556833279.db2.gz WEKCGRVMDFTRKX-QHCPKHFHSA-N 1 2 428.540 3.755 40 0 IHABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006409930 556835199 /nfs/dbraw/zinc/83/51/99/556835199.db2.gz QGMFDLUNTDCCMF-QHCPKHFHSA-N 1 2 428.540 3.693 40 0 IHABLO Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000019701271 556861349 /nfs/dbraw/zinc/86/13/49/556861349.db2.gz PXJOVTKJPUEKNJ-QFIPXVFZSA-N 1 2 449.505 3.638 40 0 IHABLO Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000019701271 556861350 /nfs/dbraw/zinc/86/13/50/556861350.db2.gz PXJOVTKJPUEKNJ-QFIPXVFZSA-N 1 2 449.505 3.638 40 0 IHABLO Cc1c(C[N@@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)cnn1C ZINC000019740618 556881159 /nfs/dbraw/zinc/88/11/59/556881159.db2.gz JYXFCBUDOMAFSC-JOCHJYFZSA-N 1 2 448.546 3.783 40 0 IHABLO Cc1c(C[N@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)cnn1C ZINC000019740618 556881161 /nfs/dbraw/zinc/88/11/61/556881161.db2.gz JYXFCBUDOMAFSC-JOCHJYFZSA-N 1 2 448.546 3.783 40 0 IHABLO CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(n[nH]c3NCc3ccccc3)n2)CC1 ZINC000072374505 556948216 /nfs/dbraw/zinc/94/82/16/556948216.db2.gz WCBNZFDTVHLYMK-JOCHJYFZSA-N 1 2 432.572 3.965 40 0 IHABLO CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(n[nH]c3NCc3ccccc3)n2)CC1 ZINC000072374505 556948219 /nfs/dbraw/zinc/94/82/19/556948219.db2.gz WCBNZFDTVHLYMK-JOCHJYFZSA-N 1 2 432.572 3.965 40 0 IHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000020150567 556991257 /nfs/dbraw/zinc/99/12/57/556991257.db2.gz OIKYCLFXMWKDDE-UKDJSQQHSA-N 1 2 438.499 3.686 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[NH+]3CCC(C)CC3)cc2c1 ZINC000006149490 557146330 /nfs/dbraw/zinc/14/63/30/557146330.db2.gz XCAVRGRPYAWQSC-NRFANRHFSA-N 1 2 438.576 3.880 40 0 IHABLO CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC[C@H](Cc2cccc3[nH+]ccn32)CC1 ZINC000585261731 557196378 /nfs/dbraw/zinc/19/63/78/557196378.db2.gz AZDPZZGYHGEEEY-NRFANRHFSA-N 1 2 432.568 3.643 40 0 IHABLO COc1cccc(OC)c1C[NH2+][C@H](c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1)C(C)C ZINC000100730059 557272553 /nfs/dbraw/zinc/27/25/53/557272553.db2.gz KVVNFUYAAZRURW-DEOSSOPVSA-N 1 2 440.544 3.833 40 0 IHABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013494495 557325574 /nfs/dbraw/zinc/32/55/74/557325574.db2.gz SRZFVTQQAKCMTI-FPOVZHCZSA-N 1 2 438.576 3.710 40 0 IHABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013494495 557325576 /nfs/dbraw/zinc/32/55/76/557325576.db2.gz SRZFVTQQAKCMTI-FPOVZHCZSA-N 1 2 438.576 3.710 40 0 IHABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C(C)C ZINC000223180025 557442408 /nfs/dbraw/zinc/44/24/08/557442408.db2.gz JNJLZLDDQLLJLD-XZOQPEGZSA-N 1 2 441.645 3.776 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000019522939 557501487 /nfs/dbraw/zinc/50/14/87/557501487.db2.gz LJEORVABIGZXPV-QHCPKHFHSA-N 1 2 442.567 3.980 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000019522939 557501490 /nfs/dbraw/zinc/50/14/90/557501490.db2.gz LJEORVABIGZXPV-QHCPKHFHSA-N 1 2 442.567 3.980 40 0 IHABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000225579679 557746379 /nfs/dbraw/zinc/74/63/79/557746379.db2.gz PMSASKYMJUYHON-UHFFFAOYSA-N 1 2 444.959 3.738 40 0 IHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)Nc3cccc(F)c3)n2)cc1 ZINC000015675989 560094834 /nfs/dbraw/zinc/09/48/34/560094834.db2.gz QWXVHCNHMGTCCZ-IBGZPJMESA-N 1 2 434.431 3.939 40 0 biogenic,in-vitro IHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)Nc3cccc(F)c3)n2)cc1 ZINC000015675989 560094836 /nfs/dbraw/zinc/09/48/36/560094836.db2.gz QWXVHCNHMGTCCZ-IBGZPJMESA-N 1 2 434.431 3.939 40 0 biogenic,in-vitro IHABLO OCc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)o1 ZINC000015675658 560094899 /nfs/dbraw/zinc/09/48/99/560094899.db2.gz XMQUBHGPJAHBGZ-QFIPXVFZSA-N 1 2 427.464 3.998 40 0 biogenic,in-vitro IHABLO O=C(Nc1ccccc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000015707366 560096744 /nfs/dbraw/zinc/09/67/44/560096744.db2.gz XSWSUYMGKSPNRT-KRWDZBQOSA-N 1 2 430.424 3.520 40 0 biogenic,in-vitro IHABLO O=C(Nc1ccccc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000015707366 560096745 /nfs/dbraw/zinc/09/67/45/560096745.db2.gz XSWSUYMGKSPNRT-KRWDZBQOSA-N 1 2 430.424 3.520 40 0 biogenic,in-vitro IHABLO COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)C[N@H+](C)Cc4cccnc4)C3)o2)c1 ZINC000257206515 568668263 /nfs/dbraw/zinc/66/82/63/568668263.db2.gz BDVQMTQNHWRISJ-OAQYLSRUSA-N 1 2 434.540 3.507 40 0 IHABLO COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)C[N@@H+](C)Cc4cccnc4)C3)o2)c1 ZINC000257206515 568668267 /nfs/dbraw/zinc/66/82/67/568668267.db2.gz BDVQMTQNHWRISJ-OAQYLSRUSA-N 1 2 434.540 3.507 40 0 IHABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@H](c3cccc(Nc4nnc(C)s4)n3)C2)c1 ZINC000257229802 568678890 /nfs/dbraw/zinc/67/88/90/568678890.db2.gz FZNZJDXIFAQWRC-FQEVSTJZSA-N 1 2 441.557 3.714 40 0 IHABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@H](c3cccc(Nc4nnc(C)s4)n3)C2)c1 ZINC000257229802 568678892 /nfs/dbraw/zinc/67/88/92/568678892.db2.gz FZNZJDXIFAQWRC-FQEVSTJZSA-N 1 2 441.557 3.714 40 0 IHABLO CS(=O)(=O)c1ccc(C[NH+]2CCC3(CC2)Oc2c(O)cccc2[C@H]2OCCC[C@@H]23)cc1 ZINC000257240465 568683908 /nfs/dbraw/zinc/68/39/08/568683908.db2.gz HTPFGZVHCMGTBK-RBBKRZOGSA-N 1 2 443.565 3.691 40 0 IHABLO CCc1nnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)c2)s1 ZINC000257272475 568698813 /nfs/dbraw/zinc/69/88/13/568698813.db2.gz NCOCSQMVENJEQN-LJQANCHMSA-N 1 2 441.532 3.829 40 0 IHABLO CCc1nnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)c2)s1 ZINC000257272474 568698925 /nfs/dbraw/zinc/69/89/25/568698925.db2.gz NCOCSQMVENJEQN-IBGZPJMESA-N 1 2 441.532 3.829 40 0 IHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(CN3CCOCC3)cc2)n1 ZINC000257286145 568705026 /nfs/dbraw/zinc/70/50/26/568705026.db2.gz PKMFYQUNNJLXFX-HSZRJFAPSA-N 1 2 445.567 3.639 40 0 IHABLO COCc1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)ccc1OC(C)C ZINC000257286522 568705170 /nfs/dbraw/zinc/70/51/70/568705170.db2.gz PLXAPDFGICSFJK-XMMPIXPASA-N 1 2 449.555 3.628 40 0 IHABLO COCc1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)ccc1OC(C)C ZINC000257286522 568705174 /nfs/dbraw/zinc/70/51/74/568705174.db2.gz PLXAPDFGICSFJK-XMMPIXPASA-N 1 2 449.555 3.628 40 0 IHABLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4cccc(C)n4)n3)C2)cc1CO ZINC000257294802 568708839 /nfs/dbraw/zinc/70/88/39/568708839.db2.gz QVUSUMZCGVLXJY-HSZRJFAPSA-N 1 2 434.540 3.993 40 0 IHABLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(Nc4cccc(C)n4)n3)C2)cc1CO ZINC000257294802 568708841 /nfs/dbraw/zinc/70/88/41/568708841.db2.gz QVUSUMZCGVLXJY-HSZRJFAPSA-N 1 2 434.540 3.993 40 0 IHABLO O=C(C1CC[NH+](Cc2cccnc2)CC1)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257309822 568715360 /nfs/dbraw/zinc/71/53/60/568715360.db2.gz UCNHZXVEGFJZLG-JOCHJYFZSA-N 1 2 448.546 3.505 40 0 IHABLO Nc1ccc(-c2cccc(C(=O)N3CCOC[C@H](Cc4cccc5cccnc54)C3)n2)c[nH+]1 ZINC000257328610 568723700 /nfs/dbraw/zinc/72/37/00/568723700.db2.gz XGKHFSWSRLXJNG-GOSISDBHSA-N 1 2 439.519 3.605 40 0 IHABLO CC(=O)N1CC[C@@H](c2nc(C)ncc2-c2cc[nH+]c(NCc3nc4ccccc4n3C)c2)C1 ZINC000257334390 568726225 /nfs/dbraw/zinc/72/62/25/568726225.db2.gz YFRLYHBBQLCHJP-LJQANCHMSA-N 1 2 441.539 3.682 40 0 IHABLO CCCCOc1ccccc1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364296 568733461 /nfs/dbraw/zinc/73/34/61/568733461.db2.gz KMUZAFZIZDYJRE-JOCHJYFZSA-O 1 2 437.545 3.951 40 0 IHABLO CCCOc1ccccc1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]21 ZINC000261363607 568733504 /nfs/dbraw/zinc/73/35/04/568733504.db2.gz UCAJFYBGHLAVAA-QFIPXVFZSA-O 1 2 437.545 3.951 40 0 IHABLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000015350588 568758682 /nfs/dbraw/zinc/75/86/82/568758682.db2.gz CGTWHBSGAFJQGR-LLVKDONJSA-N 1 2 426.357 3.938 40 0 IHABLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000015350588 568758684 /nfs/dbraw/zinc/75/86/84/568758684.db2.gz CGTWHBSGAFJQGR-LLVKDONJSA-N 1 2 426.357 3.938 40 0 IHABLO Clc1cc(I)ccc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329056152 568810599 /nfs/dbraw/zinc/81/05/99/568810599.db2.gz VRXNUVJRKLEGGP-UHFFFAOYSA-N 1 2 426.689 3.774 40 0 IHABLO C[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329068989 568811070 /nfs/dbraw/zinc/81/10/70/568811070.db2.gz YTQXFYDAIWYWTD-VIFPVBQESA-N 1 2 431.256 3.515 40 0 IHABLO CCOC(=O)C1=C(O)[NH+]=C(N2CCCCC2)N2[C@H](c3ccccc3)Oc3ccccc3[C@@H]12 ZINC000226811747 569182895 /nfs/dbraw/zinc/18/28/95/569182895.db2.gz CLQLSXXVURXKCC-FUDKSRODSA-N 1 2 433.508 3.682 40 0 IHABLO CCn1ccnc1C[NH+]1CCC(c2ncc(C(=O)Nc3ccc(OC)cc3)c(C)n2)CC1 ZINC000019763847 569238198 /nfs/dbraw/zinc/23/81/98/569238198.db2.gz ZPMGBPMIHFGYAT-UHFFFAOYSA-N 1 2 434.544 3.642 40 0 IHABLO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(C)=O)[N@H+]1C=Cc3ccccc3[C@@H]21 ZINC000009348897 569295739 /nfs/dbraw/zinc/29/57/39/569295739.db2.gz ZXOODZDVQKLXTF-YSFYHYPLSA-N 1 2 436.895 3.761 40 0 IHABLO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(C)=O)[N@@H+]1C=Cc3ccccc3[C@@H]21 ZINC000009348897 569295740 /nfs/dbraw/zinc/29/57/40/569295740.db2.gz ZXOODZDVQKLXTF-YSFYHYPLSA-N 1 2 436.895 3.761 40 0 IHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(O)ccc1Br ZINC000261362463 569315546 /nfs/dbraw/zinc/31/55/46/569315546.db2.gz DDMNMHNFFWSAAV-INIZCTEOSA-O 1 2 432.323 3.689 40 0 IHABLO CNC(=O)c1cc([C@H]2C[N@H+](Cc3ccc4cccc(OC)c4n3)CCO2)nc2ccccc21 ZINC000019759607 569328765 /nfs/dbraw/zinc/32/87/65/569328765.db2.gz NLFTYRKDAQUKBF-XMMPIXPASA-N 1 2 442.519 3.725 40 0 IHABLO CNC(=O)c1cc([C@H]2C[N@@H+](Cc3ccc4cccc(OC)c4n3)CCO2)nc2ccccc21 ZINC000019759607 569328766 /nfs/dbraw/zinc/32/87/66/569328766.db2.gz NLFTYRKDAQUKBF-XMMPIXPASA-N 1 2 442.519 3.725 40 0 IHABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccnc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329004784 569583269 /nfs/dbraw/zinc/58/32/69/569583269.db2.gz KTMWZEJDALMCIH-LJQANCHMSA-N 1 2 447.461 4.478 40 0 IHABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035292042 520811321 /nfs/dbraw/zinc/81/13/21/520811321.db2.gz NABWEXVFVVDHOX-MOPGFXCFSA-N 1 2 438.498 3.534 40 0 IHABLO CCOc1ccc2nc(NC(=O)C[NH+]3CCC(NC(=O)C4CCCCC4)CC3)sc2c1 ZINC000012644580 521302667 /nfs/dbraw/zinc/30/26/67/521302667.db2.gz OBWNPEGLPFVNMT-UHFFFAOYSA-N 1 2 444.601 3.794 40 0 IHABLO CCc1nnc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)c(C)c2)s1 ZINC000012643273 522764753 /nfs/dbraw/zinc/76/47/53/522764753.db2.gz IIBSVKALJXLIBQ-UHFFFAOYSA-N 1 2 425.543 3.577 40 0 IHABLO Cc1ccc(OCc2nnc(SCC[NH+]3CCOCC3)n2-c2ccc(F)cc2)cc1 ZINC000035312066 525451759 /nfs/dbraw/zinc/45/17/59/525451759.db2.gz BARWGTFKVULTMN-UHFFFAOYSA-N 1 2 428.533 3.718 40 0 IHABLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NS(=O)(=O)c1ccccc1 ZINC000022874421 526111855 /nfs/dbraw/zinc/11/18/55/526111855.db2.gz LXIVDWITZHPYDG-UHFFFAOYSA-N 1 2 449.576 3.754 40 0 IHABLO Fc1ccc(NCc2nnc(SCC[NH+]3CCOCC3)n2Cc2ccccc2)cc1 ZINC000000917000 555583530 /nfs/dbraw/zinc/58/35/30/555583530.db2.gz SYZLDOZMGOODDD-UHFFFAOYSA-N 1 2 427.549 3.502 40 0 IHABLO COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000016226472 556592713 /nfs/dbraw/zinc/59/27/13/556592713.db2.gz IAVXFJBDIGECDG-RUDMXATFSA-N 1 2 431.330 3.942 40 0 IHABLO CN1C(=O)CCC[C@]12CN(C(=O)c1cccc(Cn3cc[nH+]c3)c1)C[C@H]2c1ccc(F)cc1 ZINC000257310443 556718474 /nfs/dbraw/zinc/71/84/74/556718474.db2.gz UFCIZOXMWDMKPC-JYFHCDHNSA-N 1 2 446.526 3.691 40 0 IHABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000138738700 556719529 /nfs/dbraw/zinc/71/95/29/556719529.db2.gz FLDJJCYEBBLJOE-FCGDIQPGSA-N 1 2 428.410 3.541 40 0 IHABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000138738700 556719531 /nfs/dbraw/zinc/71/95/31/556719531.db2.gz FLDJJCYEBBLJOE-FCGDIQPGSA-N 1 2 428.410 3.541 40 0 IHABLO Cc1nc2c(c(N(Cc3ccccn3)C[C@@H]3CCCO3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286166 556727785 /nfs/dbraw/zinc/72/77/85/556727785.db2.gz ZYTGSWRMWDKUDF-QHCPKHFHSA-N 1 2 429.568 3.924 40 0 IHABLO Cc1nc2c(c(N(Cc3ccccn3)C[C@@H]3CCCO3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286166 556727787 /nfs/dbraw/zinc/72/77/87/556727787.db2.gz ZYTGSWRMWDKUDF-QHCPKHFHSA-N 1 2 429.568 3.924 40 0 IHABLO O=C([C@@H]1CC12CCC2)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019292134 556731781 /nfs/dbraw/zinc/73/17/81/556731781.db2.gz VETCGORXKSHULB-FQEVSTJZSA-N 1 2 449.599 3.632 40 0 IHABLO O=C([C@@H]1CC12CCC2)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019292134 556731784 /nfs/dbraw/zinc/73/17/84/556731784.db2.gz VETCGORXKSHULB-FQEVSTJZSA-N 1 2 449.599 3.632 40 0 IHABLO O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H](c2[nH+]c(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019294208 556734231 /nfs/dbraw/zinc/73/42/31/556734231.db2.gz GQYHNYXBDWGCKI-CYBMUJFWSA-N 1 2 438.488 3.794 40 0 IHABLO O=C(c1cccc2ccccc21)[C@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019366035 556746089 /nfs/dbraw/zinc/74/60/89/556746089.db2.gz NYOGKFRLXNPOAH-FTJBHMTQSA-N 1 2 430.548 3.797 40 0 IHABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)CC5CCCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448135 556757119 /nfs/dbraw/zinc/75/71/19/556757119.db2.gz RYZYPVZGRFFUSV-UHFFFAOYSA-N 1 2 439.604 3.878 40 0 IHABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)CC5CCCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448135 556757123 /nfs/dbraw/zinc/75/71/23/556757123.db2.gz RYZYPVZGRFFUSV-UHFFFAOYSA-N 1 2 439.604 3.878 40 0 IHABLO CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000019453899 556764285 /nfs/dbraw/zinc/76/42/85/556764285.db2.gz OVFIQVHKQMVDMY-LJQANCHMSA-N 1 2 445.567 3.666 40 0 IHABLO C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019462900 556767791 /nfs/dbraw/zinc/76/77/91/556767791.db2.gz HKGCNPDTZSDSCW-BJLQDIEVSA-N 1 2 449.599 3.511 40 0 IHABLO C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019462900 556767793 /nfs/dbraw/zinc/76/77/93/556767793.db2.gz HKGCNPDTZSDSCW-BJLQDIEVSA-N 1 2 449.599 3.511 40 0 IHABLO CCCN1CC[N@H+](Cc2nccn2CC)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503291 556775025 /nfs/dbraw/zinc/77/50/25/556775025.db2.gz VGXXWKKDOSKYHU-QHCPKHFHSA-N 1 2 431.584 3.878 40 0 IHABLO CCCN1CC[N@@H+](Cc2nccn2CC)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503291 556775027 /nfs/dbraw/zinc/77/50/27/556775027.db2.gz VGXXWKKDOSKYHU-QHCPKHFHSA-N 1 2 431.584 3.878 40 0 IHABLO CCCN1CC[N@H+](Cc2nccn2CC)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503362 556775089 /nfs/dbraw/zinc/77/50/89/556775089.db2.gz FUVJGGMSQIIQDW-HSZRJFAPSA-N 1 2 431.584 3.878 40 0 IHABLO CCCN1CC[N@@H+](Cc2nccn2CC)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503362 556775091 /nfs/dbraw/zinc/77/50/91/556775091.db2.gz FUVJGGMSQIIQDW-HSZRJFAPSA-N 1 2 431.584 3.878 40 0 IHABLO COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)[NH+]2CCC(C)CC2)c(OC)c1 ZINC000004847708 556823737 /nfs/dbraw/zinc/82/37/37/556823737.db2.gz BKSQYPHAKDIBDF-JOCHJYFZSA-N 1 2 425.508 3.699 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006408905 556834737 /nfs/dbraw/zinc/83/47/37/556834737.db2.gz NGNRMNZVNJJHHR-QHCPKHFHSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006410122 556835067 /nfs/dbraw/zinc/83/50/67/556835067.db2.gz QGMFDLUNTDCCMF-HSZRJFAPSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000006443867 556836598 /nfs/dbraw/zinc/83/65/98/556836598.db2.gz KMMHPQZWBZFJDY-SBUREZEXSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000006443867 556836602 /nfs/dbraw/zinc/83/66/02/556836602.db2.gz KMMHPQZWBZFJDY-SBUREZEXSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1nc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019741663 556884387 /nfs/dbraw/zinc/88/43/87/556884387.db2.gz DBXQKUJJZXVTQP-SFHVURJKSA-N 1 2 434.519 3.506 40 0 IHABLO Cc1nc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019741663 556884390 /nfs/dbraw/zinc/88/43/90/556884390.db2.gz DBXQKUJJZXVTQP-SFHVURJKSA-N 1 2 434.519 3.506 40 0 IHABLO Cc1nc([C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019741663 556884393 /nfs/dbraw/zinc/88/43/93/556884393.db2.gz DBXQKUJJZXVTQP-SFHVURJKSA-N 1 2 434.519 3.506 40 0 IHABLO Cc1nc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741667 556884561 /nfs/dbraw/zinc/88/45/61/556884561.db2.gz WQOWLXHNACFXJJ-NRFANRHFSA-N 1 2 444.583 3.800 40 0 IHABLO Cc1nc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741667 556884565 /nfs/dbraw/zinc/88/45/65/556884565.db2.gz WQOWLXHNACFXJJ-NRFANRHFSA-N 1 2 444.583 3.800 40 0 IHABLO Cc1nc([C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741667 556884568 /nfs/dbraw/zinc/88/45/68/556884568.db2.gz WQOWLXHNACFXJJ-NRFANRHFSA-N 1 2 444.583 3.800 40 0 IHABLO Cc1nc(CN(C)Cc2c[nH+]cn2Cc2ccccc2)nc2c1CCC(=O)N2CCC(C)C ZINC000072370979 556937029 /nfs/dbraw/zinc/93/70/29/556937029.db2.gz RTSWSESOQXZFSO-UHFFFAOYSA-N 1 2 446.599 3.987 40 0 IHABLO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@H+](C)CCc4ccccc4)nc32)c1 ZINC000072371037 556937077 /nfs/dbraw/zinc/93/70/77/556937077.db2.gz RJFPPGLLVYMYFA-UHFFFAOYSA-N 1 2 444.579 3.990 40 0 IHABLO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@@H+](C)CCc4ccccc4)nc32)c1 ZINC000072371037 556937081 /nfs/dbraw/zinc/93/70/81/556937081.db2.gz RJFPPGLLVYMYFA-UHFFFAOYSA-N 1 2 444.579 3.990 40 0 IHABLO O=C(C[N@H+]1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1)Nc1nccs1 ZINC000072371253 556937794 /nfs/dbraw/zinc/93/77/94/556937794.db2.gz IAWJJBFVDIVFOR-CQSZACIVSA-N 1 2 431.949 3.569 40 0 IHABLO O=C(C[N@@H+]1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1)Nc1nccs1 ZINC000072371253 556937798 /nfs/dbraw/zinc/93/77/98/556937798.db2.gz IAWJJBFVDIVFOR-CQSZACIVSA-N 1 2 431.949 3.569 40 0 IHABLO O=C(C[N@H+]1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1)Nc1nccs1 ZINC000072371253 556937801 /nfs/dbraw/zinc/93/78/01/556937801.db2.gz IAWJJBFVDIVFOR-CQSZACIVSA-N 1 2 431.949 3.569 40 0 IHABLO O=C(C[N@@H+]1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1)Nc1nccs1 ZINC000072371253 556937805 /nfs/dbraw/zinc/93/78/05/556937805.db2.gz IAWJJBFVDIVFOR-CQSZACIVSA-N 1 2 431.949 3.569 40 0 IHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000020150649 556991244 /nfs/dbraw/zinc/99/12/44/556991244.db2.gz ASKYGVKMRJNGRU-YGWSKSRPSA-N 1 2 434.536 3.856 40 0 IHABLO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)CC1 ZINC000409409577 557108502 /nfs/dbraw/zinc/10/85/02/557108502.db2.gz IFJDHDZCVKNKTP-UHFFFAOYSA-N 1 2 435.977 3.535 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000006197038 557149351 /nfs/dbraw/zinc/14/93/51/557149351.db2.gz WNZPDHCPDPHAHJ-HSZRJFAPSA-N 1 2 444.539 3.537 40 0 IHABLO COc1cccc(-c2c[nH+]c3n2CCC32CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000096263422 557191050 /nfs/dbraw/zinc/19/10/50/557191050.db2.gz IDZWTCPEYMSCAY-UHFFFAOYSA-N 1 2 429.567 3.746 40 0 IHABLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014328161 557435005 /nfs/dbraw/zinc/43/50/05/557435005.db2.gz SLTKKFHMJAUVQB-UHFFFAOYSA-N 1 2 444.915 3.653 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1CCC[NH+]1CCOCC1 ZINC000223206080 557445952 /nfs/dbraw/zinc/44/59/52/557445952.db2.gz YRPHDKCIEBBUQP-ZEQRLZLVSA-N 1 2 447.608 3.567 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000019522938 557501533 /nfs/dbraw/zinc/50/15/33/557501533.db2.gz LJEORVABIGZXPV-HSZRJFAPSA-N 1 2 442.567 3.980 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000019522938 557501537 /nfs/dbraw/zinc/50/15/37/557501537.db2.gz LJEORVABIGZXPV-HSZRJFAPSA-N 1 2 442.567 3.980 40 0 IHABLO COc1cc(C[NH+]2CCN(C(=S)Nc3cc(C)cc(C)c3)CC2)cc(OC)c1OC ZINC000225222994 557702017 /nfs/dbraw/zinc/70/20/17/557702017.db2.gz NIKCZNSOJGPLMT-UHFFFAOYSA-N 1 2 429.586 3.844 40 0 IHABLO Cc1[nH]c2ccc(NC(=O)C[C@H]3CCCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)cc2[nH+]1 ZINC000257219011 568674001 /nfs/dbraw/zinc/67/40/01/568674001.db2.gz DFGFFUZKCPSCIP-MRXNPFEDSA-N 1 2 430.512 3.937 40 0 IHABLO Cc1cc(OCC(=O)N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)c2cccc(C)c2[nH+]1 ZINC000257227790 568677896 /nfs/dbraw/zinc/67/78/96/568677896.db2.gz FQWPZNUJGUQNPC-UNMCSNQZSA-N 1 2 438.499 3.800 40 0 IHABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@@H](c3cccc(Nc4nnc(C)s4)n3)C2)c1 ZINC000257229803 568678851 /nfs/dbraw/zinc/67/88/51/568678851.db2.gz FZNZJDXIFAQWRC-HXUWFJFHSA-N 1 2 441.557 3.714 40 0 IHABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@@H](c3cccc(Nc4nnc(C)s4)n3)C2)c1 ZINC000257229803 568678853 /nfs/dbraw/zinc/67/88/53/568678853.db2.gz FZNZJDXIFAQWRC-HXUWFJFHSA-N 1 2 441.557 3.714 40 0 IHABLO Cc1nc2cc([C@H]3CCC[N@@H+]3Cc3ccncc3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257240180 568683697 /nfs/dbraw/zinc/68/36/97/568683697.db2.gz HSLQYGSRIZUNHN-HSZRJFAPSA-N 1 2 432.572 3.537 40 0 IHABLO Cc1nc2cc([C@H]3CCC[N@H+]3Cc3ccncc3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257240180 568683700 /nfs/dbraw/zinc/68/37/00/568683700.db2.gz HSLQYGSRIZUNHN-HSZRJFAPSA-N 1 2 432.572 3.537 40 0 IHABLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CCC2 ZINC000257251812 568689282 /nfs/dbraw/zinc/68/92/82/568689282.db2.gz JSIRLUPMWHHOAR-HSZRJFAPSA-N 1 2 433.556 3.938 40 0 IHABLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CCC2 ZINC000257251812 568689285 /nfs/dbraw/zinc/68/92/85/568689285.db2.gz JSIRLUPMWHHOAR-HSZRJFAPSA-N 1 2 433.556 3.938 40 0 IHABLO COc1cccc(C(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1OCc1ccccn1 ZINC000257261978 568694157 /nfs/dbraw/zinc/69/41/57/568694157.db2.gz LJMXWQSKJHSGJD-HXUWFJFHSA-N 1 2 432.524 3.805 40 0 IHABLO CNc1cc([C@H]2CCCN2C(=O)C2(Cc3cccc(F)c3)CCN(C(C)=O)CC2)cc[nH+]1 ZINC000257273390 568699075 /nfs/dbraw/zinc/69/90/75/568699075.db2.gz NGJCUJLZEJOSON-JOCHJYFZSA-N 1 2 438.547 3.797 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCCC(=O)N2 ZINC000257277168 568700806 /nfs/dbraw/zinc/70/08/06/568700806.db2.gz NWSSZDSJOSXCRE-JYFHCDHNSA-N 1 2 446.526 3.739 40 0 IHABLO Cc1cccnc1C[N@@H+]1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1 ZINC000257278699 568701639 /nfs/dbraw/zinc/70/16/39/568701639.db2.gz ODGVQBOBYDFWNY-XMMPIXPASA-N 1 2 446.599 3.942 40 0 IHABLO Cc1cccnc1C[N@H+]1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1 ZINC000257278699 568701641 /nfs/dbraw/zinc/70/16/41/568701641.db2.gz ODGVQBOBYDFWNY-XMMPIXPASA-N 1 2 446.599 3.942 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@@H+]3Cc3cccc(C)n3)nn2c1C ZINC000257284378 568704186 /nfs/dbraw/zinc/70/41/86/568704186.db2.gz PCLGAIQQOBDGOK-HSZRJFAPSA-N 1 2 434.588 3.845 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@H+]3Cc3cccc(C)n3)nn2c1C ZINC000257284378 568704189 /nfs/dbraw/zinc/70/41/89/568704189.db2.gz PCLGAIQQOBDGOK-HSZRJFAPSA-N 1 2 434.588 3.845 40 0 IHABLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1CO ZINC000257284872 568704539 /nfs/dbraw/zinc/70/45/39/568704539.db2.gz PERQONVWZNDDDT-DEOSSOPVSA-N 1 2 449.555 3.697 40 0 IHABLO CCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1CO ZINC000257284872 568704540 /nfs/dbraw/zinc/70/45/40/568704540.db2.gz PERQONVWZNDDDT-DEOSSOPVSA-N 1 2 449.555 3.697 40 0 IHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@@H]1Oc1ccccc1 ZINC000257303441 568712708 /nfs/dbraw/zinc/71/27/08/568712708.db2.gz SHGMSPQGVCAJIM-RXVVDRJESA-N 1 2 431.945 3.793 40 0 IHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@@H]1Oc1ccccc1 ZINC000257303441 568712711 /nfs/dbraw/zinc/71/27/11/568712711.db2.gz SHGMSPQGVCAJIM-RXVVDRJESA-N 1 2 431.945 3.793 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)nn2c1C ZINC000257307926 568714545 /nfs/dbraw/zinc/71/45/45/568714545.db2.gz TUSYRCLUIDRSIS-QHCPKHFHSA-N 1 2 434.588 3.927 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCC[N@H+]3Cc3cccnc3)nn2c1C ZINC000257307926 568714549 /nfs/dbraw/zinc/71/45/49/568714549.db2.gz TUSYRCLUIDRSIS-QHCPKHFHSA-N 1 2 434.588 3.927 40 0 IHABLO O=C(C1CC[NH+](Cc2cccnc2)CC1)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257309823 568715393 /nfs/dbraw/zinc/71/53/93/568715393.db2.gz UCNHZXVEGFJZLG-QFIPXVFZSA-N 1 2 448.546 3.505 40 0 IHABLO CCc1nc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H]2CCCC(=O)N3Cc2ccccc2)sc1C ZINC000257323263 568721383 /nfs/dbraw/zinc/72/13/83/568721383.db2.gz WJJZUGDDWXHTFI-WOJBJXKFSA-N 1 2 426.586 3.608 40 0 IHABLO CCc1nc(NC(=O)C[N@H+]2CC[C@@H]3[C@H]2CCCC(=O)N3Cc2ccccc2)sc1C ZINC000257323263 568721386 /nfs/dbraw/zinc/72/13/86/568721386.db2.gz WJJZUGDDWXHTFI-WOJBJXKFSA-N 1 2 426.586 3.608 40 0 IHABLO COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)cc1C[NH+]1CCOCC1 ZINC000257326792 568723054 /nfs/dbraw/zinc/72/30/54/568723054.db2.gz WYOVSRPWNGXBSI-SYOGCCDTSA-N 1 2 442.600 3.546 40 0 IHABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1cccc(OC3CCCC3)c1)CC2 ZINC000257336500 568727128 /nfs/dbraw/zinc/72/71/28/568727128.db2.gz YOSPEGWFOQZMOY-HXUWFJFHSA-N 1 2 449.599 3.734 40 0 IHABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1cccc(OC3CCCC3)c1)CC2 ZINC000257336500 568727131 /nfs/dbraw/zinc/72/71/31/568727131.db2.gz YOSPEGWFOQZMOY-HXUWFJFHSA-N 1 2 449.599 3.734 40 0 IHABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CN(C(=O)c3ccc4c(c3)CCCN4C)CCO2)n1 ZINC000257340508 568728715 /nfs/dbraw/zinc/72/87/15/568728715.db2.gz ZGLDWTRBQAMBDC-XMMPIXPASA-N 1 2 443.551 3.630 40 0 IHABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3cccs3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306127646 568764970 /nfs/dbraw/zinc/76/49/70/568764970.db2.gz GEASPEKFKMEITK-YADARESESA-N 1 2 449.580 3.579 40 0 IHABLO COc1ncccc1C[N@@H+]1CCN(CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306132151 568767156 /nfs/dbraw/zinc/76/71/56/568767156.db2.gz LABSLVDALNJFGI-HSZRJFAPSA-N 1 2 446.599 3.607 40 0 IHABLO COc1ncccc1C[N@H+]1CCN(CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306132151 568767157 /nfs/dbraw/zinc/76/71/57/568767157.db2.gz LABSLVDALNJFGI-HSZRJFAPSA-N 1 2 446.599 3.607 40 0 IHABLO COc1ncccc1CN1CC[N@H+](CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306132151 568767159 /nfs/dbraw/zinc/76/71/59/568767159.db2.gz LABSLVDALNJFGI-HSZRJFAPSA-N 1 2 446.599 3.607 40 0 IHABLO COc1ncccc1CN1CC[N@@H+](CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306132151 568767161 /nfs/dbraw/zinc/76/71/61/568767161.db2.gz LABSLVDALNJFGI-HSZRJFAPSA-N 1 2 446.599 3.607 40 0 IHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cc(Cl)ccc1OC ZINC000261363379 569315773 /nfs/dbraw/zinc/31/57/73/569315773.db2.gz HBWQGBAUKPJTFC-FQEVSTJZSA-O 1 2 443.936 3.824 40 0 IHABLO CC(C)(C)CC(=O)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474648 291364787 /nfs/dbraw/zinc/36/47/87/291364787.db2.gz CJIXCKXEBCGJHE-UHFFFAOYSA-N 1 2 427.614 3.948 40 0 biogenic,in-vitro IHABLO CC(C)(C)CC(=O)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474648 291364790 /nfs/dbraw/zinc/36/47/90/291364790.db2.gz CJIXCKXEBCGJHE-UHFFFAOYSA-N 1 2 427.614 3.948 40 0 biogenic,in-vitro IHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497348 520947383 /nfs/dbraw/zinc/94/73/83/520947383.db2.gz ASKYGVKMRJNGRU-IMIIHFCZSA-N 1 2 434.536 3.856 40 0 IHABLO CNc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000020478171 522686306 /nfs/dbraw/zinc/68/63/06/522686306.db2.gz BRNAQHDJLNISJV-NRFANRHFSA-N 1 2 427.552 3.753 40 0 IHABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCCn3cc[nH+]c3)ccc2Cl)c1 ZINC000408622907 555991742 /nfs/dbraw/zinc/99/17/42/555991742.db2.gz WUAFINGJZMXMRB-UHFFFAOYSA-N 1 2 446.960 3.774 40 0 IHABLO CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000036616789 556516594 /nfs/dbraw/zinc/51/65/94/556516594.db2.gz OKTWVSLIVWSQBD-UHFFFAOYSA-N 1 2 433.556 3.685 40 0 IHABLO C[C@@]1(O)CC[N@H+](Cc2cccnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289668 556623926 /nfs/dbraw/zinc/62/39/26/556623926.db2.gz NFPHBJZBOFKDQH-QNWVGRARSA-N 1 2 425.529 3.779 40 0 biogenic,in-vitro IHABLO C[C@@]1(O)CC[N@@H+](Cc2cccnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289668 556623927 /nfs/dbraw/zinc/62/39/27/556623927.db2.gz NFPHBJZBOFKDQH-QNWVGRARSA-N 1 2 425.529 3.779 40 0 biogenic,in-vitro IHABLO Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@@H](C)[NH+]4CCOCC4)C3)c(-c3ccncc3)c2c1 ZINC000019220136 556714543 /nfs/dbraw/zinc/71/45/43/556714543.db2.gz YASMEVCIGUFZJB-TZIWHRDSSA-N 1 2 432.568 3.965 40 0 IHABLO O=C(C1CCCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019292141 556731999 /nfs/dbraw/zinc/73/19/99/556731999.db2.gz AESLZMUTEPDKBN-UHFFFAOYSA-N 1 2 437.588 3.632 40 0 IHABLO O=C(C1CCCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019292141 556732002 /nfs/dbraw/zinc/73/20/02/556732002.db2.gz AESLZMUTEPDKBN-UHFFFAOYSA-N 1 2 437.588 3.632 40 0 IHABLO O=C(C[C@H]1C=CCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019292142 556732108 /nfs/dbraw/zinc/73/21/08/556732108.db2.gz OEYKVSHIONPAMC-SFHVURJKSA-N 1 2 449.599 3.798 40 0 IHABLO O=C(C[C@H]1C=CCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019292142 556732111 /nfs/dbraw/zinc/73/21/11/556732111.db2.gz OEYKVSHIONPAMC-SFHVURJKSA-N 1 2 449.599 3.798 40 0 IHABLO Cc1cc(C(=O)[C@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)ccc1Cl ZINC000019366133 556746078 /nfs/dbraw/zinc/74/60/78/556746078.db2.gz ZIMMQXHOWGZONK-PKTZIBPZSA-N 1 2 428.960 3.605 40 0 IHABLO O=C(C[NH+]1CCC(O)(Cn2ncc3ccccc32)CC1)c1cccn1-c1ccccc1F ZINC000019376587 556752339 /nfs/dbraw/zinc/75/23/39/556752339.db2.gz PCXXSBGGUWYNCT-UHFFFAOYSA-N 1 2 432.499 3.676 40 0 IHABLO COC(=O)[C@H](Nc1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2)C(C)C ZINC000019445281 556755692 /nfs/dbraw/zinc/75/56/92/556755692.db2.gz KRHBVPNDXITBQO-JOCHJYFZSA-N 1 2 449.530 3.846 40 0 IHABLO COC(=O)[C@H](Nc1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2)C(C)C ZINC000019445281 556755695 /nfs/dbraw/zinc/75/56/95/556755695.db2.gz KRHBVPNDXITBQO-JOCHJYFZSA-N 1 2 449.530 3.846 40 0 IHABLO CCc1cc(C(F)(F)F)nc([C@H]2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)n1 ZINC000019522565 556779915 /nfs/dbraw/zinc/77/99/15/556779915.db2.gz OLPZSGDZPIMRFV-KRWDZBQOSA-N 1 2 429.446 3.932 40 0 IHABLO C[N@@H+]1CCO[C@@H](c2c3ccccc3sc2C(=O)NCc2nc(Cc3ccccc3)no2)C1 ZINC000019696679 556853456 /nfs/dbraw/zinc/85/34/56/556853456.db2.gz SDWWRVKFVOWDEY-GOSISDBHSA-N 1 2 448.548 3.808 40 0 IHABLO C[N@H+]1CCO[C@@H](c2c3ccccc3sc2C(=O)NCc2nc(Cc3ccccc3)no2)C1 ZINC000019696679 556853458 /nfs/dbraw/zinc/85/34/58/556853458.db2.gz SDWWRVKFVOWDEY-GOSISDBHSA-N 1 2 448.548 3.808 40 0 IHABLO CC(C)CNC(=O)c1cc([C@@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)nc2ccccc21 ZINC000019762419 556906964 /nfs/dbraw/zinc/90/69/64/556906964.db2.gz DKDBORBQNAEKEY-DEOSSOPVSA-N 1 2 447.583 3.655 40 0 IHABLO CC(C)CNC(=O)c1cc([C@@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)nc2ccccc21 ZINC000019762419 556906965 /nfs/dbraw/zinc/90/69/65/556906965.db2.gz DKDBORBQNAEKEY-DEOSSOPVSA-N 1 2 447.583 3.655 40 0 IHABLO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000019817120 556919943 /nfs/dbraw/zinc/91/99/43/556919943.db2.gz NTQXBVWYFKDJHO-UHFFFAOYSA-N 1 2 446.942 3.711 40 0 IHABLO COc1ccc(Cc2cc(C)nc([C@@H]3CCC[N@H+](CC(=O)Nc4cn(C)nc4C)C3)c2)cc1 ZINC000072354238 556929565 /nfs/dbraw/zinc/92/95/65/556929565.db2.gz REPOPFABEAQJJU-JOCHJYFZSA-N 1 2 447.583 3.849 40 0 IHABLO COc1ccc(Cc2cc(C)nc([C@@H]3CCC[N@@H+](CC(=O)Nc4cn(C)nc4C)C3)c2)cc1 ZINC000072354238 556929569 /nfs/dbraw/zinc/92/95/69/556929569.db2.gz REPOPFABEAQJJU-JOCHJYFZSA-N 1 2 447.583 3.849 40 0 IHABLO Cc1ccc2cc(C[NH2+]c3ccc(N4CCN(c5ncccn5)CC4)cc3)c(=O)[nH]c2c1 ZINC000072396131 556968750 /nfs/dbraw/zinc/96/87/50/556968750.db2.gz MTNHJYOMQAJQNW-UHFFFAOYSA-N 1 2 426.524 3.565 40 0 IHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000020150648 556991301 /nfs/dbraw/zinc/99/13/01/556991301.db2.gz ASKYGVKMRJNGRU-OYSWMMLKSA-N 1 2 434.536 3.856 40 0 IHABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)cc1 ZINC000216312264 557142771 /nfs/dbraw/zinc/14/27/71/557142771.db2.gz WLOIBYMVBOIJQH-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198104 557149726 /nfs/dbraw/zinc/14/97/26/557149726.db2.gz PFYSSDAYXSPBCB-UUOWRZLLSA-N 1 2 442.567 3.947 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198104 557149730 /nfs/dbraw/zinc/14/97/30/557149730.db2.gz PFYSSDAYXSPBCB-UUOWRZLLSA-N 1 2 442.567 3.947 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198361 557149820 /nfs/dbraw/zinc/14/98/20/557149820.db2.gz PFYSSDAYXSPBCB-MHECFPHRSA-N 1 2 442.567 3.947 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198361 557149822 /nfs/dbraw/zinc/14/98/22/557149822.db2.gz PFYSSDAYXSPBCB-MHECFPHRSA-N 1 2 442.567 3.947 40 0 IHABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3cc(Cl)cc(Cl)c3)C1=O)CC2 ZINC000096305305 557195173 /nfs/dbraw/zinc/19/51/73/557195173.db2.gz IAXZFSRIGQOTEY-KRWDZBQOSA-N 1 2 435.307 3.701 40 0 IHABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3cc(Cl)cc(Cl)c3)C1=O)CC2 ZINC000096305305 557195175 /nfs/dbraw/zinc/19/51/75/557195175.db2.gz IAXZFSRIGQOTEY-KRWDZBQOSA-N 1 2 435.307 3.701 40 0 IHABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](Cc5ccc(C)cc5)CC4)[nH]n3c(=O)c2C1 ZINC000100243056 557254899 /nfs/dbraw/zinc/25/48/99/557254899.db2.gz OQGZAGMVUZYTBR-UHFFFAOYSA-N 1 2 447.583 3.808 40 0 IHABLO COc1cccc(C[NH2+][C@@H](c2cc(=O)n3[nH]c(C4CCOCC4)cc3n2)C(C)C)c1OC ZINC000100730051 557272664 /nfs/dbraw/zinc/27/26/64/557272664.db2.gz CTXGRNBYJHGAIB-HSZRJFAPSA-N 1 2 440.544 3.833 40 0 IHABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501020 557324332 /nfs/dbraw/zinc/32/43/32/557324332.db2.gz FTAAZFBUVHUJJX-OAQYLSRUSA-N 1 2 440.592 3.694 40 0 IHABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501020 557324335 /nfs/dbraw/zinc/32/43/35/557324335.db2.gz FTAAZFBUVHUJJX-OAQYLSRUSA-N 1 2 440.592 3.694 40 0 IHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501009 557324359 /nfs/dbraw/zinc/32/43/59/557324359.db2.gz ATQMEYNULXIYPX-NRFANRHFSA-N 1 2 438.576 3.664 40 0 IHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501009 557324363 /nfs/dbraw/zinc/32/43/63/557324363.db2.gz ATQMEYNULXIYPX-NRFANRHFSA-N 1 2 438.576 3.664 40 0 IHABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499647 557328601 /nfs/dbraw/zinc/32/86/01/557328601.db2.gz VEXZDSNZYKYEEN-HXUWFJFHSA-N 1 2 440.592 3.612 40 0 IHABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499647 557328604 /nfs/dbraw/zinc/32/86/04/557328604.db2.gz VEXZDSNZYKYEEN-HXUWFJFHSA-N 1 2 440.592 3.612 40 0 IHABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C1CC1 ZINC000223174336 557441533 /nfs/dbraw/zinc/44/15/33/557441533.db2.gz CKIMAFZHCHAHPC-PKTZIBPZSA-N 1 2 439.629 3.530 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1CCC[NH+]1CCOCC1 ZINC000223205619 557445893 /nfs/dbraw/zinc/44/58/93/557445893.db2.gz XKEQTNODISKDMT-PKTZIBPZSA-N 1 2 439.629 3.693 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1CCC[NH+]1CCOCC1 ZINC000223206128 557445914 /nfs/dbraw/zinc/44/59/14/557445914.db2.gz YRPHDKCIEBBUQP-RPWUZVMVSA-N 1 2 447.608 3.567 40 0 IHABLO Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000224035062 557549014 /nfs/dbraw/zinc/54/90/14/557549014.db2.gz SNGVFWQIASMZQS-HAHDFKILSA-N 1 2 426.476 3.861 40 0 IHABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1C(=O)N1CCCC1 ZINC000224956324 557671127 /nfs/dbraw/zinc/67/11/27/557671127.db2.gz XPFHZAMXVPRIJL-UHFFFAOYSA-N 1 2 443.569 3.722 40 0 IHABLO Cc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015707369 560096753 /nfs/dbraw/zinc/09/67/53/560096753.db2.gz BSWTULBVKYEVLA-SFHVURJKSA-N 1 2 444.451 3.828 40 0 biogenic,in-vitro IHABLO Cc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015707369 560096754 /nfs/dbraw/zinc/09/67/54/560096754.db2.gz BSWTULBVKYEVLA-SFHVURJKSA-N 1 2 444.451 3.828 40 0 biogenic,in-vitro IHABLO CNc1cc([C@@H]2CCCN2C(=O)C2(C)CCN(C(=O)Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000257199856 568664928 /nfs/dbraw/zinc/66/49/28/568664928.db2.gz ABBCSDZIXVCCRZ-NRFANRHFSA-N 1 2 438.547 3.797 40 0 IHABLO COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)C[N@H+](C)Cc4cccnc4)C3)o2)c1 ZINC000257206514 568668273 /nfs/dbraw/zinc/66/82/73/568668273.db2.gz BDVQMTQNHWRISJ-NRFANRHFSA-N 1 2 434.540 3.507 40 0 IHABLO COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)C[N@@H+](C)Cc4cccnc4)C3)o2)c1 ZINC000257206514 568668276 /nfs/dbraw/zinc/66/82/76/568668276.db2.gz BDVQMTQNHWRISJ-NRFANRHFSA-N 1 2 434.540 3.507 40 0 IHABLO O=C(C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccccc1OC(F)F ZINC000257209481 568669395 /nfs/dbraw/zinc/66/93/95/568669395.db2.gz BQOFNFLQUJVOOZ-REWPJTCUSA-N 1 2 432.467 3.677 40 0 IHABLO O=C(C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccccc1OC(F)F ZINC000257209481 568669399 /nfs/dbraw/zinc/66/93/99/568669399.db2.gz BQOFNFLQUJVOOZ-REWPJTCUSA-N 1 2 432.467 3.677 40 0 IHABLO Nc1cc(-c2cncnc2[C@@H]2CCN(C(=O)CCCc3c[nH]c4ccccc34)C2)cc[nH+]1 ZINC000257254086 568690488 /nfs/dbraw/zinc/69/04/88/568690488.db2.gz KBNDWSKWLWUWEU-LJQANCHMSA-N 1 2 426.524 3.941 40 0 IHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257283654 568703987 /nfs/dbraw/zinc/70/39/87/568703987.db2.gz OZFQBNXSXSCWEY-RXVVDRJESA-N 1 2 449.935 3.932 40 0 IHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257283654 568703988 /nfs/dbraw/zinc/70/39/88/568703988.db2.gz OZFQBNXSXSCWEY-RXVVDRJESA-N 1 2 449.935 3.932 40 0 IHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)c(C)n1 ZINC000257321705 568720725 /nfs/dbraw/zinc/72/07/25/568720725.db2.gz WCVNRUSLFSBSLY-JOCHJYFZSA-N 1 2 429.952 3.783 40 0 IHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)c(C)n1 ZINC000257321705 568720729 /nfs/dbraw/zinc/72/07/29/568720729.db2.gz WCVNRUSLFSBSLY-JOCHJYFZSA-N 1 2 429.952 3.783 40 0 IHABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000257327466 568723414 /nfs/dbraw/zinc/72/34/14/568723414.db2.gz XBLMBSSRKFJZJK-HXUWFJFHSA-N 1 2 439.581 3.847 40 0 IHABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000257327466 568723415 /nfs/dbraw/zinc/72/34/15/568723415.db2.gz XBLMBSSRKFJZJK-HXUWFJFHSA-N 1 2 439.581 3.847 40 0 IHABLO COc1ccc(OC)c(CC[C@H](C)Nc2cc(-c3c4c(nn3C)CCCC4)[nH+]c(N)n2)c1 ZINC000257333048 568725689 /nfs/dbraw/zinc/72/56/89/568725689.db2.gz XZWSHMAQUQKOJK-HNNXBMFYSA-N 1 2 436.560 3.789 40 0 IHABLO Fc1cccc(CN2CC[N@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCOCC4)n3)C2)c1 ZINC000306132233 568767070 /nfs/dbraw/zinc/76/70/70/568767070.db2.gz LCJBDDJSNSBFQB-DEOSSOPVSA-N 1 2 449.574 3.579 40 0 IHABLO Fc1cccc(CN2CC[N@@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCOCC4)n3)C2)c1 ZINC000306132233 568767073 /nfs/dbraw/zinc/76/70/73/568767073.db2.gz LCJBDDJSNSBFQB-DEOSSOPVSA-N 1 2 449.574 3.579 40 0 IHABLO Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000329009655 568809277 /nfs/dbraw/zinc/80/92/77/568809277.db2.gz LWHOJOXMQUKCTR-UHFFFAOYSA-N 1 2 427.346 3.905 40 0 IHABLO OCCCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329030780 568809927 /nfs/dbraw/zinc/80/99/27/568809927.db2.gz QGMGKFBXEXXCBI-UHFFFAOYSA-N 1 2 431.256 3.517 40 0 IHABLO CCCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000245230557 569205475 /nfs/dbraw/zinc/20/54/75/569205475.db2.gz ULJQRIQFIWZTKL-SRCYTUNASA-N 1 2 434.536 3.856 40 0 IHABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000019703199 569232840 /nfs/dbraw/zinc/23/28/40/569232840.db2.gz CNEUJQKPRVATJC-LJQANCHMSA-N 1 2 447.564 3.962 40 0 IHABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000019703199 569232841 /nfs/dbraw/zinc/23/28/41/569232841.db2.gz CNEUJQKPRVATJC-LJQANCHMSA-N 1 2 447.564 3.962 40 0 IHABLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3c4cccnc4sc3C(=O)NC(C)C)C2)c1C ZINC000019703206 569232901 /nfs/dbraw/zinc/23/29/01/569232901.db2.gz HBLGEMCWTGDLFG-LJQANCHMSA-N 1 2 441.601 3.841 40 0 IHABLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3c4cccnc4sc3C(=O)NC(C)C)C2)c1C ZINC000019703206 569232902 /nfs/dbraw/zinc/23/29/02/569232902.db2.gz HBLGEMCWTGDLFG-LJQANCHMSA-N 1 2 441.601 3.841 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](CCCOc2cccc(C)c2)CCO1 ZINC000019703283 569233008 /nfs/dbraw/zinc/23/30/08/569233008.db2.gz PRTQERWNJFFBSO-IBGZPJMESA-N 1 2 425.554 3.807 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](CCCOc2cccc(C)c2)CCO1 ZINC000019703283 569233009 /nfs/dbraw/zinc/23/30/09/569233009.db2.gz PRTQERWNJFFBSO-IBGZPJMESA-N 1 2 425.554 3.807 40 0 IHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000261363285 569315756 /nfs/dbraw/zinc/31/57/56/569315756.db2.gz QSGRWCSAYMNBAI-SFHVURJKSA-O 1 2 431.925 3.979 40 0 IHABLO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000019766651 569329183 /nfs/dbraw/zinc/32/91/83/569329183.db2.gz LQYVUUSKDUCCCM-QFIPXVFZSA-N 1 2 447.514 3.630 40 0 IHABLO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000019766651 569329185 /nfs/dbraw/zinc/32/91/85/569329185.db2.gz LQYVUUSKDUCCCM-QFIPXVFZSA-N 1 2 447.514 3.630 40 0 IHABLO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000019766652 569329207 /nfs/dbraw/zinc/32/92/07/569329207.db2.gz LQYVUUSKDUCCCM-JOCHJYFZSA-N 1 2 447.514 3.630 40 0 IHABLO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000019766652 569329209 /nfs/dbraw/zinc/32/92/09/569329209.db2.gz LQYVUUSKDUCCCM-JOCHJYFZSA-N 1 2 447.514 3.630 40 0 IHABLO CC(C)[C@H](CO)Nc1nc(NCc2cccnc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329004783 569583411 /nfs/dbraw/zinc/58/34/11/569583411.db2.gz KTMWZEJDALMCIH-IBGZPJMESA-N 1 2 447.461 4.478 40 0 IHABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2ccncc2)[nH+]1 ZINC000328971664 569583419 /nfs/dbraw/zinc/58/34/19/569583419.db2.gz DRSWGGHBLAFMMD-IBGZPJMESA-N 1 2 442.361 4.342 40 0 IHABLO COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1OC ZINC000329025635 569583666 /nfs/dbraw/zinc/58/36/66/569583666.db2.gz PHBQZWAKXWQCFC-FQEVSTJZSA-N 1 2 436.512 4.111 40 0 IHABLO CC(=O)Nc1cccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348897 519735184 /nfs/dbraw/zinc/73/51/84/519735184.db2.gz RJFIWHUHUBTXCN-GOSISDBHSA-N 1 2 435.553 3.982 40 0 IHABLO CC(=O)Nc1cccc(-c2cccc([C@@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348897 519735186 /nfs/dbraw/zinc/73/51/86/519735186.db2.gz RJFIWHUHUBTXCN-GOSISDBHSA-N 1 2 435.553 3.982 40 0 IHABLO CC(=O)Nc1cccc(-c2cccc([C@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348898 519735400 /nfs/dbraw/zinc/73/54/00/519735400.db2.gz RJFIWHUHUBTXCN-SFHVURJKSA-N 1 2 435.553 3.982 40 0 IHABLO CC(=O)Nc1cccc(-c2cccc([C@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348898 519735402 /nfs/dbraw/zinc/73/54/02/519735402.db2.gz RJFIWHUHUBTXCN-SFHVURJKSA-N 1 2 435.553 3.982 40 0 IHABLO CCCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000035289904 521245506 /nfs/dbraw/zinc/24/55/06/521245506.db2.gz COROWWIUDGRCOB-OAQYLSRUSA-N 1 2 434.544 3.504 40 0 IHABLO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000035290724 521372406 /nfs/dbraw/zinc/37/24/06/521372406.db2.gz ASHWTZFSTJVRSP-HSZRJFAPSA-N 1 2 434.588 3.734 40 0 IHABLO COc1ccc(C2(O)CCN(c3nc(C)nc4c3C[N@H+](Cc3ccccc3)CC4)CC2)cc1 ZINC000012183304 523870372 /nfs/dbraw/zinc/87/03/72/523870372.db2.gz UMYPQYIZXAXWJX-UHFFFAOYSA-N 1 2 444.579 3.840 40 0 IHABLO COc1ccc(C2(O)CCN(c3nc(C)nc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)cc1 ZINC000012183304 523870376 /nfs/dbraw/zinc/87/03/76/523870376.db2.gz UMYPQYIZXAXWJX-UHFFFAOYSA-N 1 2 444.579 3.840 40 0 IHABLO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)c2cnn(-c3ccccc3F)c2n1 ZINC000036617016 526253137 /nfs/dbraw/zinc/25/31/37/526253137.db2.gz OPQRMUXULSTNLA-UHFFFAOYSA-N 1 2 447.489 3.965 40 0 IHABLO O=C(c1ccco1)N1CCN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3)n2)CC1 ZINC000012221839 526830829 /nfs/dbraw/zinc/83/08/29/526830829.db2.gz NNKQEFQJEUCDFU-UHFFFAOYSA-N 1 2 434.887 3.743 40 0 IHABLO COc1ccc(Cn2nnnc2[C@@H](CC(C)C)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000013504906 536592778 /nfs/dbraw/zinc/59/27/78/536592778.db2.gz AFAQCDNAIDSTNK-HSZRJFAPSA-N 1 2 438.551 3.779 40 0 IHABLO COc1ccc(CSC2=[NH+][C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)cc1 ZINC000032508588 556540108 /nfs/dbraw/zinc/54/01/08/556540108.db2.gz SQNYYHOQUWRLJC-RBUKOAKNSA-N 1 2 436.986 3.619 40 0 IHABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000013557201 556697436 /nfs/dbraw/zinc/69/74/36/556697436.db2.gz FLDJJCYEBBLJOE-NCXUSEDFSA-N 1 2 428.410 3.541 40 0 IHABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000013557201 556697437 /nfs/dbraw/zinc/69/74/37/556697437.db2.gz FLDJJCYEBBLJOE-NCXUSEDFSA-N 1 2 428.410 3.541 40 0 IHABLO Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@H](C)[NH+]4CCOCC4)C3)c(-c3ccncc3)c2c1 ZINC000019220139 556714504 /nfs/dbraw/zinc/71/45/04/556714504.db2.gz YASMEVCIGUFZJB-PZJWPPBQSA-N 1 2 432.568 3.965 40 0 IHABLO Cc1ccc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2c1 ZINC000000926073 556753556 /nfs/dbraw/zinc/75/35/56/556753556.db2.gz JXKXNOGRDBXOPA-UHFFFAOYSA-N 1 2 430.556 3.823 40 0 IHABLO Cc1ccc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2c1 ZINC000000926073 556753559 /nfs/dbraw/zinc/75/35/59/556753559.db2.gz JXKXNOGRDBXOPA-UHFFFAOYSA-N 1 2 430.556 3.823 40 0 IHABLO COc1cc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc(OC)c1OC ZINC000019453607 556764212 /nfs/dbraw/zinc/76/42/12/556764212.db2.gz QRKREHWOXFQAQG-UHFFFAOYSA-N 1 2 426.561 3.784 40 0 IHABLO COc1cc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc(OC)c1OC ZINC000019453607 556764215 /nfs/dbraw/zinc/76/42/15/556764215.db2.gz QRKREHWOXFQAQG-UHFFFAOYSA-N 1 2 426.561 3.784 40 0 IHABLO Cc1ccc2cc(C[N@H+](Cc3nnnn3Cc3ccco3)C3CCCC3)c(=O)[nH]c2c1C ZINC000001373137 556785589 /nfs/dbraw/zinc/78/55/89/556785589.db2.gz ARRNOKPNXGPYLE-UHFFFAOYSA-N 1 2 432.528 3.718 40 0 IHABLO Cc1ccc2cc(C[N@@H+](Cc3nnnn3Cc3ccco3)C3CCCC3)c(=O)[nH]c2c1C ZINC000001373137 556785591 /nfs/dbraw/zinc/78/55/91/556785591.db2.gz ARRNOKPNXGPYLE-UHFFFAOYSA-N 1 2 432.528 3.718 40 0 IHABLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000001380600 556796924 /nfs/dbraw/zinc/79/69/24/556796924.db2.gz KAGAOVLJMAZDAM-UHFFFAOYSA-N 1 2 445.445 3.928 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000006283150 556831327 /nfs/dbraw/zinc/83/13/27/556831327.db2.gz HRASPKUOFAMJDC-ZHRRBRCNSA-N 1 2 436.560 3.850 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000006283150 556831329 /nfs/dbraw/zinc/83/13/29/556831329.db2.gz HRASPKUOFAMJDC-ZHRRBRCNSA-N 1 2 436.560 3.850 40 0 IHABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)c(=O)[nH]c2c1C ZINC000006442550 556835924 /nfs/dbraw/zinc/83/59/24/556835924.db2.gz FIYDYXZSGBURPJ-JOCHJYFZSA-N 1 2 432.503 3.504 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)c(=O)[nH]c12 ZINC000006444090 556836717 /nfs/dbraw/zinc/83/67/17/556836717.db2.gz KGIJNAMUTSOYHK-JOCHJYFZSA-N 1 2 432.503 3.586 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 ZINC000008582812 556842411 /nfs/dbraw/zinc/84/24/11/556842411.db2.gz WIKFPJAULQHKJN-UHFFFAOYSA-N 1 2 428.540 3.816 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 ZINC000008582812 556842412 /nfs/dbraw/zinc/84/24/12/556842412.db2.gz WIKFPJAULQHKJN-UHFFFAOYSA-N 1 2 428.540 3.816 40 0 IHABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000008674174 556844038 /nfs/dbraw/zinc/84/40/38/556844038.db2.gz BPTGALQBEHFOTB-SIKLNZKXSA-N 1 2 436.560 3.544 40 0 IHABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008750793 556845416 /nfs/dbraw/zinc/84/54/16/556845416.db2.gz IMDBUTWSFLBRIY-OAQYLSRUSA-N 1 2 440.592 3.962 40 0 IHABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008750793 556845421 /nfs/dbraw/zinc/84/54/21/556845421.db2.gz IMDBUTWSFLBRIY-OAQYLSRUSA-N 1 2 440.592 3.962 40 0 IHABLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4ncccc4c3)C2)nc2c1CCCN2C ZINC000019706986 556865943 /nfs/dbraw/zinc/86/59/43/556865943.db2.gz BPDAFINCMYIQOT-LJQANCHMSA-N 1 2 430.556 3.534 40 0 IHABLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4ncccc4c3)C2)nc2c1CCCN2C ZINC000019706986 556865946 /nfs/dbraw/zinc/86/59/46/556865946.db2.gz BPDAFINCMYIQOT-LJQANCHMSA-N 1 2 430.556 3.534 40 0 IHABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 ZINC000019740648 556881297 /nfs/dbraw/zinc/88/12/97/556881297.db2.gz YIBZGEAPZUXCIL-QFIPXVFZSA-N 1 2 430.556 3.643 40 0 IHABLO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 ZINC000019740648 556881300 /nfs/dbraw/zinc/88/13/00/556881300.db2.gz YIBZGEAPZUXCIL-QFIPXVFZSA-N 1 2 430.556 3.643 40 0 IHABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(C)cc1)C(=O)CC2 ZINC000019740656 556881307 /nfs/dbraw/zinc/88/13/07/556881307.db2.gz MHEQFEGATDYZIR-HSZRJFAPSA-N 1 2 444.583 3.952 40 0 IHABLO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(C)cc1)C(=O)CC2 ZINC000019740656 556881310 /nfs/dbraw/zinc/88/13/10/556881310.db2.gz MHEQFEGATDYZIR-HSZRJFAPSA-N 1 2 444.583 3.952 40 0 IHABLO Cc1ccc(-c2ncc(C[N@@H+]3CCO[C@H](c4cc(C(N)=O)c5ccccc5n4)C3)cn2)cc1 ZINC000019762302 556906649 /nfs/dbraw/zinc/90/66/49/556906649.db2.gz DUZSFEQINTVVNR-DEOSSOPVSA-N 1 2 439.519 3.673 40 0 IHABLO Cc1ccc(-c2ncc(C[N@H+]3CCO[C@H](c4cc(C(N)=O)c5ccccc5n4)C3)cn2)cc1 ZINC000019762302 556906652 /nfs/dbraw/zinc/90/66/52/556906652.db2.gz DUZSFEQINTVVNR-DEOSSOPVSA-N 1 2 439.519 3.673 40 0 IHABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 ZINC000019819985 556923326 /nfs/dbraw/zinc/92/33/26/556923326.db2.gz SXQIIOCSOHTKMR-SFHVURJKSA-N 1 2 444.495 3.516 40 0 IHABLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000072353440 556926541 /nfs/dbraw/zinc/92/65/41/556926541.db2.gz BAPJBWHXLGXMRA-QGZVFWFLSA-N 1 2 427.530 3.702 40 0 IHABLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353443 556926870 /nfs/dbraw/zinc/92/68/70/556926870.db2.gz ALVSISIYFHVTLF-KRWDZBQOSA-N 1 2 427.530 3.702 40 0 IHABLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000072353441 556926921 /nfs/dbraw/zinc/92/69/21/556926921.db2.gz BAPJBWHXLGXMRA-KRWDZBQOSA-N 1 2 427.530 3.702 40 0 IHABLO CN1CC[NH+](Cc2ccc(-c3cn[nH]c3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000072360813 556933240 /nfs/dbraw/zinc/93/32/40/556933240.db2.gz MXCFYXRVLCZHJJ-NRFANRHFSA-N 1 2 439.604 3.939 40 0 IHABLO CC(=O)N1CCC(c2nc3c(c(NCC(C)(C)c4cccc(F)c4)n2)C[N@H+](C)CC3)CC1 ZINC000072372295 556941983 /nfs/dbraw/zinc/94/19/83/556941983.db2.gz DGFUJXGYWNMULS-UHFFFAOYSA-N 1 2 439.579 3.719 40 0 IHABLO CC(=O)N1CCC(c2nc3c(c(NCC(C)(C)c4cccc(F)c4)n2)C[N@@H+](C)CC3)CC1 ZINC000072372295 556941985 /nfs/dbraw/zinc/94/19/85/556941985.db2.gz DGFUJXGYWNMULS-UHFFFAOYSA-N 1 2 439.579 3.719 40 0 IHABLO CCn1cc(S(=O)(=O)N2CCC(c3ccc(Nc4[nH+]cccc4C)cn3)CC2)c(C)n1 ZINC000072374300 556947744 /nfs/dbraw/zinc/94/77/44/556947744.db2.gz BAVAWDCLMHPVBN-UHFFFAOYSA-N 1 2 440.573 3.622 40 0 IHABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)Cc3ccccc3)C[C@@]23CCCN(CC2CC2)C3=O)c1 ZINC000585107544 557038979 /nfs/dbraw/zinc/03/89/79/557038979.db2.gz ZKMYCXZGOXXTIE-NVQXNPDNSA-N 1 2 434.584 3.651 40 0 IHABLO COc1ccc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3OC)C2)cc1NCc1ccncc1 ZINC000585262094 557200673 /nfs/dbraw/zinc/20/06/73/557200673.db2.gz VWKAGPHUXCYEMU-QHCPKHFHSA-N 1 2 446.551 3.840 40 0 IHABLO COc1ccc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3OC)C2)cc1NCc1ccncc1 ZINC000585262094 557200677 /nfs/dbraw/zinc/20/06/77/557200677.db2.gz VWKAGPHUXCYEMU-QHCPKHFHSA-N 1 2 446.551 3.840 40 0 IHABLO COc1cccc(C[NH2+][C@H](c2cc(=O)n3[nH]c(C4CCOCC4)cc3n2)C(C)C)c1OC ZINC000100730050 557272636 /nfs/dbraw/zinc/27/26/36/557272636.db2.gz CTXGRNBYJHGAIB-QHCPKHFHSA-N 1 2 440.544 3.833 40 0 IHABLO COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223063797 557424292 /nfs/dbraw/zinc/42/42/92/557424292.db2.gz GPYYAEXIBBRPLK-PKTZIBPZSA-N 1 2 435.597 3.947 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1CC[NH+]1CCOCC1 ZINC000223156598 557440056 /nfs/dbraw/zinc/44/00/56/557440056.db2.gz ZSOCFEBTDRZOAC-GOTSBHOMSA-N 1 2 434.565 3.646 40 0 IHABLO CCOC(=O)C1=C(O)[NH+]=C(N2CCCCC2)N2[C@@H](c3ccccc3)Oc3ccccc3[C@H]12 ZINC000014671975 557449311 /nfs/dbraw/zinc/44/93/11/557449311.db2.gz CLQLSXXVURXKCC-QZNHQXDQSA-N 1 2 433.508 3.682 40 0 IHABLO COc1cccc2ccc(C[N@@H+]3CCO[C@@H](c4ccc(Nc5ncccn5)cn4)C3)nc21 ZINC000257200661 568665292 /nfs/dbraw/zinc/66/52/92/568665292.db2.gz AEIDBFJFVVVOII-JOCHJYFZSA-N 1 2 428.496 3.746 40 0 IHABLO COc1cccc2ccc(C[N@H+]3CCO[C@@H](c4ccc(Nc5ncccn5)cn4)C3)nc21 ZINC000257200661 568665296 /nfs/dbraw/zinc/66/52/96/568665296.db2.gz AEIDBFJFVVVOII-JOCHJYFZSA-N 1 2 428.496 3.746 40 0 IHABLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC([C@@]3(C)CN(Cc4ccccc4)C(=O)O3)CC2)cc1 ZINC000257201586 568665691 /nfs/dbraw/zinc/66/56/91/568665691.db2.gz AIFUNKGHZGGWLL-AREMUKBSSA-N 1 2 449.551 3.951 40 0 IHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@H](Cc2cccn3nccc23)CC1 ZINC000257203058 568666716 /nfs/dbraw/zinc/66/67/16/568666716.db2.gz AOMUHBNXZSSCPI-NRFANRHFSA-N 1 2 432.568 3.652 40 0 IHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000257223507 568675809 /nfs/dbraw/zinc/67/58/09/568675809.db2.gz DXQJYAPKIBQHIP-NRFANRHFSA-N 1 2 449.477 3.840 40 0 IHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000257223507 568675810 /nfs/dbraw/zinc/67/58/10/568675810.db2.gz DXQJYAPKIBQHIP-NRFANRHFSA-N 1 2 449.477 3.840 40 0 IHABLO COc1ccc(C2(C(=O)N3CCOC[C@H](Cc4ccc5[nH+]ccn5c4)C3)CCCC2)cc1 ZINC000257251686 568689363 /nfs/dbraw/zinc/68/93/63/568689363.db2.gz JRTGKUIRMYVICB-OAQYLSRUSA-N 1 2 433.552 3.872 40 0 IHABLO CCCN1CC[N@H+](Cc2cccnc2N(C)C)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000257258394 568692500 /nfs/dbraw/zinc/69/25/00/568692500.db2.gz KTRIWDSYSFKRIV-RUZDIDTESA-N 1 2 443.595 3.875 40 0 IHABLO CCCN1CC[N@@H+](Cc2cccnc2N(C)C)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000257258394 568692501 /nfs/dbraw/zinc/69/25/01/568692501.db2.gz KTRIWDSYSFKRIV-RUZDIDTESA-N 1 2 443.595 3.875 40 0 IHABLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cc1Cl ZINC000257259394 568692743 /nfs/dbraw/zinc/69/27/43/568692743.db2.gz KYEKRUSWFUOQKQ-GMAHTHKFSA-N 1 2 430.932 3.737 40 0 IHABLO COc1ccc(NC(=O)C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cc1Cl ZINC000257259394 568692744 /nfs/dbraw/zinc/69/27/44/568692744.db2.gz KYEKRUSWFUOQKQ-GMAHTHKFSA-N 1 2 430.932 3.737 40 0 IHABLO COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)C[N@H+](C)Cc4ccccn4)C3)o2)cc1 ZINC000257260202 568693245 /nfs/dbraw/zinc/69/32/45/568693245.db2.gz LBTMTUZEMTUEEY-HXUWFJFHSA-N 1 2 434.540 3.507 40 0 IHABLO COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)C[N@@H+](C)Cc4ccccn4)C3)o2)cc1 ZINC000257260202 568693246 /nfs/dbraw/zinc/69/32/46/568693246.db2.gz LBTMTUZEMTUEEY-HXUWFJFHSA-N 1 2 434.540 3.507 40 0 IHABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)sc2c1 ZINC000257271771 568698519 /nfs/dbraw/zinc/69/85/19/568698519.db2.gz MZSJLCDAICFADC-REWPJTCUSA-N 1 2 441.553 3.538 40 0 IHABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)sc2c1 ZINC000257271771 568698522 /nfs/dbraw/zinc/69/85/22/568698522.db2.gz MZSJLCDAICFADC-REWPJTCUSA-N 1 2 441.553 3.538 40 0 IHABLO COCCOc1cccc(C[N@@H+]2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 ZINC000257274936 568699968 /nfs/dbraw/zinc/69/99/68/568699968.db2.gz NNGUCSFJIGOMBZ-DEOSSOPVSA-N 1 2 449.555 3.831 40 0 IHABLO COCCOc1cccc(C[N@H+]2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 ZINC000257274936 568699971 /nfs/dbraw/zinc/69/99/71/568699971.db2.gz NNGUCSFJIGOMBZ-DEOSSOPVSA-N 1 2 449.555 3.831 40 0 IHABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 ZINC000257293802 568708460 /nfs/dbraw/zinc/70/84/60/568708460.db2.gz QRFLVRWAKDJFAK-DEOSSOPVSA-N 1 2 449.555 3.961 40 0 IHABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 ZINC000257293802 568708464 /nfs/dbraw/zinc/70/84/64/568708464.db2.gz QRFLVRWAKDJFAK-DEOSSOPVSA-N 1 2 449.555 3.961 40 0 IHABLO Cc1c(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cnn1C ZINC000257295788 568709223 /nfs/dbraw/zinc/70/92/23/568709223.db2.gz QZWGGJKNUXSHCD-NRFANRHFSA-N 1 2 449.477 3.665 40 0 IHABLO Cc1c(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cnn1C ZINC000257295788 568709227 /nfs/dbraw/zinc/70/92/27/568709227.db2.gz QZWGGJKNUXSHCD-NRFANRHFSA-N 1 2 449.477 3.665 40 0 IHABLO Cc1nnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4c(C)onc4C(C)C)CCO3)c2)s1 ZINC000257295407 568709269 /nfs/dbraw/zinc/70/92/69/568709269.db2.gz QYEMSIOOLIOKEY-QGZVFWFLSA-N 1 2 442.545 3.927 40 0 IHABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000257297305 568710099 /nfs/dbraw/zinc/71/00/99/568710099.db2.gz RGSLYUQSZMPWCT-HXUWFJFHSA-N 1 2 449.599 3.734 40 0 IHABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000257297305 568710104 /nfs/dbraw/zinc/71/01/04/568710104.db2.gz RGSLYUQSZMPWCT-HXUWFJFHSA-N 1 2 449.599 3.734 40 0 IHABLO Cc1nc(N)cc(C2(C)CCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)CC2)[nH+]1 ZINC000257316167 568718331 /nfs/dbraw/zinc/71/83/31/568718331.db2.gz VEKPPBLYICVDHL-UHFFFAOYSA-N 1 2 428.964 3.649 40 0 IHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)c(C)n1 ZINC000257321706 568720811 /nfs/dbraw/zinc/72/08/11/568720811.db2.gz WCVNRUSLFSBSLY-QFIPXVFZSA-N 1 2 429.952 3.783 40 0 IHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)c(C)n1 ZINC000257321706 568720812 /nfs/dbraw/zinc/72/08/12/568720812.db2.gz WCVNRUSLFSBSLY-QFIPXVFZSA-N 1 2 429.952 3.783 40 0 IHABLO COc1ccc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3OC)C2)cc1NCc1cccnc1 ZINC000257332833 568725478 /nfs/dbraw/zinc/72/54/78/568725478.db2.gz XYWQRJYFUSDKGU-QHCPKHFHSA-N 1 2 446.551 3.840 40 0 IHABLO COc1ccc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3OC)C2)cc1NCc1cccnc1 ZINC000257332833 568725480 /nfs/dbraw/zinc/72/54/80/568725480.db2.gz XYWQRJYFUSDKGU-QHCPKHFHSA-N 1 2 446.551 3.840 40 0 IHABLO O=C(C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(Br)cc1 ZINC000257335964 568726770 /nfs/dbraw/zinc/72/67/70/568726770.db2.gz YMPFKVWGBZVHPB-UNMCSNQZSA-N 1 2 445.357 3.838 40 0 IHABLO O=C(C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(Br)cc1 ZINC000257335964 568726771 /nfs/dbraw/zinc/72/67/71/568726771.db2.gz YMPFKVWGBZVHPB-UNMCSNQZSA-N 1 2 445.357 3.838 40 0 IHABLO COc1cccc(C(=O)N2CCC[C@@](C)(c3cc(N)nc(C)[nH+]3)C2)c1OCc1ccccn1 ZINC000257340431 568728792 /nfs/dbraw/zinc/72/87/92/568728792.db2.gz ZGCDOSWDJKODII-RUZDIDTESA-N 1 2 447.539 3.544 40 0 IHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257343639 568730148 /nfs/dbraw/zinc/73/01/48/568730148.db2.gz ZTVKVTKGOUQIKS-ICSRJNTNSA-N 1 2 426.410 3.687 40 0 IHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257343639 568730149 /nfs/dbraw/zinc/73/01/49/568730149.db2.gz ZTVKVTKGOUQIKS-ICSRJNTNSA-N 1 2 426.410 3.687 40 0 IHABLO CCCOc1ccccc1[C@@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364994 568733535 /nfs/dbraw/zinc/73/35/35/568733535.db2.gz PFFLHFXVLJGTPW-JOCHJYFZSA-O 1 2 437.545 3.951 40 0 IHABLO COc1ncccc1C[N@@H+]1CCN(CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306132152 568767146 /nfs/dbraw/zinc/76/71/46/568767146.db2.gz LABSLVDALNJFGI-QHCPKHFHSA-N 1 2 446.599 3.607 40 0 IHABLO COc1ncccc1C[N@H+]1CCN(CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306132152 568767148 /nfs/dbraw/zinc/76/71/48/568767148.db2.gz LABSLVDALNJFGI-QHCPKHFHSA-N 1 2 446.599 3.607 40 0 IHABLO COc1ncccc1CN1CC[N@H+](CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306132152 568767149 /nfs/dbraw/zinc/76/71/49/568767149.db2.gz LABSLVDALNJFGI-QHCPKHFHSA-N 1 2 446.599 3.607 40 0 IHABLO COc1ncccc1CN1CC[N@@H+](CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306132152 568767151 /nfs/dbraw/zinc/76/71/51/568767151.db2.gz LABSLVDALNJFGI-QHCPKHFHSA-N 1 2 446.599 3.607 40 0 IHABLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](c3c4cccnc4sc3C(=O)NC(C)C)C2)c1C ZINC000019703207 569232886 /nfs/dbraw/zinc/23/28/86/569232886.db2.gz HBLGEMCWTGDLFG-IBGZPJMESA-N 1 2 441.601 3.841 40 0 IHABLO CCn1nc(C)c(C[N@H+]2CCO[C@H](c3c4cccnc4sc3C(=O)NC(C)C)C2)c1C ZINC000019703207 569232887 /nfs/dbraw/zinc/23/28/87/569232887.db2.gz HBLGEMCWTGDLFG-IBGZPJMESA-N 1 2 441.601 3.841 40 0 IHABLO Cc1noc(C)c1COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1 ZINC000019764489 569238317 /nfs/dbraw/zinc/23/83/17/569238317.db2.gz RRPQNGHIEZMLJE-JOCHJYFZSA-N 1 2 435.528 3.795 40 0 IHABLO Cc1noc(C)c1COc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1 ZINC000019764489 569238318 /nfs/dbraw/zinc/23/83/18/569238318.db2.gz RRPQNGHIEZMLJE-JOCHJYFZSA-N 1 2 435.528 3.795 40 0 IHABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329058392 569583293 /nfs/dbraw/zinc/58/32/93/569583293.db2.gz WCMIHCLTUIZGAS-LJQANCHMSA-N 1 2 442.361 4.342 40 0 IHABLO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1NS(=O)(=O)c1ccccc1 ZINC000022913488 526253475 /nfs/dbraw/zinc/25/34/75/526253475.db2.gz RCOPCFWTFIXPAF-UHFFFAOYSA-N 1 2 449.576 3.754 40 0 IHABLO CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2c(C)nn(CC)c2C)CC1 ZINC000036616141 556516069 /nfs/dbraw/zinc/51/60/69/556516069.db2.gz BELDTIULTLKTFD-UHFFFAOYSA-N 1 2 449.603 3.510 40 0 IHABLO Cc1noc(C)c1C[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000514289270 556625467 /nfs/dbraw/zinc/62/54/67/556625467.db2.gz HAXISUGMVMOTJP-QNWVGRARSA-N 1 2 443.544 3.989 40 0 biogenic,in-vitro IHABLO Cc1noc(C)c1C[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000514289270 556625471 /nfs/dbraw/zinc/62/54/71/556625471.db2.gz HAXISUGMVMOTJP-QNWVGRARSA-N 1 2 443.544 3.989 40 0 biogenic,in-vitro IHABLO Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2F)C3)cc1 ZINC000019135286 556705715 /nfs/dbraw/zinc/70/57/15/556705715.db2.gz CXDSKJUDHOXGLP-HSZRJFAPSA-N 1 2 446.526 3.753 40 0 IHABLO Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2F)C3)cc1 ZINC000019135286 556705716 /nfs/dbraw/zinc/70/57/16/556705716.db2.gz CXDSKJUDHOXGLP-HSZRJFAPSA-N 1 2 446.526 3.753 40 0 IHABLO COc1ccccc1OCCc1cc([C@@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)nn1C ZINC000257271273 556713857 /nfs/dbraw/zinc/71/38/57/556713857.db2.gz MXPZANLQTCDTAH-DEOSSOPVSA-N 1 2 425.504 3.763 40 0 IHABLO COc1ccccc1OCCc1cc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)nn1C ZINC000257271273 556713861 /nfs/dbraw/zinc/71/38/61/556713861.db2.gz MXPZANLQTCDTAH-DEOSSOPVSA-N 1 2 425.504 3.763 40 0 IHABLO Cn1c(C[N@@H+]2CCN(C)C(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)nc2ccccc21 ZINC000019289950 556729703 /nfs/dbraw/zinc/72/97/03/556729703.db2.gz FIXLCGRZZPTXSB-HSZRJFAPSA-N 1 2 439.563 3.768 40 0 IHABLO Cn1c(C[N@H+]2CCN(C)C(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)nc2ccccc21 ZINC000019289950 556729704 /nfs/dbraw/zinc/72/97/04/556729704.db2.gz FIXLCGRZZPTXSB-HSZRJFAPSA-N 1 2 439.563 3.768 40 0 IHABLO COc1ccc2cc(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000927637 556754038 /nfs/dbraw/zinc/75/40/38/556754038.db2.gz POSWLFASUJCLEC-UHFFFAOYSA-N 1 2 444.539 3.516 40 0 IHABLO COc1ccc2cc(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000927637 556754041 /nfs/dbraw/zinc/75/40/41/556754041.db2.gz POSWLFASUJCLEC-UHFFFAOYSA-N 1 2 444.539 3.516 40 0 IHABLO COc1ccc2cc(C[N@H+](Cc3nnnn3C3CCCCC3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000927567 556754094 /nfs/dbraw/zinc/75/40/94/556754094.db2.gz GICAJNLDJHUHQC-UHFFFAOYSA-N 1 2 436.560 3.973 40 0 IHABLO COc1ccc2cc(C[N@@H+](Cc3nnnn3C3CCCCC3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000927567 556754096 /nfs/dbraw/zinc/75/40/96/556754096.db2.gz GICAJNLDJHUHQC-UHFFFAOYSA-N 1 2 436.560 3.973 40 0 IHABLO CCCN1CC[N@H+](Cc2nccn2CC)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502851 556773913 /nfs/dbraw/zinc/77/39/13/556773913.db2.gz HJJDJLOMTPYWJU-XMMPIXPASA-N 1 2 431.584 3.878 40 0 IHABLO CCCN1CC[N@@H+](Cc2nccn2CC)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502851 556773915 /nfs/dbraw/zinc/77/39/15/556773915.db2.gz HJJDJLOMTPYWJU-XMMPIXPASA-N 1 2 431.584 3.878 40 0 IHABLO CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC000019528778 556789146 /nfs/dbraw/zinc/78/91/46/556789146.db2.gz NNUAPUPGLBJBQZ-HOYKHHGWSA-N 1 2 436.581 3.770 40 0 IHABLO CCN(CC)S(=O)(=O)N1CCC(c2cc(Cc3ccc(OC)cc3)cc(C)[nH+]2)CC1 ZINC000019687049 556841958 /nfs/dbraw/zinc/84/19/58/556841958.db2.gz VAFMWSSCQSLMET-UHFFFAOYSA-N 1 2 431.602 3.755 40 0 IHABLO CC(C)Nc1n[nH]c2nc([C@H]3CCCN(C(=O)C[N@H+](C)Cc4ccccc4F)C3)ccc12 ZINC000019742313 556886238 /nfs/dbraw/zinc/88/62/38/556886238.db2.gz HRRHYSWCMDLWGI-SFHVURJKSA-N 1 2 438.551 3.755 40 0 IHABLO CC(C)Nc1n[nH]c2nc([C@H]3CCCN(C(=O)C[N@@H+](C)Cc4ccccc4F)C3)ccc12 ZINC000019742313 556886240 /nfs/dbraw/zinc/88/62/40/556886240.db2.gz HRRHYSWCMDLWGI-SFHVURJKSA-N 1 2 438.551 3.755 40 0 IHABLO Cc1cc(NC(=O)C[NH+]2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)no1 ZINC000019743994 556889364 /nfs/dbraw/zinc/88/93/64/556889364.db2.gz RAAZVHZAJZWEOJ-JOCHJYFZSA-N 1 2 438.572 3.505 40 0 IHABLO CCOCc1cc(C[N@@H+]2CCC[C@@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)ccc1OC ZINC000019756144 556899725 /nfs/dbraw/zinc/89/97/25/556899725.db2.gz FJOQCZPHYDRQHR-JOCHJYFZSA-N 1 2 438.572 3.903 40 0 IHABLO CCOCc1cc(C[N@H+]2CCC[C@@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)ccc1OC ZINC000019756144 556899726 /nfs/dbraw/zinc/89/97/26/556899726.db2.gz FJOQCZPHYDRQHR-JOCHJYFZSA-N 1 2 438.572 3.903 40 0 IHABLO CCc1ccc(NC(=O)C[C@@H]2C(=O)N(CCCn3cc[nH+]c3)c3nc4ccccc4n32)cc1 ZINC000019819465 556922923 /nfs/dbraw/zinc/92/29/23/556922923.db2.gz FEMLTSWYWYVEGG-JOCHJYFZSA-N 1 2 442.523 3.802 40 0 IHABLO COCCNC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000072352517 556924584 /nfs/dbraw/zinc/92/45/84/556924584.db2.gz PRYLMMBIKBEAHN-LJQANCHMSA-N 1 2 428.529 3.990 40 0 IHABLO COCCNC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000072352517 556924585 /nfs/dbraw/zinc/92/45/85/556924585.db2.gz PRYLMMBIKBEAHN-LJQANCHMSA-N 1 2 428.529 3.990 40 0 IHABLO Cc1[nH+]ccn1CCC(=O)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371534 556939502 /nfs/dbraw/zinc/93/95/02/556939502.db2.gz OOPLJKGIFLZECB-QGZVFWFLSA-N 1 2 427.936 3.596 40 0 IHABLO O=C(C[N@H+]1CCC[C@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1)Nc1ccccn1 ZINC000072378334 556956926 /nfs/dbraw/zinc/95/69/26/556956926.db2.gz KURIKTFSFMFJRQ-FQEVSTJZSA-N 1 2 425.920 3.855 40 0 IHABLO O=C(C[N@@H+]1CCC[C@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1)Nc1ccccn1 ZINC000072378334 556956929 /nfs/dbraw/zinc/95/69/29/556956929.db2.gz KURIKTFSFMFJRQ-FQEVSTJZSA-N 1 2 425.920 3.855 40 0 IHABLO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)Cc2cccc(OC)c2)n1 ZINC000072391882 556962795 /nfs/dbraw/zinc/96/27/95/556962795.db2.gz FPPJIMUGQBXDTE-OAQYLSRUSA-N 1 2 445.567 3.675 40 0 IHABLO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)Cc2cccc(OC)c2)n1 ZINC000072391882 556962797 /nfs/dbraw/zinc/96/27/97/556962797.db2.gz FPPJIMUGQBXDTE-OAQYLSRUSA-N 1 2 445.567 3.675 40 0 IHABLO CC(=O)N1Cc2ccccc2OC2(CC[NH+](CC(=O)Nc3c(C)cc(C)cc3C)CC2)C1 ZINC000072394429 556965810 /nfs/dbraw/zinc/96/58/10/556965810.db2.gz QGHRKGJAZBONSL-UHFFFAOYSA-N 1 2 435.568 3.826 40 0 IHABLO CCCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000020150657 556991170 /nfs/dbraw/zinc/99/11/70/556991170.db2.gz ULJQRIQFIWZTKL-YGWSKSRPSA-N 1 2 434.536 3.856 40 0 IHABLO COc1cccc(C[N@@H+]2Cc3ccccc3[C@]23CO[C@H](C(=O)N(C)Cc2ccccn2)C3)c1 ZINC000096143957 557171456 /nfs/dbraw/zinc/17/14/56/557171456.db2.gz YRLILHNLLBKCDK-BDYUSTAISA-N 1 2 443.547 3.749 40 0 IHABLO COc1cccc(C[N@H+]2Cc3ccccc3[C@]23CO[C@H](C(=O)N(C)Cc2ccccn2)C3)c1 ZINC000096143957 557171460 /nfs/dbraw/zinc/17/14/60/557171460.db2.gz YRLILHNLLBKCDK-BDYUSTAISA-N 1 2 443.547 3.749 40 0 IHABLO CC[N@@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1cscn1)CC2 ZINC000096144993 557174099 /nfs/dbraw/zinc/17/40/99/557174099.db2.gz MIKUUAHSDDVLND-UHFFFAOYSA-N 1 2 425.533 3.613 40 0 IHABLO CC[N@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1cscn1)CC2 ZINC000096144993 557174101 /nfs/dbraw/zinc/17/41/01/557174101.db2.gz MIKUUAHSDDVLND-UHFFFAOYSA-N 1 2 425.533 3.613 40 0 IHABLO Cc1nc(Cn2cc(-c3cc(C(=O)N4CCC[C@H](O)C4)c4ccccn34)[nH+]c2C)cs1 ZINC000096154964 557179089 /nfs/dbraw/zinc/17/90/89/557179089.db2.gz GECVVZUYBZVBSN-SFHVURJKSA-N 1 2 435.553 3.521 40 0 IHABLO CCCCNC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CC[N@H+]2Cc1ccccc1 ZINC000096230411 557184979 /nfs/dbraw/zinc/18/49/79/557184979.db2.gz VLSGJXODGCAQKD-UHFFFAOYSA-N 1 2 449.599 3.583 40 0 IHABLO CCCCNC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CC[N@@H+]2Cc1ccccc1 ZINC000096230411 557184982 /nfs/dbraw/zinc/18/49/82/557184982.db2.gz VLSGJXODGCAQKD-UHFFFAOYSA-N 1 2 449.599 3.583 40 0 IHABLO C[C@@]1(O)CC[N@H+](Cc2ccncc2F)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383130 557237421 /nfs/dbraw/zinc/23/74/21/557237421.db2.gz OFKLEHJOJSBRRY-SONWIMMPSA-N 1 2 437.490 3.856 40 0 biogenic,in-vitro IHABLO C[C@@]1(O)CC[N@@H+](Cc2ccncc2F)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383130 557237425 /nfs/dbraw/zinc/23/74/25/557237425.db2.gz OFKLEHJOJSBRRY-SONWIMMPSA-N 1 2 437.490 3.856 40 0 biogenic,in-vitro IHABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](Cc5cccc(C)c5)CC4)[nH]n3c(=O)c2C1 ZINC000100243061 557255051 /nfs/dbraw/zinc/25/50/51/557255051.db2.gz TZWDBXTVKQUMML-UHFFFAOYSA-N 1 2 447.583 3.808 40 0 IHABLO COc1ccc(C[NH2+][C@@H](c2cc(=O)n3[nH]c(C4CCOCC4)cc3n2)C(C)C)cc1OC ZINC000100730056 557272651 /nfs/dbraw/zinc/27/26/51/557272651.db2.gz JCAOFSIXCNWWME-XMMPIXPASA-N 1 2 440.544 3.833 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500523 557324003 /nfs/dbraw/zinc/32/40/03/557324003.db2.gz NVTKWFVMWKBGGU-QFIPXVFZSA-N 1 2 438.576 3.520 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500523 557324005 /nfs/dbraw/zinc/32/40/05/557324005.db2.gz NVTKWFVMWKBGGU-QFIPXVFZSA-N 1 2 438.576 3.520 40 0 IHABLO CCOC(=O)C1=C(O)[NH+]=C(N2CCCCC2)N2[C@@H](c3ccccc3)Oc3ccccc3[C@@H]12 ZINC000014671977 557449278 /nfs/dbraw/zinc/44/92/78/557449278.db2.gz CLQLSXXVURXKCC-QNWVGRARSA-N 1 2 433.508 3.682 40 0 IHABLO CCCOCc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1OCC ZINC000224709719 557643222 /nfs/dbraw/zinc/64/32/22/557643222.db2.gz FAESFYUAZDMKDT-UHFFFAOYSA-N 1 2 440.540 3.699 40 0 IHABLO Cc1nnc(SCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)[nH]1 ZINC000225906990 557790488 /nfs/dbraw/zinc/79/04/88/557790488.db2.gz RRQYAXITOVFULX-CQSZACIVSA-N 1 2 428.389 3.540 40 0 IHABLO Cc1nnc(SCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)[nH]1 ZINC000225906990 557790492 /nfs/dbraw/zinc/79/04/92/557790492.db2.gz RRQYAXITOVFULX-CQSZACIVSA-N 1 2 428.389 3.540 40 0 IHABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000015674232 560230955 /nfs/dbraw/zinc/23/09/55/560230955.db2.gz PFKONWOILOWFFS-QAPCUYQASA-N 1 2 435.402 3.952 40 0 biogenic,in-vitro IHABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000015674232 560230956 /nfs/dbraw/zinc/23/09/56/560230956.db2.gz PFKONWOILOWFFS-QAPCUYQASA-N 1 2 435.402 3.952 40 0 biogenic,in-vitro IHABLO COc1ccc(C(=O)N2CCC[C@](C)(c3cc(N)nc(C)[nH+]3)C2)cc1OCc1ccccn1 ZINC000257204732 568667264 /nfs/dbraw/zinc/66/72/64/568667264.db2.gz AWBHGDXSQOXYTI-VWLOTQADSA-N 1 2 447.539 3.544 40 0 IHABLO Cc1nc2cc([C@@H]3CCC[N@@H+]3Cc3ccc(O)cc3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257210248 568669630 /nfs/dbraw/zinc/66/96/30/568669630.db2.gz BTUAFPOEFKRDNY-QHCPKHFHSA-N 1 2 433.556 3.600 40 0 IHABLO Cc1nc2cc([C@@H]3CCC[N@H+]3Cc3ccc(O)cc3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257210248 568669635 /nfs/dbraw/zinc/66/96/35/568669635.db2.gz BTUAFPOEFKRDNY-QHCPKHFHSA-N 1 2 433.556 3.600 40 0 IHABLO Cc1cc(Nc2[nH+]cccc2C)cc([C@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)n1 ZINC000257227195 568677650 /nfs/dbraw/zinc/67/76/50/568677650.db2.gz FOBGYTOJLZOBKA-JOCHJYFZSA-N 1 2 435.503 3.988 40 0 IHABLO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCO[C@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257231629 568679783 /nfs/dbraw/zinc/67/97/83/568679783.db2.gz GHNWHMCNYISDQL-DEOSSOPVSA-N 1 2 441.535 3.686 40 0 IHABLO Cc1nc2cc(C)ccn2c1C[N@H+]1CCO[C@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257231629 568679786 /nfs/dbraw/zinc/67/97/86/568679786.db2.gz GHNWHMCNYISDQL-DEOSSOPVSA-N 1 2 441.535 3.686 40 0 IHABLO Cc1cccc(Nc2cccc([C@H]3CN(C(=O)C[N@@H+](C)Cc4ccccc4F)CCO3)n2)n1 ZINC000257246412 568686704 /nfs/dbraw/zinc/68/67/04/568686704.db2.gz IUAFYOKUBPZDJD-JOCHJYFZSA-N 1 2 449.530 3.700 40 0 IHABLO Cc1cccc(Nc2cccc([C@H]3CN(C(=O)C[N@H+](C)Cc4ccccc4F)CCO3)n2)n1 ZINC000257246412 568686707 /nfs/dbraw/zinc/68/67/07/568686707.db2.gz IUAFYOKUBPZDJD-JOCHJYFZSA-N 1 2 449.530 3.700 40 0 IHABLO Nc1cc(-c2cncnc2[C@H]2CCN(C(=O)CCCc3c[nH]c4ccccc34)C2)cc[nH+]1 ZINC000257254085 568690452 /nfs/dbraw/zinc/69/04/52/568690452.db2.gz KBNDWSKWLWUWEU-IBGZPJMESA-N 1 2 426.524 3.941 40 0 IHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257264654 568695177 /nfs/dbraw/zinc/69/51/77/568695177.db2.gz LVLOLRDGEAXOOM-ICSRJNTNSA-N 1 2 426.410 3.687 40 0 IHABLO COc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1C[NH+]1CCOCC1 ZINC000257268111 568696756 /nfs/dbraw/zinc/69/67/56/568696756.db2.gz MKGYNSOGMFMSBE-RYTFILGJSA-N 1 2 430.589 3.688 40 0 IHABLO Cc1cccc(C[N@@H+]2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NCC4CC4)c(C)n3n2)n1 ZINC000257279146 568701806 /nfs/dbraw/zinc/70/18/06/568701806.db2.gz OFEFAUMKSYPQBY-DEOSSOPVSA-N 1 2 446.599 3.845 40 0 IHABLO Cc1cccc(C[N@H+]2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NCC4CC4)c(C)n3n2)n1 ZINC000257279146 568701808 /nfs/dbraw/zinc/70/18/08/568701808.db2.gz OFEFAUMKSYPQBY-DEOSSOPVSA-N 1 2 446.599 3.845 40 0 IHABLO O=C(C[N@@H+]1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2)Nc1ccccc1-c1ccccc1 ZINC000257286581 568705209 /nfs/dbraw/zinc/70/52/09/568705209.db2.gz PMCWNYPWUKZFCX-MHZLTWQESA-N 1 2 441.531 3.800 40 0 IHABLO O=C(C[N@H+]1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2)Nc1ccccc1-c1ccccc1 ZINC000257286581 568705211 /nfs/dbraw/zinc/70/52/11/568705211.db2.gz PMCWNYPWUKZFCX-MHZLTWQESA-N 1 2 441.531 3.800 40 0 IHABLO Cc1nnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4c(C)onc4C(C)C)CCO3)c2)s1 ZINC000257295406 568709330 /nfs/dbraw/zinc/70/93/30/568709330.db2.gz QYEMSIOOLIOKEY-KRWDZBQOSA-N 1 2 442.545 3.927 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCC[N@@H+]3Cc3cccnc3)nn2c1C ZINC000257307925 568714658 /nfs/dbraw/zinc/71/46/58/568714658.db2.gz TUSYRCLUIDRSIS-HSZRJFAPSA-N 1 2 434.588 3.927 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCC[N@H+]3Cc3cccnc3)nn2c1C ZINC000257307925 568714660 /nfs/dbraw/zinc/71/46/60/568714660.db2.gz TUSYRCLUIDRSIS-HSZRJFAPSA-N 1 2 434.588 3.927 40 0 IHABLO Cn1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2n[nH]cc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000257316196 568718350 /nfs/dbraw/zinc/71/83/50/568718350.db2.gz VEOGMUKNXGINQT-QGZVFWFLSA-N 1 2 432.450 3.995 40 0 IHABLO Cn1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2n[nH]cc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000257316196 568718352 /nfs/dbraw/zinc/71/83/52/568718352.db2.gz VEOGMUKNXGINQT-QGZVFWFLSA-N 1 2 432.450 3.995 40 0 IHABLO COc1cc2c(cc1CNc1cc(-c3c[nH]nc3[C@H]3CCN(C(C)=O)C3)cc[nH+]1)CCC2 ZINC000257319072 568719784 /nfs/dbraw/zinc/71/97/84/568719784.db2.gz VQOOYZBMUGFICK-FQEVSTJZSA-N 1 2 431.540 3.917 40 0 IHABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000257327465 568722966 /nfs/dbraw/zinc/72/29/66/568722966.db2.gz XBLMBSSRKFJZJK-FQEVSTJZSA-N 1 2 439.581 3.847 40 0 IHABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000257327465 568722970 /nfs/dbraw/zinc/72/29/70/568722970.db2.gz XBLMBSSRKFJZJK-FQEVSTJZSA-N 1 2 439.581 3.847 40 0 IHABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)c1 ZINC000257330692 568724721 /nfs/dbraw/zinc/72/47/21/568724721.db2.gz XPMVPKOBPRHPBS-JOCHJYFZSA-N 1 2 437.544 3.596 40 0 IHABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)c1 ZINC000257330692 568724723 /nfs/dbraw/zinc/72/47/23/568724723.db2.gz XPMVPKOBPRHPBS-JOCHJYFZSA-N 1 2 437.544 3.596 40 0 IHABLO COc1cccc(C(=O)N2CCO[C@@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)[nH+]3)C2)c1 ZINC000257333711 568726110 /nfs/dbraw/zinc/72/61/10/568726110.db2.gz YCSNIBDRGICPAA-JOCHJYFZSA-N 1 2 433.512 3.763 40 0 IHABLO O=C(NC1CCCC1)C1=NO[C@@]2(C1)C[N@H+](Cc1ccccc1)CC[C@@H]2NCc1ccccc1 ZINC000306136383 568769438 /nfs/dbraw/zinc/76/94/38/568769438.db2.gz PSBPBXABMBDRSF-BDYUSTAISA-N 1 2 446.595 3.625 40 0 IHABLO O=C(NC1CCCC1)C1=NO[C@@]2(C1)C[N@@H+](Cc1ccccc1)CC[C@@H]2NCc1ccccc1 ZINC000306136383 568769439 /nfs/dbraw/zinc/76/94/39/568769439.db2.gz PSBPBXABMBDRSF-BDYUSTAISA-N 1 2 446.595 3.625 40 0 IHABLO COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3ccc(-c4ccc(N)[nH+]c4)cn3)C1)CO2 ZINC000019692464 569228046 /nfs/dbraw/zinc/22/80/46/569228046.db2.gz DXSIFXYTOWFSDW-XMMPIXPASA-N 1 2 430.508 3.584 40 0 IHABLO COc1ccc2c(c1)C=C(CN1CCO[C@H](c3ccc(-c4ccc(N)[nH+]c4)cn3)C1)CO2 ZINC000019692465 569228067 /nfs/dbraw/zinc/22/80/67/569228067.db2.gz DXSIFXYTOWFSDW-DEOSSOPVSA-N 1 2 430.508 3.584 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1CN(c2cc(C)[nH+]c(-c3ccccc3)n2)CCO1 ZINC000019702637 569232280 /nfs/dbraw/zinc/23/22/80/569232280.db2.gz DBRFHECFWYFLLB-GOSISDBHSA-N 1 2 445.548 3.999 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)CCO1 ZINC000019702906 569232533 /nfs/dbraw/zinc/23/25/33/569232533.db2.gz DECACTWNFGFZAN-SFHVURJKSA-N 1 2 429.517 3.637 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)CCO1 ZINC000019702906 569232534 /nfs/dbraw/zinc/23/25/34/569232534.db2.gz DECACTWNFGFZAN-SFHVURJKSA-N 1 2 429.517 3.637 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2c(C)nn(C(C)C)c2C)CCO1 ZINC000019703212 569232883 /nfs/dbraw/zinc/23/28/83/569232883.db2.gz URWJSVCIIMJBPR-SFHVURJKSA-N 1 2 427.574 3.624 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2c(C)nn(C(C)C)c2C)CCO1 ZINC000019703212 569232884 /nfs/dbraw/zinc/23/28/84/569232884.db2.gz URWJSVCIIMJBPR-SFHVURJKSA-N 1 2 427.574 3.624 40 0 IHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1ccc(O)cc1 ZINC000261365451 569315905 /nfs/dbraw/zinc/31/59/05/569315905.db2.gz SJMYJCOVQNRQMR-INIZCTEOSA-O 1 2 432.323 3.689 40 0 IHABLO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCc3cc(OC)c(OC)cc3[C@H]2C)cc1 ZINC000008766592 132293545 /nfs/dbraw/zinc/29/35/45/132293545.db2.gz OISPENVJAJUABY-OAHLLOKOSA-N 1 2 431.496 3.965 40 0 IHABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000013504879 132348385 /nfs/dbraw/zinc/34/83/85/132348385.db2.gz HNOIRYGOPOOPBG-NRFANRHFSA-N 1 2 440.979 3.965 40 0 IHABLO CCNc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000020801848 520358657 /nfs/dbraw/zinc/35/86/57/520358657.db2.gz IMFGZQKIWJKGRI-LJQANCHMSA-N 1 2 428.540 3.543 40 0 IHABLO CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000022485802 520899048 /nfs/dbraw/zinc/89/90/48/520899048.db2.gz KDGSWBCRNHBYSF-UHFFFAOYSA-N 1 2 427.570 3.825 40 0 IHABLO O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000001016096 555602539 /nfs/dbraw/zinc/60/25/39/555602539.db2.gz WVNCDUZRRXKLQQ-UHFFFAOYSA-N 1 2 443.547 3.744 40 0 IHABLO CCOc1cc(C(=S)NCC[NH+]2CCOCC2)ccc1OCc1ccccc1Cl ZINC000408573277 555923369 /nfs/dbraw/zinc/92/33/69/555923369.db2.gz JORZBPSRUKYOQT-UHFFFAOYSA-N 1 2 434.989 3.915 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006196777 556080200 /nfs/dbraw/zinc/08/02/00/556080200.db2.gz IIIOSNOZMSVTDP-AOMKIAJQSA-N 1 2 436.560 3.850 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006196777 556080201 /nfs/dbraw/zinc/08/02/01/556080201.db2.gz IIIOSNOZMSVTDP-AOMKIAJQSA-N 1 2 436.560 3.850 40 0 IHABLO OC1CC[NH+]([C@@H]2c3cc(-c4ccccc4)cnc3Sc3nc(-c4cccnc4)nn32)CC1 ZINC000013566591 556519506 /nfs/dbraw/zinc/51/95/06/556519506.db2.gz RCYCTVVEMTVTBP-QHCPKHFHSA-N 1 2 442.548 3.870 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 ZINC000257279085 556714469 /nfs/dbraw/zinc/71/44/69/556714469.db2.gz OEYUEKBGNYZJTE-NOZRDPDXSA-N 1 2 435.499 3.913 40 0 IHABLO Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@@H](C)[NH+]4CCOCC4)C3)c(-c3ccncc3)c2c1 ZINC000019220143 556714471 /nfs/dbraw/zinc/71/44/71/556714471.db2.gz YASMEVCIGUFZJB-CTNGQTDRSA-N 1 2 432.568 3.965 40 0 IHABLO O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCC[N@@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019343464 556741293 /nfs/dbraw/zinc/74/12/93/556741293.db2.gz LRMOPCKHYDECFO-HXUWFJFHSA-N 1 2 438.528 3.506 40 0 IHABLO O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCC[N@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019343464 556741294 /nfs/dbraw/zinc/74/12/94/556741294.db2.gz LRMOPCKHYDECFO-HXUWFJFHSA-N 1 2 438.528 3.506 40 0 IHABLO Nc1ncc(C[N@@H+](Cc2ccco2)C[C@@H](O)Cn2c3ccccc3c3ccccc32)cn1 ZINC000019376180 556751930 /nfs/dbraw/zinc/75/19/30/556751930.db2.gz QQHCFHPZTVMADO-LJQANCHMSA-N 1 2 427.508 3.823 40 0 IHABLO Nc1ncc(C[N@H+](Cc2ccco2)C[C@@H](O)Cn2c3ccccc3c3ccccc32)cn1 ZINC000019376180 556751933 /nfs/dbraw/zinc/75/19/33/556751933.db2.gz QQHCFHPZTVMADO-LJQANCHMSA-N 1 2 427.508 3.823 40 0 IHABLO COC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000001358869 556785819 /nfs/dbraw/zinc/78/58/19/556785819.db2.gz UCRDRUPEHDSGPC-UHFFFAOYSA-N 1 2 426.904 3.821 40 0 IHABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)cc2c1 ZINC000006301150 556832121 /nfs/dbraw/zinc/83/21/21/556832121.db2.gz CUOMHDUCJMTDGF-JOCHJYFZSA-N 1 2 432.503 3.504 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)c(=O)[nH]c12 ZINC000006443804 556836386 /nfs/dbraw/zinc/83/63/86/556836386.db2.gz KGIJNAMUTSOYHK-QFIPXVFZSA-N 1 2 432.503 3.586 40 0 IHABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000008674176 556844111 /nfs/dbraw/zinc/84/41/11/556844111.db2.gz BPTGALQBEHFOTB-DENIHFKCSA-N 1 2 436.560 3.544 40 0 IHABLO Cc1nc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3F)C2)nc2c1CCCN2CC1CC1 ZINC000019706978 556866005 /nfs/dbraw/zinc/86/60/05/556866005.db2.gz ZJSPZFADRXDCFZ-IBGZPJMESA-N 1 2 437.563 3.905 40 0 IHABLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3F)C2)nc2c1CCCN2CC1CC1 ZINC000019706978 556866009 /nfs/dbraw/zinc/86/60/09/556866009.db2.gz ZJSPZFADRXDCFZ-IBGZPJMESA-N 1 2 437.563 3.905 40 0 IHABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1c(C)[nH]c3ccc(F)cc31)CC2 ZINC000019710813 556874260 /nfs/dbraw/zinc/87/42/60/556874260.db2.gz HPGQBUNQHOGQTL-JOCHJYFZSA-N 1 2 436.535 3.689 40 0 IHABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1c(C)[nH]c3ccc(F)cc31)CC2 ZINC000019710813 556874262 /nfs/dbraw/zinc/87/42/62/556874262.db2.gz HPGQBUNQHOGQTL-JOCHJYFZSA-N 1 2 436.535 3.689 40 0 IHABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1c(C)[nH]c3ccc(F)cc31)CC2 ZINC000019710812 556874290 /nfs/dbraw/zinc/87/42/90/556874290.db2.gz HPGQBUNQHOGQTL-QFIPXVFZSA-N 1 2 436.535 3.689 40 0 IHABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1c(C)[nH]c3ccc(F)cc31)CC2 ZINC000019710812 556874293 /nfs/dbraw/zinc/87/42/93/556874293.db2.gz HPGQBUNQHOGQTL-QFIPXVFZSA-N 1 2 436.535 3.689 40 0 IHABLO Cc1cc(C(F)(F)F)n2nc(C(=O)N3CC[N@@H+](Cc4ccco4)C[C@@H]3C(C)C)cc2n1 ZINC000072324114 556902233 /nfs/dbraw/zinc/90/22/33/556902233.db2.gz SYHSVYOPLOLIMQ-QGZVFWFLSA-N 1 2 435.450 3.632 40 0 IHABLO Cc1cc(C(F)(F)F)n2nc(C(=O)N3CC[N@H+](Cc4ccco4)C[C@@H]3C(C)C)cc2n1 ZINC000072324114 556902238 /nfs/dbraw/zinc/90/22/38/556902238.db2.gz SYHSVYOPLOLIMQ-QGZVFWFLSA-N 1 2 435.450 3.632 40 0 IHABLO COc1ccc(F)c(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3nccs3)CC2)c1 ZINC000072340620 556912482 /nfs/dbraw/zinc/91/24/82/556912482.db2.gz AJHHHMSDRLJOPF-OAQYLSRUSA-N 1 2 431.508 3.834 40 0 IHABLO Cc1nc2c(c(N(Cc3ccccn3)C[C@H]3CCCO3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000072347596 556918511 /nfs/dbraw/zinc/91/85/11/556918511.db2.gz ZYTGSWRMWDKUDF-HSZRJFAPSA-N 1 2 429.568 3.924 40 0 IHABLO Cc1nc2c(c(N(Cc3ccccn3)C[C@H]3CCCO3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000072347596 556918514 /nfs/dbraw/zinc/91/85/14/556918514.db2.gz ZYTGSWRMWDKUDF-HSZRJFAPSA-N 1 2 429.568 3.924 40 0 IHABLO COCCCN1C(=O)CCc2c(C)nc(C[N@H+](C)Cc3c(C)cc(OC)c(C)c3C)nc21 ZINC000072370966 556936913 /nfs/dbraw/zinc/93/69/13/556936913.db2.gz XLAXNTWIVKYYAI-UHFFFAOYSA-N 1 2 440.588 3.667 40 0 IHABLO COCCCN1C(=O)CCc2c(C)nc(C[N@@H+](C)Cc3c(C)cc(OC)c(C)c3C)nc21 ZINC000072370966 556936915 /nfs/dbraw/zinc/93/69/15/556936915.db2.gz XLAXNTWIVKYYAI-UHFFFAOYSA-N 1 2 440.588 3.667 40 0 IHABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3cccc(F)c3)C[C@@]23CCCN(CC2CC2)C3=O)c1 ZINC000585106563 557040487 /nfs/dbraw/zinc/04/04/87/557040487.db2.gz BIWNEEJZKOZMRZ-BWKNWUBXSA-N 1 2 438.547 3.862 40 0 IHABLO O=C(NCC[NH+]1CCOCC1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 ZINC000096154462 557178315 /nfs/dbraw/zinc/17/83/15/557178315.db2.gz QXSRUAZVIQOHPN-UHFFFAOYSA-N 1 2 434.521 3.680 40 0 IHABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C(c3ccccc3)c3ccccc3)CC[N@@H+]2C)c1 ZINC000585261775 557196641 /nfs/dbraw/zinc/19/66/41/557196641.db2.gz JLUNGAAHNGKQSW-XMMPIXPASA-N 1 2 427.548 3.693 40 0 IHABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C(c3ccccc3)c3ccccc3)CC[N@H+]2C)c1 ZINC000585261775 557196643 /nfs/dbraw/zinc/19/66/43/557196643.db2.gz JLUNGAAHNGKQSW-XMMPIXPASA-N 1 2 427.548 3.693 40 0 IHABLO COc1ccc([C@@H]2CN(C(=O)c3ccc(OC)c(NCc4ccncc4)c3)CC[N@@H+]2C)cc1 ZINC000585262088 557200450 /nfs/dbraw/zinc/20/04/50/557200450.db2.gz USYVRGXZPJCCND-DEOSSOPVSA-N 1 2 446.551 3.840 40 0 IHABLO COc1ccc([C@@H]2CN(C(=O)c3ccc(OC)c(NCc4ccncc4)c3)CC[N@H+]2C)cc1 ZINC000585262088 557200452 /nfs/dbraw/zinc/20/04/52/557200452.db2.gz USYVRGXZPJCCND-DEOSSOPVSA-N 1 2 446.551 3.840 40 0 IHABLO CCCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670426 557256646 /nfs/dbraw/zinc/25/66/46/557256646.db2.gz OGUBPMJTJBZRDL-WOJBJXKFSA-N 1 2 433.000 3.867 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCc4ccccc4C3)c(=O)[nH]c12 ZINC000019236412 557498388 /nfs/dbraw/zinc/49/83/88/557498388.db2.gz AXEHOKMPJRAXCV-QFIPXVFZSA-N 1 2 428.540 3.726 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCc4ccccc4C3)c(=O)[nH]c12 ZINC000019236412 557498389 /nfs/dbraw/zinc/49/83/89/557498389.db2.gz AXEHOKMPJRAXCV-QFIPXVFZSA-N 1 2 428.540 3.726 40 0 IHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020150569 557516276 /nfs/dbraw/zinc/51/62/76/557516276.db2.gz OIKYCLFXMWKDDE-SMTRIPRVSA-N 1 2 438.499 3.686 40 0 IHABLO O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc([NH+]4CCCCC4)cc3)ccc21 ZINC000224979814 557674106 /nfs/dbraw/zinc/67/41/06/557674106.db2.gz KSIHQFRCXKUETP-UHFFFAOYSA-N 1 2 425.554 3.777 40 0 IHABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000095202032 557836835 /nfs/dbraw/zinc/83/68/35/557836835.db2.gz KIZHVHZKNYXRBU-HXUWFJFHSA-N 1 2 440.592 3.612 40 0 IHABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000095202032 557836839 /nfs/dbraw/zinc/83/68/39/557836839.db2.gz KIZHVHZKNYXRBU-HXUWFJFHSA-N 1 2 440.592 3.612 40 0 IHABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257206471 568668309 /nfs/dbraw/zinc/66/83/09/568668309.db2.gz BDPKWYMWWHHGBE-DEOSSOPVSA-N 1 2 433.556 3.815 40 0 IHABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257206471 568668312 /nfs/dbraw/zinc/66/83/12/568668312.db2.gz BDPKWYMWWHHGBE-DEOSSOPVSA-N 1 2 433.556 3.815 40 0 IHABLO Cc1nc2cc([C@H]3CCC[N@@H+]3Cc3ccc(O)cc3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257210247 568669859 /nfs/dbraw/zinc/66/98/59/568669859.db2.gz BTUAFPOEFKRDNY-HSZRJFAPSA-N 1 2 433.556 3.600 40 0 IHABLO Cc1nc2cc([C@H]3CCC[N@H+]3Cc3ccc(O)cc3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257210247 568669860 /nfs/dbraw/zinc/66/98/60/568669860.db2.gz BTUAFPOEFKRDNY-HSZRJFAPSA-N 1 2 433.556 3.600 40 0 IHABLO CC(=O)N1CCN(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257260054 568693197 /nfs/dbraw/zinc/69/31/97/568693197.db2.gz LBDULVOVYGSMKH-DEOSSOPVSA-N 1 2 449.555 3.502 40 0 IHABLO O=C(C[N@@H+]1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2)Nc1ccccc1-c1ccccc1 ZINC000257286580 568705389 /nfs/dbraw/zinc/70/53/89/568705389.db2.gz PMCWNYPWUKZFCX-HHHXNRCGSA-N 1 2 441.531 3.800 40 0 IHABLO O=C(C[N@H+]1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2)Nc1ccccc1-c1ccccc1 ZINC000257286580 568705390 /nfs/dbraw/zinc/70/53/90/568705390.db2.gz PMCWNYPWUKZFCX-HHHXNRCGSA-N 1 2 441.531 3.800 40 0 IHABLO COc1ccccc1[C@H]1CN(C(=O)c2ccccc2Nc2nc(C)cc(C)n2)CC[N@@H+]1C ZINC000257302850 568712539 /nfs/dbraw/zinc/71/25/39/568712539.db2.gz SERXNZAEGHUMPU-JOCHJYFZSA-N 1 2 431.540 3.975 40 0 IHABLO COc1ccccc1[C@H]1CN(C(=O)c2ccccc2Nc2nc(C)cc(C)n2)CC[N@H+]1C ZINC000257302850 568712540 /nfs/dbraw/zinc/71/25/40/568712540.db2.gz SERXNZAEGHUMPU-JOCHJYFZSA-N 1 2 431.540 3.975 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257312771 568716855 /nfs/dbraw/zinc/71/68/55/568716855.db2.gz UPLJCYQSPWTLDY-DEOSSOPVSA-N 1 2 426.524 3.726 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257312771 568716857 /nfs/dbraw/zinc/71/68/57/568716857.db2.gz UPLJCYQSPWTLDY-DEOSSOPVSA-N 1 2 426.524 3.726 40 0 IHABLO COc1ccc(NC(=O)CN2CCO[C@@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)cc1 ZINC000257323465 568721564 /nfs/dbraw/zinc/72/15/64/568721564.db2.gz WKGXZNRXZVYAAQ-JOCHJYFZSA-N 1 2 433.512 3.549 40 0 IHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)Cn2c(COC)nc3ccccc32)n1 ZINC000257338743 568728040 /nfs/dbraw/zinc/72/80/40/568728040.db2.gz YYUHVBMSDIZWLM-HXUWFJFHSA-N 1 2 444.539 3.690 40 0 IHABLO CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)cc(Cl)c1O ZINC000261362135 568733280 /nfs/dbraw/zinc/73/32/80/568733280.db2.gz GHINUTRRRWLAJS-GOSISDBHSA-O 1 2 431.925 3.979 40 0 IHABLO Cc1c(C[N@H+]2CCCC[C@H]2c2ncc(C(=O)N(C)C)c(C)n2)c(-c2ccccc2)nn1C ZINC000019765604 569238925 /nfs/dbraw/zinc/23/89/25/569238925.db2.gz ZYXSLDTVRKZERV-QFIPXVFZSA-N 1 2 432.572 3.923 40 0 IHABLO Cc1c(C[N@@H+]2CCCC[C@H]2c2ncc(C(=O)N(C)C)c(C)n2)c(-c2ccccc2)nn1C ZINC000019765604 569238927 /nfs/dbraw/zinc/23/89/27/569238927.db2.gz ZYXSLDTVRKZERV-QFIPXVFZSA-N 1 2 432.572 3.923 40 0 IHABLO Cc1nc(C2CCN(C(=O)CCCn3c4ccccc4[nH+]c3C(C)C)CC2)ncc1C(N)=O ZINC000019766607 569239450 /nfs/dbraw/zinc/23/94/50/569239450.db2.gz AYMFVSNTJQRGCI-UHFFFAOYSA-N 1 2 448.571 3.543 40 0 IHABLO COc1ccc(F)cc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025767262 569242056 /nfs/dbraw/zinc/24/20/56/569242056.db2.gz YDVLULYTIWMHJU-UHFFFAOYSA-N 1 2 440.540 3.930 40 0 IHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1c(F)cccc1Cl ZINC000261363537 569315795 /nfs/dbraw/zinc/31/57/95/569315795.db2.gz HKUQWPAGFQLURP-IBGZPJMESA-O 1 2 431.900 3.955 40 0 IHABLO CCOc1ccc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1C ZINC000261366087 569316002 /nfs/dbraw/zinc/31/60/02/569316002.db2.gz XHZRRVITGNYKGR-JOCHJYFZSA-O 1 2 437.545 3.869 40 0 IHABLO Cc1cccc(N2CC[NH+]([C@H](c3nnnn3Cc3ccc4c(c3)OCO4)C(C)C)CC2)c1C ZINC000013505142 132348712 /nfs/dbraw/zinc/34/87/12/132348712.db2.gz PJMWAIVMSMXKFD-DEOSSOPVSA-N 1 2 448.571 3.586 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC[C@@H]3C)cc2c1 ZINC000012469547 525479386 /nfs/dbraw/zinc/47/93/86/525479386.db2.gz CPEBGTAZKBMUOX-GAJHUEQPSA-N 1 2 444.539 3.535 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC[C@@H]3C)cc2c1 ZINC000012469547 525479400 /nfs/dbraw/zinc/47/94/00/525479400.db2.gz CPEBGTAZKBMUOX-GAJHUEQPSA-N 1 2 444.539 3.535 40 0 IHABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012469065 526234128 /nfs/dbraw/zinc/23/41/28/526234128.db2.gz MBKRWMDBOTTZSD-JPYJTQIMSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012469065 526234136 /nfs/dbraw/zinc/23/41/36/526234136.db2.gz MBKRWMDBOTTZSD-JPYJTQIMSA-N 1 2 428.540 3.693 40 0 IHABLO COc1ccc(Cn2nnnc2[C@@H](C(C)C)[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013504888 536592740 /nfs/dbraw/zinc/59/27/40/536592740.db2.gz ZFEYHNBNAPXNDM-XMMPIXPASA-N 1 2 434.588 3.866 40 0 IHABLO CC(=O)Nc1ccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000408673091 556062309 /nfs/dbraw/zinc/06/23/09/556062309.db2.gz YOCVKAPRPHSQFO-UHFFFAOYSA-N 1 2 445.519 3.829 40 0 IHABLO COc1ccc(CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)cc1 ZINC000032508587 556540141 /nfs/dbraw/zinc/54/01/41/556540141.db2.gz SQNYYHOQUWRLJC-RTBURBONSA-N 1 2 436.986 3.619 40 0 IHABLO Cc1noc(C)c1C[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000514289697 556623909 /nfs/dbraw/zinc/62/39/09/556623909.db2.gz BINWAXXRRDJEEE-QNWVGRARSA-N 1 2 425.554 3.850 40 0 biogenic,in-vitro IHABLO Cc1noc(C)c1C[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000514289697 556623910 /nfs/dbraw/zinc/62/39/10/556623910.db2.gz BINWAXXRRDJEEE-QNWVGRARSA-N 1 2 425.554 3.850 40 0 biogenic,in-vitro IHABLO CN(c1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1)S(=O)(=O)c1ccccc1 ZINC000044904922 556679576 /nfs/dbraw/zinc/67/95/76/556679576.db2.gz XLBSXUUXPPDIMV-UHFFFAOYSA-N 1 2 446.532 3.627 40 0 IHABLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000013557036 556697430 /nfs/dbraw/zinc/69/74/30/556697430.db2.gz CZLNOORALBDGNW-VYCZESIESA-N 1 2 429.303 3.829 40 0 IHABLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000013557036 556697431 /nfs/dbraw/zinc/69/74/31/556697431.db2.gz CZLNOORALBDGNW-VYCZESIESA-N 1 2 429.303 3.829 40 0 IHABLO COc1ccccc1OCCc1cc([C@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)nn1C ZINC000257271274 556713794 /nfs/dbraw/zinc/71/37/94/556713794.db2.gz MXPZANLQTCDTAH-XMMPIXPASA-N 1 2 425.504 3.763 40 0 IHABLO COc1ccccc1OCCc1cc([C@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)nn1C ZINC000257271274 556713796 /nfs/dbraw/zinc/71/37/96/556713796.db2.gz MXPZANLQTCDTAH-XMMPIXPASA-N 1 2 425.504 3.763 40 0 IHABLO O=C(COc1ccccc1)N(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000000882189 556733235 /nfs/dbraw/zinc/73/32/35/556733235.db2.gz DEHDKULOQRPZOJ-UHFFFAOYSA-N 1 2 437.565 3.944 40 0 IHABLO O=C(c1cccc2ccccc21)[C@@H]([C@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019366036 556746023 /nfs/dbraw/zinc/74/60/23/556746023.db2.gz NYOGKFRLXNPOAH-IZZNHLLZSA-N 1 2 430.548 3.797 40 0 IHABLO CCN1CC[C@@]2(C[C@@H](NC(=O)Cn3c(C)[nH+]c4ccccc43)c3ccccc3O2)CCC1=O ZINC000019527090 556785472 /nfs/dbraw/zinc/78/54/72/556785472.db2.gz XZRDJNAXXGIBED-QFQXNSOFSA-N 1 2 446.551 3.756 40 0 IHABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4ccn(C)n4)C3)c2)cc1 ZINC000019570315 556810480 /nfs/dbraw/zinc/81/04/80/556810480.db2.gz QHFHTXPHNJIHBL-SFHVURJKSA-N 1 2 433.512 3.894 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCCC3)cc2c1 ZINC000006282650 556831235 /nfs/dbraw/zinc/83/12/35/556831235.db2.gz GCRITCMZMXDLIG-QHCPKHFHSA-N 1 2 444.539 3.537 40 0 IHABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)cc12 ZINC000006405807 556834300 /nfs/dbraw/zinc/83/43/00/556834300.db2.gz WEKCGRVMDFTRKX-HSZRJFAPSA-N 1 2 428.540 3.755 40 0 IHABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c2c1C ZINC000006442594 556835888 /nfs/dbraw/zinc/83/58/88/556835888.db2.gz IHZOCIAXHQAMBL-HSZRJFAPSA-N 1 2 428.540 3.755 40 0 IHABLO Nc1ccc(-c2ccc([C@@H]3CCCN(C(=O)Cc4ccc5c(c4)CCCO5)C3)nc2)c[nH+]1 ZINC000019689311 556844064 /nfs/dbraw/zinc/84/40/64/556844064.db2.gz HPEMDMCEHAAWBE-JOCHJYFZSA-N 1 2 428.536 4.000 40 0 IHABLO Cc1nn(C)c(C)c1CCCNC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](C)CCO1 ZINC000019696724 556853657 /nfs/dbraw/zinc/85/36/57/556853657.db2.gz YECNNTXRNSDCFX-IBGZPJMESA-N 1 2 426.586 3.617 40 0 IHABLO Cc1nn(C)c(C)c1CCCNC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](C)CCO1 ZINC000019696724 556853661 /nfs/dbraw/zinc/85/36/61/556853661.db2.gz YECNNTXRNSDCFX-IBGZPJMESA-N 1 2 426.586 3.617 40 0 IHABLO Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000019701270 556861296 /nfs/dbraw/zinc/86/12/96/556861296.db2.gz PXJOVTKJPUEKNJ-JOCHJYFZSA-N 1 2 449.505 3.638 40 0 IHABLO Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000019701270 556861299 /nfs/dbraw/zinc/86/12/99/556861299.db2.gz PXJOVTKJPUEKNJ-JOCHJYFZSA-N 1 2 449.505 3.638 40 0 IHABLO Cc1c(C[N@@H+]2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)cnn1C ZINC000019740616 556881169 /nfs/dbraw/zinc/88/11/69/556881169.db2.gz JYXFCBUDOMAFSC-QFIPXVFZSA-N 1 2 448.546 3.783 40 0 IHABLO Cc1c(C[N@H+]2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)cnn1C ZINC000019740616 556881173 /nfs/dbraw/zinc/88/11/73/556881173.db2.gz JYXFCBUDOMAFSC-QFIPXVFZSA-N 1 2 448.546 3.783 40 0 IHABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@H+](CC(=O)N4CCCCC4)C3)c(=O)c2c1C ZINC000072347707 556918988 /nfs/dbraw/zinc/91/89/88/556918988.db2.gz JRBHRJFOYKBYAT-SFHVURJKSA-N 1 2 430.618 3.848 40 0 IHABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@@H+](CC(=O)N4CCCCC4)C3)c(=O)c2c1C ZINC000072347707 556918990 /nfs/dbraw/zinc/91/89/90/556918990.db2.gz JRBHRJFOYKBYAT-SFHVURJKSA-N 1 2 430.618 3.848 40 0 IHABLO O=C(C[C@H]1C(=O)N(CCCn2cc[nH+]c2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019819471 556922766 /nfs/dbraw/zinc/92/27/66/556922766.db2.gz AACXJWYHOBGLRE-FQEVSTJZSA-N 1 2 448.914 3.893 40 0 IHABLO CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)C[N@@H+]3CCc4ccccc4C3)n2)s1 ZINC000072375332 556951077 /nfs/dbraw/zinc/95/10/77/556951077.db2.gz NTEPODNPXJJDCW-HXUWFJFHSA-N 1 2 448.596 3.961 40 0 IHABLO CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)C[N@H+]3CCc4ccccc4C3)n2)s1 ZINC000072375332 556951081 /nfs/dbraw/zinc/95/10/81/556951081.db2.gz NTEPODNPXJJDCW-HXUWFJFHSA-N 1 2 448.596 3.961 40 0 IHABLO O=C(C[N@H+]1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1)Nc1ccccn1 ZINC000072378333 556957042 /nfs/dbraw/zinc/95/70/42/556957042.db2.gz KURIKTFSFMFJRQ-HXUWFJFHSA-N 1 2 425.920 3.855 40 0 IHABLO O=C(C[N@@H+]1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1)Nc1ccccn1 ZINC000072378333 556957046 /nfs/dbraw/zinc/95/70/46/556957046.db2.gz KURIKTFSFMFJRQ-HXUWFJFHSA-N 1 2 425.920 3.855 40 0 IHABLO COc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCOCC4)cc3)cc2c1Br ZINC000072396183 556968997 /nfs/dbraw/zinc/96/89/97/556968997.db2.gz BZWVGTLFPDZUAH-UHFFFAOYSA-N 1 2 444.329 3.748 40 0 IHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000020150566 556991296 /nfs/dbraw/zinc/99/12/96/556991296.db2.gz OIKYCLFXMWKDDE-AIFLQVKLSA-N 1 2 438.499 3.686 40 0 IHABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3cccs3)C[C@]23CCCN(CC2CC2)C3=O)c1 ZINC000585107452 557038646 /nfs/dbraw/zinc/03/86/46/557038646.db2.gz WDNNSCQNRPCLLH-WZONZLPQSA-N 1 2 426.586 3.784 40 0 IHABLO CCCN1CC[N@H+](Cc2c[nH]cn2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183598 557139198 /nfs/dbraw/zinc/13/91/98/557139198.db2.gz JTTODPUDCRHUNM-OAQYLSRUSA-N 1 2 432.568 3.998 40 0 IHABLO CCCN1CC[N@@H+](Cc2c[nH]cn2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183598 557139200 /nfs/dbraw/zinc/13/92/00/557139200.db2.gz JTTODPUDCRHUNM-OAQYLSRUSA-N 1 2 432.568 3.998 40 0 IHABLO CCCN1CC[N@H+](Cc2cnc[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183598 557139203 /nfs/dbraw/zinc/13/92/03/557139203.db2.gz JTTODPUDCRHUNM-OAQYLSRUSA-N 1 2 432.568 3.998 40 0 IHABLO CCCN1CC[N@@H+](Cc2cnc[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183598 557139205 /nfs/dbraw/zinc/13/92/05/557139205.db2.gz JTTODPUDCRHUNM-OAQYLSRUSA-N 1 2 432.568 3.998 40 0 IHABLO O=S1(=O)c2ccccc2[C@]2(CC[N@H+](Cc3nccs3)C2)N1Cc1ccc(F)cc1 ZINC000096143159 557169835 /nfs/dbraw/zinc/16/98/35/557169835.db2.gz DEURCUWYBDQEGF-OAQYLSRUSA-N 1 2 429.542 3.588 40 0 IHABLO O=S1(=O)c2ccccc2[C@]2(CC[N@@H+](Cc3nccs3)C2)N1Cc1ccc(F)cc1 ZINC000096143159 557169838 /nfs/dbraw/zinc/16/98/38/557169838.db2.gz DEURCUWYBDQEGF-OAQYLSRUSA-N 1 2 429.542 3.588 40 0 IHABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)Cc1ccc(OC)cc1)CC2 ZINC000096263310 557190889 /nfs/dbraw/zinc/19/08/89/557190889.db2.gz NYGWCGPGOMBHMF-UHFFFAOYSA-N 1 2 444.579 3.955 40 0 IHABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)Cc1ccc(OC)cc1)CC2 ZINC000096263310 557190893 /nfs/dbraw/zinc/19/08/93/557190893.db2.gz NYGWCGPGOMBHMF-UHFFFAOYSA-N 1 2 444.579 3.955 40 0 IHABLO COc1cccc(NC(=O)c2cn(-c3nc(C[NH2+]Cc4ccco4)c4ccccn43)cn2)c1 ZINC000096267090 557192913 /nfs/dbraw/zinc/19/29/13/557192913.db2.gz ZSZJKMDHTGFVAQ-UHFFFAOYSA-N 1 2 442.479 3.664 40 0 IHABLO COc1cccc(NC(=O)c2cn(-c3[nH+]c(CNCc4ccco4)c4ccccn43)cn2)c1 ZINC000096267090 557192914 /nfs/dbraw/zinc/19/29/14/557192914.db2.gz ZSZJKMDHTGFVAQ-UHFFFAOYSA-N 1 2 442.479 3.664 40 0 IHABLO CC(C)C(=O)N1CCc2nc3cc(C4CC[NH+](CC5CCCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000100232714 557250113 /nfs/dbraw/zinc/25/01/13/557250113.db2.gz VFIMZRQOLUAXBZ-UHFFFAOYSA-N 1 2 439.604 3.735 40 0 IHABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013494493 557325561 /nfs/dbraw/zinc/32/55/61/557325561.db2.gz SRZFVTQQAKCMTI-PZJWPPBQSA-N 1 2 438.576 3.710 40 0 IHABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013494493 557325562 /nfs/dbraw/zinc/32/55/62/557325562.db2.gz SRZFVTQQAKCMTI-PZJWPPBQSA-N 1 2 438.576 3.710 40 0 IHABLO COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223063737 557424226 /nfs/dbraw/zinc/42/42/26/557424226.db2.gz GPYYAEXIBBRPLK-GOTSBHOMSA-N 1 2 435.597 3.947 40 0 IHABLO Cc1cc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc(C)c1Cl ZINC000014399992 557436936 /nfs/dbraw/zinc/43/69/36/557436936.db2.gz UFLGEELBFZWKLB-KRWDZBQOSA-N 1 2 430.932 3.797 40 0 IHABLO O=C(CSCc1ccc(Cl)cc1F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000223586876 557489420 /nfs/dbraw/zinc/48/94/20/557489420.db2.gz BTVRPFULIDNLGK-UHFFFAOYSA-N 1 2 436.936 3.785 40 0 IHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccc(NC(C)=O)cc3)n2)cc1 ZINC000015675706 560094895 /nfs/dbraw/zinc/09/48/95/560094895.db2.gz NSHUPUMRIWPBTM-QFIPXVFZSA-N 1 2 444.495 3.726 40 0 biogenic,in-vitro IHABLO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4ccc(S(C)(=O)=O)cc4)[C@@H]3C[C@H]21 ZINC000257206225 568668012 /nfs/dbraw/zinc/66/80/12/568668012.db2.gz BCLSZXBVHQLOHZ-PRTQVNTJSA-N 1 2 427.566 3.982 40 0 IHABLO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4ccc(S(C)(=O)=O)cc4)[C@@H]3C[C@H]21 ZINC000257206225 568668016 /nfs/dbraw/zinc/66/80/16/568668016.db2.gz BCLSZXBVHQLOHZ-PRTQVNTJSA-N 1 2 427.566 3.982 40 0 IHABLO Cc1cc(Nc2cc(NC3CCN(C(=O)c4cccc(F)c4F)CC3)[nH+]c(C)n2)n[nH]1 ZINC000257213359 568671251 /nfs/dbraw/zinc/67/12/51/568671251.db2.gz CHFMIECQCVJIAO-UHFFFAOYSA-N 1 2 427.459 3.555 40 0 IHABLO COc1cc(C(=O)N2CCC[C@@](C)(c3cc(N)nc(C)[nH+]3)C2)ccc1OCc1ccccn1 ZINC000257215614 568672221 /nfs/dbraw/zinc/67/22/21/568672221.db2.gz CQWSRTBIZBHFKA-RUZDIDTESA-N 1 2 447.539 3.544 40 0 IHABLO CN1C(=O)CCCC[C@]12CN(C(=O)c1ccccc1Cn1cc[nH+]c1)C[C@H]2c1ccccc1 ZINC000257236778 568682094 /nfs/dbraw/zinc/68/20/94/568682094.db2.gz HDTIRYWDHFLZAI-RPLLCQBOSA-N 1 2 442.563 3.942 40 0 IHABLO CCn1cc(NC(=O)C[N@@H+]2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)c(C)n1 ZINC000257243152 568685247 /nfs/dbraw/zinc/68/52/47/568685247.db2.gz IFQNTBSYAIMDLM-HFMPRLQTSA-N 1 2 441.551 3.554 40 0 IHABLO CCn1cc(NC(=O)C[N@H+]2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)c(C)n1 ZINC000257243152 568685248 /nfs/dbraw/zinc/68/52/48/568685248.db2.gz IFQNTBSYAIMDLM-HFMPRLQTSA-N 1 2 441.551 3.554 40 0 IHABLO O=C(C[N@H+]1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2)Nc1ccccc1C(F)(F)F ZINC000257246309 568686761 /nfs/dbraw/zinc/68/67/61/568686761.db2.gz ITOGKTKZEWAXNS-PGRDOPGGSA-N 1 2 449.448 3.921 40 0 IHABLO O=C(C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2)Nc1ccccc1C(F)(F)F ZINC000257246309 568686762 /nfs/dbraw/zinc/68/67/62/568686762.db2.gz ITOGKTKZEWAXNS-PGRDOPGGSA-N 1 2 449.448 3.921 40 0 IHABLO CC(=O)N1CCC(Cc2ccccc2)(C(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)CC1 ZINC000257247743 568687290 /nfs/dbraw/zinc/68/72/90/568687290.db2.gz JAHDMCUUAKQVHX-HSZRJFAPSA-N 1 2 434.584 3.683 40 0 IHABLO COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)C[N@H+](C)Cc4ccccn4)C3)o2)cc1 ZINC000257260201 568693179 /nfs/dbraw/zinc/69/31/79/568693179.db2.gz LBTMTUZEMTUEEY-FQEVSTJZSA-N 1 2 434.540 3.507 40 0 IHABLO COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)C[N@@H+](C)Cc4ccccn4)C3)o2)cc1 ZINC000257260201 568693182 /nfs/dbraw/zinc/69/31/82/568693182.db2.gz LBTMTUZEMTUEEY-FQEVSTJZSA-N 1 2 434.540 3.507 40 0 IHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)c(C)n1 ZINC000257272191 568698570 /nfs/dbraw/zinc/69/85/70/568698570.db2.gz NBJRBFUFOFJKGZ-QFIPXVFZSA-N 1 2 429.952 3.783 40 0 IHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)c(C)n1 ZINC000257272191 568698571 /nfs/dbraw/zinc/69/85/71/568698571.db2.gz NBJRBFUFOFJKGZ-QFIPXVFZSA-N 1 2 429.952 3.783 40 0 IHABLO CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC[C@@H](Cc2cccn3cc[nH+]c23)CC1 ZINC000257276847 568700700 /nfs/dbraw/zinc/70/07/00/568700700.db2.gz NVJILVNFRKPMID-OAQYLSRUSA-N 1 2 432.568 3.643 40 0 IHABLO COc1ccc([C@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)CC[N@@H+]2C)cc1 ZINC000257276880 568700887 /nfs/dbraw/zinc/70/08/87/568700887.db2.gz NVNGORNCZNKOIM-JOCHJYFZSA-N 1 2 428.960 3.912 40 0 IHABLO COc1ccc([C@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)CC[N@H+]2C)cc1 ZINC000257276880 568700890 /nfs/dbraw/zinc/70/08/90/568700890.db2.gz NVNGORNCZNKOIM-JOCHJYFZSA-N 1 2 428.960 3.912 40 0 IHABLO COc1cccc(CC(=O)N2CCO[C@@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)[nH+]3)C2)c1 ZINC000257278537 568701659 /nfs/dbraw/zinc/70/16/59/568701659.db2.gz OCQDNADBOGYBSO-HSZRJFAPSA-N 1 2 447.539 3.692 40 0 IHABLO COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)C[N@H+](C)Cc4cccnc4)C3)o2)cc1 ZINC000257278696 568701759 /nfs/dbraw/zinc/70/17/59/568701759.db2.gz ODGMBUSNMKXOBB-OAQYLSRUSA-N 1 2 434.540 3.507 40 0 IHABLO COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)C[N@@H+](C)Cc4cccnc4)C3)o2)cc1 ZINC000257278696 568701761 /nfs/dbraw/zinc/70/17/61/568701761.db2.gz ODGMBUSNMKXOBB-OAQYLSRUSA-N 1 2 434.540 3.507 40 0 IHABLO CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](c2ccccc2)[C@]2(C1)CCCCC(=O)N2C ZINC000257294799 568709030 /nfs/dbraw/zinc/70/90/30/568709030.db2.gz QVUCUFPFXGFNOV-KDYSTLNUSA-N 1 2 444.579 3.996 40 0 IHABLO Cc1ccc[nH+]c1Nc1ccc([C@H]2CN(CC(=O)Nc3cccc(F)c3C)CCO2)nc1 ZINC000257319419 568719720 /nfs/dbraw/zinc/71/97/20/568719720.db2.gz VSLGYTZMGKUXJQ-JOCHJYFZSA-N 1 2 435.503 3.988 40 0 IHABLO CC(C)c1nc2c(s1)C[N@H+](Cc1cccc(F)c1)CC21CCN(S(C)(=O)=O)CC1 ZINC000306125848 568764022 /nfs/dbraw/zinc/76/40/22/568764022.db2.gz DDQLCLPNRNXXKO-UHFFFAOYSA-N 1 2 437.606 3.715 40 0 IHABLO CC(C)c1nc2c(s1)C[N@@H+](Cc1cccc(F)c1)CC21CCN(S(C)(=O)=O)CC1 ZINC000306125848 568764023 /nfs/dbraw/zinc/76/40/23/568764023.db2.gz DDQLCLPNRNXXKO-UHFFFAOYSA-N 1 2 437.606 3.715 40 0 IHABLO COc1ncccc1NC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306126921 568764426 /nfs/dbraw/zinc/76/44/26/568764426.db2.gz FJEOHNDLPYSUIQ-HXUWFJFHSA-N 1 2 428.496 3.722 40 0 IHABLO COc1ncccc1NC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306126921 568764428 /nfs/dbraw/zinc/76/44/28/568764428.db2.gz FJEOHNDLPYSUIQ-HXUWFJFHSA-N 1 2 428.496 3.722 40 0 IHABLO Cc1occc1C(=O)N1CCN(CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)[nH+]2)C1 ZINC000306128392 568765187 /nfs/dbraw/zinc/76/51/87/568765187.db2.gz GZEBAEUKBIKTOO-JOCHJYFZSA-N 1 2 433.556 3.745 40 0 IHABLO O=C(Nc1ccccc1)c1cn2c(nc1=O)[C@H]1C[N@H+](Cc3cc(Cl)ccc3F)C[C@@H]1C2 ZINC000306136564 568769362 /nfs/dbraw/zinc/76/93/62/568769362.db2.gz PXDIWFVVRMOONU-QAPCUYQASA-N 1 2 438.890 3.517 40 0 IHABLO O=C(Nc1ccccc1)c1cn2c(nc1=O)[C@H]1C[N@@H+](Cc3cc(Cl)ccc3F)C[C@@H]1C2 ZINC000306136564 568769363 /nfs/dbraw/zinc/76/93/63/568769363.db2.gz PXDIWFVVRMOONU-QAPCUYQASA-N 1 2 438.890 3.517 40 0 IHABLO Cc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(N[C@H](C)CO)n2)cc1 ZINC000329056724 568810605 /nfs/dbraw/zinc/81/06/05/568810605.db2.gz VUAZZICCVGCXHM-OAHLLOKOSA-N 1 2 432.446 3.599 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1CN(c2cc(C)[nH+]c(-c3ccccc3)n2)CCO1 ZINC000019702635 569232203 /nfs/dbraw/zinc/23/22/03/569232203.db2.gz DBRFHECFWYFLLB-SFHVURJKSA-N 1 2 445.548 3.999 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](CCCOc2cccc(C)c2)CCO1 ZINC000019703284 569233042 /nfs/dbraw/zinc/23/30/42/569233042.db2.gz PRTQERWNJFFBSO-LJQANCHMSA-N 1 2 425.554 3.807 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](CCCOc2cccc(C)c2)CCO1 ZINC000019703284 569233043 /nfs/dbraw/zinc/23/30/43/569233043.db2.gz PRTQERWNJFFBSO-LJQANCHMSA-N 1 2 425.554 3.807 40 0 IHABLO Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000019766726 569239607 /nfs/dbraw/zinc/23/96/07/569239607.db2.gz IUZRAGWMWMGFKR-OAQYLSRUSA-N 1 2 439.535 3.762 40 0 IHABLO Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000019766726 569239608 /nfs/dbraw/zinc/23/96/08/569239608.db2.gz IUZRAGWMWMGFKR-OAQYLSRUSA-N 1 2 439.535 3.762 40 0 IHABLO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(SC(F)F)cc1 ZINC000009870600 132330607 /nfs/dbraw/zinc/33/06/07/132330607.db2.gz VHSSTNSPWVRFTO-SFHVURJKSA-N 1 2 435.471 3.595 40 0 IHABLO CCOC(=O)[C@H]1CCC[N@@H+](c2ccc(NCc3cc4ccc(OC)cc4[nH]c3=O)cc2)C1 ZINC000013563098 132350048 /nfs/dbraw/zinc/35/00/48/132350048.db2.gz SWYUOSIXTRTZLX-SFHVURJKSA-N 1 2 435.524 3.928 40 0 IHABLO CCOC(=O)[C@H]1CCC[N@H+](c2ccc(NCc3cc4ccc(OC)cc4[nH]c3=O)cc2)C1 ZINC000013563098 132350049 /nfs/dbraw/zinc/35/00/49/132350049.db2.gz SWYUOSIXTRTZLX-SFHVURJKSA-N 1 2 435.524 3.928 40 0 IHABLO CCn1cc(C(=O)N2CCn3c([nH+]c(-c4ccc(N(C)C)cc4)c3NC(C)(C)C)C2)cn1 ZINC000012116234 523333590 /nfs/dbraw/zinc/33/35/90/523333590.db2.gz RKPVJGGYCKLVSI-UHFFFAOYSA-N 1 2 435.576 3.699 40 0 IHABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464382 524012379 /nfs/dbraw/zinc/01/23/79/524012379.db2.gz LZYYPFXRSQJCSB-OALUTQOASA-N 1 2 448.523 3.938 40 0 biogenic,in-vitro IHABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464382 524012382 /nfs/dbraw/zinc/01/23/82/524012382.db2.gz LZYYPFXRSQJCSB-OALUTQOASA-N 1 2 448.523 3.938 40 0 biogenic,in-vitro IHABLO C[C@H]1C[C@H](C)C[NH+]([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 ZINC000012417519 524886387 /nfs/dbraw/zinc/88/63/87/524886387.db2.gz RCXIBGQGEIVURL-ZIBATOQPSA-N 1 2 444.167 3.821 40 0 IHABLO Nc1nc[nH+]c(N)c1NC(=O)c1ccc(OCCCCOc2ccccc2)c(Cl)c1 ZINC000001749400 555712431 /nfs/dbraw/zinc/71/24/31/555712431.db2.gz MGCSRYCVWCOKKF-UHFFFAOYSA-N 1 2 427.892 3.785 40 0 IHABLO O=c1c2ccccc2nc(CSC2=[NH+][C@H]3C=Cc4nsnc4[C@@H]3N2)n1-c1ccccc1 ZINC000016523709 556613749 /nfs/dbraw/zinc/61/37/49/556613749.db2.gz BUXPXDMKAZUHKZ-QFBILLFUSA-N 1 2 444.545 3.566 40 0 IHABLO CC(C)(C)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCCC2)CC4)CC1 ZINC000019081092 556695823 /nfs/dbraw/zinc/69/58/23/556695823.db2.gz CNIAQGOCXSUHRG-UHFFFAOYSA-N 1 2 439.604 3.878 40 0 IHABLO CC(C)(C)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCCC2)CC4)CC1 ZINC000019081092 556695824 /nfs/dbraw/zinc/69/58/24/556695824.db2.gz CNIAQGOCXSUHRG-UHFFFAOYSA-N 1 2 439.604 3.878 40 0 IHABLO COc1cccc2ccc(C[N@@H+]3CCNC(=O)[C@@H]3Cc3ccc(-c4cccnc4)cc3)nc21 ZINC000257326608 556705223 /nfs/dbraw/zinc/70/52/23/556705223.db2.gz WXWBZHZSYKYFLF-DEOSSOPVSA-N 1 2 438.531 3.849 40 0 IHABLO COc1cccc2ccc(C[N@H+]3CCNC(=O)[C@@H]3Cc3ccc(-c4cccnc4)cc3)nc21 ZINC000257326608 556705225 /nfs/dbraw/zinc/70/52/25/556705225.db2.gz WXWBZHZSYKYFLF-DEOSSOPVSA-N 1 2 438.531 3.849 40 0 IHABLO COc1ccc([C@@H]2CN(CC(=O)NC(c3ccccc3)c3ccccc3)CC[N@@H+]2C)cc1 ZINC000257338238 556706668 /nfs/dbraw/zinc/70/66/68/556706668.db2.gz YWOBSHZSPJOLLQ-VWLOTQADSA-N 1 2 429.564 3.890 40 0 IHABLO COc1ccc([C@@H]2CN(CC(=O)NC(c3ccccc3)c3ccccc3)CC[N@H+]2C)cc1 ZINC000257338238 556706672 /nfs/dbraw/zinc/70/66/72/556706672.db2.gz YWOBSHZSPJOLLQ-VWLOTQADSA-N 1 2 429.564 3.890 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCOC[C@@H](Cc2cccc3ccncc32)C1 ZINC000257266481 556713454 /nfs/dbraw/zinc/71/34/54/556713454.db2.gz MDFHCFUNKZFUSX-NRFANRHFSA-N 1 2 426.520 3.811 40 0 IHABLO Cc1cc(C(=O)[C@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)ccc1Cl ZINC000019366135 556746053 /nfs/dbraw/zinc/74/60/53/556746053.db2.gz ZIMMQXHOWGZONK-GOTSBHOMSA-N 1 2 428.960 3.605 40 0 IHABLO CCC(CC)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019500118 556772122 /nfs/dbraw/zinc/77/21/22/556772122.db2.gz IRRXVGXYRMZFEH-UHFFFAOYSA-N 1 2 439.604 3.878 40 0 IHABLO CCC(CC)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019500118 556772125 /nfs/dbraw/zinc/77/21/25/556772125.db2.gz IRRXVGXYRMZFEH-UHFFFAOYSA-N 1 2 439.604 3.878 40 0 IHABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccco3)C3CCCC3)cc12 ZINC000001373139 556785701 /nfs/dbraw/zinc/78/57/01/556785701.db2.gz APPNXASPMDMUDW-UHFFFAOYSA-N 1 2 432.528 3.718 40 0 IHABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccco3)C3CCCC3)cc12 ZINC000001373139 556785702 /nfs/dbraw/zinc/78/57/02/556785702.db2.gz APPNXASPMDMUDW-UHFFFAOYSA-N 1 2 432.528 3.718 40 0 IHABLO Cc1cc2cc([C@@H](c3nnnn3CCc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000001362222 556788164 /nfs/dbraw/zinc/78/81/64/556788164.db2.gz PAVBQTCMPZYPOW-DEOSSOPVSA-N 1 2 442.567 3.949 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCCC3)cc2c1 ZINC000006282738 556831384 /nfs/dbraw/zinc/83/13/84/556831384.db2.gz GCRITCMZMXDLIG-HSZRJFAPSA-N 1 2 444.539 3.537 40 0 IHABLO Cc1cc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000006321136 556832925 /nfs/dbraw/zinc/83/29/25/556832925.db2.gz LTFVGZLXJPISAK-QHCPKHFHSA-N 1 2 446.530 3.894 40 0 IHABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006409933 556835162 /nfs/dbraw/zinc/83/51/62/556835162.db2.gz MBKRWMDBOTTZSD-MBSDFSHPSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006409933 556835165 /nfs/dbraw/zinc/83/51/65/556835165.db2.gz MBKRWMDBOTTZSD-MBSDFSHPSA-N 1 2 428.540 3.693 40 0 IHABLO COc1ccc2c(c1)C[C@H](C(=O)N1CCC(c3ccc(-c4ccc(N)[nH+]c4)cn3)CC1)CO2 ZINC000019688048 556842725 /nfs/dbraw/zinc/84/27/25/556842725.db2.gz QGBKCSARWWJKDF-NRFANRHFSA-N 1 2 444.535 3.692 40 0 IHABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@@H+]2CC(=O)NCc2ccccn2)n1 ZINC000019694330 556850152 /nfs/dbraw/zinc/85/01/52/556850152.db2.gz QPXRKWREDVUTGY-JOCHJYFZSA-N 1 2 448.546 3.587 40 0 IHABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@H+]2CC(=O)NCc2ccccn2)n1 ZINC000019694330 556850153 /nfs/dbraw/zinc/85/01/53/556850153.db2.gz QPXRKWREDVUTGY-JOCHJYFZSA-N 1 2 448.546 3.587 40 0 IHABLO Cc1nc([C@H]2CCC[N@H+](CC(=O)Nc3ccc4ncccc4c3)C2)nc2c1CCCN2C ZINC000019706988 556865958 /nfs/dbraw/zinc/86/59/58/556865958.db2.gz BPDAFINCMYIQOT-IBGZPJMESA-N 1 2 430.556 3.534 40 0 IHABLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4ncccc4c3)C2)nc2c1CCCN2C ZINC000019706988 556865962 /nfs/dbraw/zinc/86/59/62/556865962.db2.gz BPDAFINCMYIQOT-IBGZPJMESA-N 1 2 430.556 3.534 40 0 IHABLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3F)C2)nc2c1CCCN2CC1CC1 ZINC000019706977 556866085 /nfs/dbraw/zinc/86/60/85/556866085.db2.gz ZJSPZFADRXDCFZ-LJQANCHMSA-N 1 2 437.563 3.905 40 0 IHABLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3F)C2)nc2c1CCCN2CC1CC1 ZINC000019706977 556866089 /nfs/dbraw/zinc/86/60/89/556866089.db2.gz ZJSPZFADRXDCFZ-LJQANCHMSA-N 1 2 437.563 3.905 40 0 IHABLO O=C(C[NH+]1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1)Nc1nccs1 ZINC000019744081 556889696 /nfs/dbraw/zinc/88/96/96/556889696.db2.gz LBYQKXKRZSLBSP-FQEVSTJZSA-N 1 2 426.586 3.623 40 0 IHABLO CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCCC2)CC4)CC1 ZINC000072330523 556906289 /nfs/dbraw/zinc/90/62/89/556906289.db2.gz PFSALUNBYPDAGD-UHFFFAOYSA-N 1 2 425.577 3.632 40 0 IHABLO CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCCC2)CC4)CC1 ZINC000072330523 556906290 /nfs/dbraw/zinc/90/62/90/556906290.db2.gz PFSALUNBYPDAGD-UHFFFAOYSA-N 1 2 425.577 3.632 40 0 IHABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccn2Cc2ccccc2F)C3)C1 ZINC000072335627 556908623 /nfs/dbraw/zinc/90/86/23/556908623.db2.gz IDHLNNQZULZDRQ-SFHVURJKSA-N 1 2 435.547 3.966 40 0 IHABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccn2Cc2ccccc2F)C3)C1 ZINC000072335627 556908625 /nfs/dbraw/zinc/90/86/25/556908625.db2.gz IDHLNNQZULZDRQ-SFHVURJKSA-N 1 2 435.547 3.966 40 0 IHABLO Cc1cnc(NC(=O)C[NH+]2CCC(c3ccc(Nc4ccc(F)cn4)cn3)CC2)s1 ZINC000072374188 556947376 /nfs/dbraw/zinc/94/73/76/556947376.db2.gz GONNOFQCDZEVOI-UHFFFAOYSA-N 1 2 426.521 3.942 40 0 IHABLO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ccc4c(n[nH]c4NC(C)C)n3)C1)OCCO2 ZINC000072374480 556948100 /nfs/dbraw/zinc/94/81/00/556948100.db2.gz RJDHJOVIWJUYAP-INIZCTEOSA-N 1 2 437.544 3.938 40 0 IHABLO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3ccc4c(n[nH]c4NC(C)C)n3)C1)OCCO2 ZINC000072374480 556948105 /nfs/dbraw/zinc/94/81/05/556948105.db2.gz RJDHJOVIWJUYAP-INIZCTEOSA-N 1 2 437.544 3.938 40 0 IHABLO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)Cc2ccc(OC)cc2)n1 ZINC000072391876 556962712 /nfs/dbraw/zinc/96/27/12/556962712.db2.gz DLUSFFXAYBZSCE-OAQYLSRUSA-N 1 2 445.567 3.675 40 0 IHABLO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)Cc2ccc(OC)cc2)n1 ZINC000072391876 556962716 /nfs/dbraw/zinc/96/27/16/556962716.db2.gz DLUSFFXAYBZSCE-OAQYLSRUSA-N 1 2 445.567 3.675 40 0 IHABLO O=C(NCc1[nH+]c(C2CCN(C(=O)C3CC(F)C3)CC2)n2ccccc12)c1ccccc1 ZINC000585113221 557045101 /nfs/dbraw/zinc/04/51/01/557045101.db2.gz KFLWBLVOARKDPD-UHFFFAOYSA-N 1 2 434.515 3.718 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000000889020 557116660 /nfs/dbraw/zinc/11/66/60/557116660.db2.gz CRTGYUWGNJSQHR-JPYJTQIMSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000000889020 557116666 /nfs/dbraw/zinc/11/66/66/557116666.db2.gz CRTGYUWGNJSQHR-JPYJTQIMSA-N 1 2 428.540 3.693 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006149211 557146268 /nfs/dbraw/zinc/14/62/68/557146268.db2.gz URTITZWENUOLET-HRAATJIYSA-N 1 2 438.576 3.880 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006149211 557146274 /nfs/dbraw/zinc/14/62/74/557146274.db2.gz URTITZWENUOLET-HRAATJIYSA-N 1 2 438.576 3.880 40 0 IHABLO C[N@@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)NCc1ccccc1)CC2 ZINC000096144951 557173712 /nfs/dbraw/zinc/17/37/12/557173712.db2.gz RNBMJRYCKGWPEI-UHFFFAOYSA-N 1 2 433.531 3.836 40 0 IHABLO C[N@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)NCc1ccccc1)CC2 ZINC000096144951 557173715 /nfs/dbraw/zinc/17/37/15/557173715.db2.gz RNBMJRYCKGWPEI-UHFFFAOYSA-N 1 2 433.531 3.836 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H](c2ccccc2)[C@]2(C1)CCCCC(=O)N2 ZINC000585261686 557195429 /nfs/dbraw/zinc/19/54/29/557195429.db2.gz IJICJPVKCYOSGO-JYFHCDHNSA-N 1 2 428.536 3.600 40 0 IHABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](C5CCCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000100243043 557254947 /nfs/dbraw/zinc/25/49/47/557254947.db2.gz ISPFXUKTAXZOPW-UHFFFAOYSA-N 1 2 425.577 3.632 40 0 IHABLO Cc1cccc2cc(C[N@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c12 ZINC000013065569 557279286 /nfs/dbraw/zinc/27/92/86/557279286.db2.gz CHZKYDKIQAEALS-UHFFFAOYSA-N 1 2 446.530 3.955 40 0 IHABLO Cc1cccc2cc(C[N@@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c12 ZINC000013065569 557279288 /nfs/dbraw/zinc/27/92/88/557279288.db2.gz CHZKYDKIQAEALS-UHFFFAOYSA-N 1 2 446.530 3.955 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1CC[NH+]1CCOCC1 ZINC000223149854 557439249 /nfs/dbraw/zinc/43/92/49/557439249.db2.gz WXLQYVBAIAIHQG-XZOQPEGZSA-N 1 2 439.629 3.693 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1CC[NH+]1CCOCC1 ZINC000223150034 557439336 /nfs/dbraw/zinc/43/93/36/557439336.db2.gz WXLQYVBAIAIHQG-PKTZIBPZSA-N 1 2 439.629 3.693 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1CCC[NH+]1CCOCC1 ZINC000223178517 557441987 /nfs/dbraw/zinc/44/19/87/557441987.db2.gz VCGFUCVAIFGXML-GOTSBHOMSA-N 1 2 439.629 3.693 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1CCC[NH+]1CCOCC1 ZINC000223193402 557444168 /nfs/dbraw/zinc/44/41/68/557444168.db2.gz XMFFNYBQTFQLSM-ZEQRLZLVSA-N 1 2 447.608 3.567 40 0 IHABLO COc1ccccc1C[NH+]1CCN([C@H](CC(C)C)c2nnnn2Cc2cccs2)CC1 ZINC000019446927 557499373 /nfs/dbraw/zinc/49/93/73/557499373.db2.gz HWJWGPVXFJWHEX-OAQYLSRUSA-N 1 2 440.617 3.697 40 0 IHABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COCC(C)C ZINC000224453486 557607819 /nfs/dbraw/zinc/60/78/19/557607819.db2.gz LAOIAIMJASDDRL-UHFFFAOYSA-N 1 2 440.540 3.555 40 0 IHABLO COc1cc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000033738392 557809455 /nfs/dbraw/zinc/80/94/55/557809455.db2.gz IAPCCGCKECZCOG-LXIYXOSZSA-N 1 2 446.573 3.898 40 0 IHABLO Cc1ccc(CN2Cc3[nH+]c[nH]c3C[C@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000015676373 560094709 /nfs/dbraw/zinc/09/47/09/560094709.db2.gz JCNGCZKAEUSTTM-NRFANRHFSA-N 1 2 428.458 3.980 40 0 biogenic,in-vitro IHABLO CCOc1cccc(OCC(=O)N2CCO[C@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)c1 ZINC000257203083 568666710 /nfs/dbraw/zinc/66/67/10/568666710.db2.gz AOPIJMGEHBQNQI-QHCPKHFHSA-N 1 2 448.523 3.906 40 0 IHABLO CCOc1cccc(OCC(=O)N2CCO[C@@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)c1 ZINC000257203082 568666871 /nfs/dbraw/zinc/66/68/71/568666871.db2.gz AOPIJMGEHBQNQI-HSZRJFAPSA-N 1 2 448.523 3.906 40 0 IHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)CC[C@@H]1Oc1cccc(F)c1 ZINC000257219839 568674276 /nfs/dbraw/zinc/67/42/76/568674276.db2.gz DIKLUIQEYXJNSB-ICSRJNTNSA-N 1 2 426.410 3.687 40 0 IHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)CC[C@@H]1Oc1cccc(F)c1 ZINC000257219839 568674277 /nfs/dbraw/zinc/67/42/77/568674277.db2.gz DIKLUIQEYXJNSB-ICSRJNTNSA-N 1 2 426.410 3.687 40 0 IHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257232761 568680352 /nfs/dbraw/zinc/68/03/52/568680352.db2.gz GMHHZZFLMSMEIE-RXVVDRJESA-N 1 2 440.874 3.784 40 0 IHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257232761 568680356 /nfs/dbraw/zinc/68/03/56/568680356.db2.gz GMHHZZFLMSMEIE-RXVVDRJESA-N 1 2 440.874 3.784 40 0 IHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 ZINC000257236153 568681834 /nfs/dbraw/zinc/68/18/34/568681834.db2.gz HAZWRMGUQFUOFG-NRFANRHFSA-N 1 2 426.520 3.811 40 0 IHABLO O=C(NC1CCCC1)c1cc([C@@H]2CCCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)n[nH]1 ZINC000257245441 568686494 /nfs/dbraw/zinc/68/64/94/568686494.db2.gz IPNXVXCPTAYKTB-QHCPKHFHSA-N 1 2 446.555 3.694 40 0 IHABLO CN(C(=O)CCCn1c2ccccc2nc1C(F)(F)F)[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257249375 568688157 /nfs/dbraw/zinc/68/81/57/568688157.db2.gz JHZCGSHNFNNMSQ-QWFCFKBJSA-N 1 2 449.477 3.645 40 0 IHABLO Nc1ccc(-c2cccc(C(=O)N3CCOC[C@H](Cc4cccc5ncccc45)C3)n2)c[nH+]1 ZINC000257265350 568695546 /nfs/dbraw/zinc/69/55/46/568695546.db2.gz LYHVFTDIOWSIFS-GOSISDBHSA-N 1 2 439.519 3.605 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCO[C@@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257268428 568696983 /nfs/dbraw/zinc/69/69/83/568696983.db2.gz MLQPRLGHFPOHPN-XMMPIXPASA-N 1 2 428.540 3.670 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCO[C@@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257268428 568696988 /nfs/dbraw/zinc/69/69/88/568696988.db2.gz MLQPRLGHFPOHPN-XMMPIXPASA-N 1 2 428.540 3.670 40 0 IHABLO COc1cccc(CC(=O)N2CCO[C@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)[nH+]3)C2)c1 ZINC000257278538 568701755 /nfs/dbraw/zinc/70/17/55/568701755.db2.gz OCQDNADBOGYBSO-QHCPKHFHSA-N 1 2 447.539 3.692 40 0 IHABLO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NCC4CC4)c(C)n3n2)n1 ZINC000257279147 568701992 /nfs/dbraw/zinc/70/19/92/568701992.db2.gz OFEFAUMKSYPQBY-XMMPIXPASA-N 1 2 446.599 3.845 40 0 IHABLO Cc1cccc(C[N@H+]2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NCC4CC4)c(C)n3n2)n1 ZINC000257279147 568701994 /nfs/dbraw/zinc/70/19/94/568701994.db2.gz OFEFAUMKSYPQBY-XMMPIXPASA-N 1 2 446.599 3.845 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCOC[C@H](Cc2cccc3ncccc23)C1 ZINC000257284607 568704269 /nfs/dbraw/zinc/70/42/69/568704269.db2.gz PDKZHMMTVHLWKL-OAQYLSRUSA-N 1 2 426.520 3.811 40 0 IHABLO COc1ccccc1C[N@@H+]1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257288755 568706228 /nfs/dbraw/zinc/70/62/28/568706228.db2.gz PVLWKNFLUPPHPM-QHCPKHFHSA-N 1 2 447.583 3.903 40 0 IHABLO COc1ccccc1C[N@H+]1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257288755 568706232 /nfs/dbraw/zinc/70/62/32/568706232.db2.gz PVLWKNFLUPPHPM-QHCPKHFHSA-N 1 2 447.583 3.903 40 0 IHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)COCc2nc3ccccc3n2C)n1 ZINC000257305741 568713803 /nfs/dbraw/zinc/71/38/03/568713803.db2.gz SRHJYJLIXTVSHE-OAQYLSRUSA-N 1 2 444.539 3.597 40 0 IHABLO COc1cc2c(cc1CN1CCO[C@@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C1)OCCO2 ZINC000257310468 568715635 /nfs/dbraw/zinc/71/56/35/568715635.db2.gz UFEJTNURJGNITH-XMMPIXPASA-N 1 2 448.523 3.882 40 0 IHABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CN(C(=O)c3ccc4c(c3)CCCN4C)CCO2)n1 ZINC000257340507 568728674 /nfs/dbraw/zinc/72/86/74/568728674.db2.gz ZGLDWTRBQAMBDC-DEOSSOPVSA-N 1 2 443.551 3.630 40 0 IHABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3cccs3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306127643 568764710 /nfs/dbraw/zinc/76/47/10/568764710.db2.gz GEASPEKFKMEITK-CYFREDJKSA-N 1 2 449.580 3.579 40 0 IHABLO Ic1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329009693 568809328 /nfs/dbraw/zinc/80/93/28/568809328.db2.gz LXCPJKJZQFNOMO-UHFFFAOYSA-N 1 2 428.277 3.910 40 0 IHABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C ZINC000001378356 568898159 /nfs/dbraw/zinc/89/81/59/568898159.db2.gz PCDKLNVFCMQJFB-UHFFFAOYSA-N 1 2 434.540 3.511 40 0 IHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000245230258 569205372 /nfs/dbraw/zinc/20/53/72/569205372.db2.gz OIKYCLFXMWKDDE-HULNYRCFSA-N 1 2 438.499 3.686 40 0 IHABLO CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000019697382 569229922 /nfs/dbraw/zinc/22/99/22/569229922.db2.gz IOPWCEITPXGIGI-QGZVFWFLSA-N 1 2 437.494 3.949 40 0 IHABLO CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000019697382 569229923 /nfs/dbraw/zinc/22/99/23/569229923.db2.gz IOPWCEITPXGIGI-QGZVFWFLSA-N 1 2 437.494 3.949 40 0 IHABLO Cc1cccc(C[N@@H+]2CCO[C@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)c1 ZINC000019703246 569232913 /nfs/dbraw/zinc/23/29/13/569232913.db2.gz ILGLXRIPSYJBNX-FQEVSTJZSA-N 1 2 437.565 3.651 40 0 IHABLO Cc1cccc(C[N@H+]2CCO[C@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)c1 ZINC000019703246 569232914 /nfs/dbraw/zinc/23/29/14/569232914.db2.gz ILGLXRIPSYJBNX-FQEVSTJZSA-N 1 2 437.565 3.651 40 0 IHABLO Cc1nc([C@@H]2CCCCN2C(=O)CCCn2c3ccccc3[nH+]c2C(C)C)ncc1C(N)=O ZINC000019764517 569238515 /nfs/dbraw/zinc/23/85/15/569238515.db2.gz FQDLNZQXPORCFV-NRFANRHFSA-N 1 2 448.571 3.891 40 0 IHABLO CNC(=O)c1cc([C@@H]2C[N@H+](Cc3ccc4cccc(OC)c4n3)CCO2)nc2ccccc21 ZINC000019759605 569328747 /nfs/dbraw/zinc/32/87/47/569328747.db2.gz NLFTYRKDAQUKBF-DEOSSOPVSA-N 1 2 442.519 3.725 40 0 IHABLO CNC(=O)c1cc([C@@H]2C[N@@H+](Cc3ccc4cccc(OC)c4n3)CCO2)nc2ccccc21 ZINC000019759605 569328748 /nfs/dbraw/zinc/32/87/48/569328748.db2.gz NLFTYRKDAQUKBF-DEOSSOPVSA-N 1 2 442.519 3.725 40 0 IHABLO O=C(Cc1ccccc1)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225475235 291374610 /nfs/dbraw/zinc/37/46/10/291374610.db2.gz YOQBCMGEGQXWPI-UHFFFAOYSA-N 1 2 447.604 3.754 40 0 biogenic,in-vitro IHABLO O=C(Cc1ccccc1)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225475235 291374614 /nfs/dbraw/zinc/37/46/14/291374614.db2.gz YOQBCMGEGQXWPI-UHFFFAOYSA-N 1 2 447.604 3.754 40 0 biogenic,in-vitro IHABLO CN(C)c1nc2c(c(N3CCC(c4ccncc4)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000012222366 522332905 /nfs/dbraw/zinc/33/29/05/522332905.db2.gz OZUMEGMFCHAIDV-UHFFFAOYSA-N 1 2 428.584 3.880 40 0 IHABLO CN(C)c1nc2c(c(N3CCC(c4ccncc4)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012222366 522332918 /nfs/dbraw/zinc/33/29/18/522332918.db2.gz OZUMEGMFCHAIDV-UHFFFAOYSA-N 1 2 428.584 3.880 40 0 IHABLO Cc1cc(OCC[NH+]2CCOCC2)c(C)c2c1CC[C@@H]([C@H](C)C(=O)N1CCCCC1)C2 ZINC000020504639 525372447 /nfs/dbraw/zinc/37/24/47/525372447.db2.gz HCDKCRWXMKIBIY-RBBKRZOGSA-N 1 2 428.617 3.768 40 0 biogenic,in-vitro IHABLO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012466258 525640621 /nfs/dbraw/zinc/64/06/21/525640621.db2.gz DPDOTMYRNQESOQ-OPAMFIHVSA-N 1 2 436.560 3.850 40 0 IHABLO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012466258 525640634 /nfs/dbraw/zinc/64/06/34/525640634.db2.gz DPDOTMYRNQESOQ-OPAMFIHVSA-N 1 2 436.560 3.850 40 0 IHABLO CCOc1cc(C(=S)NCC[NH+]2CCOCC2)cc(Cl)c1OCc1ccccc1 ZINC000408573801 555923965 /nfs/dbraw/zinc/92/39/65/555923965.db2.gz KPSOKDHDQCIKBC-UHFFFAOYSA-N 1 2 434.989 3.915 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCOC[C@H](Cc2cccc3cccnc32)C1 ZINC000257227498 556708483 /nfs/dbraw/zinc/70/84/83/556708483.db2.gz FPONNAVUBJQKQF-OAQYLSRUSA-N 1 2 426.520 3.811 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCOC[C@@H](Cc2cccc3cccnc32)C1 ZINC000257227497 556708685 /nfs/dbraw/zinc/70/86/85/556708685.db2.gz FPONNAVUBJQKQF-NRFANRHFSA-N 1 2 426.520 3.811 40 0 IHABLO O=C([C@H]1CC12CCC2)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019292135 556731766 /nfs/dbraw/zinc/73/17/66/556731766.db2.gz VETCGORXKSHULB-HXUWFJFHSA-N 1 2 449.599 3.632 40 0 IHABLO O=C([C@H]1CC12CCC2)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019292135 556731769 /nfs/dbraw/zinc/73/17/69/556731769.db2.gz VETCGORXKSHULB-HXUWFJFHSA-N 1 2 449.599 3.632 40 0 IHABLO O=C(CC1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349412 556744350 /nfs/dbraw/zinc/74/43/50/556744350.db2.gz VVNZOKBFULSFLM-QFIPXVFZSA-N 1 2 438.547 3.711 40 0 IHABLO O=C(CC1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349412 556744352 /nfs/dbraw/zinc/74/43/52/556744352.db2.gz VVNZOKBFULSFLM-QFIPXVFZSA-N 1 2 438.547 3.711 40 0 IHABLO O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349400 556744452 /nfs/dbraw/zinc/74/44/52/556744452.db2.gz JVZMCBPPENKSAG-QFIPXVFZSA-N 1 2 438.547 3.711 40 0 IHABLO O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349400 556744454 /nfs/dbraw/zinc/74/44/54/556744454.db2.gz JVZMCBPPENKSAG-QFIPXVFZSA-N 1 2 438.547 3.711 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000907682 556744636 /nfs/dbraw/zinc/74/46/36/556744636.db2.gz CMQRRZJWTOQITM-QHCPKHFHSA-N 1 2 446.530 3.832 40 0 IHABLO CC(C)(C)c1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000019365025 556745998 /nfs/dbraw/zinc/74/59/98/556745998.db2.gz LLWAEHIULOYSDC-JWQCQUIFSA-N 1 2 436.596 3.941 40 0 IHABLO O=S1(=O)N=C([C@@H]2CCC[N@H+](Cc3ccnc(-c4ccccc4)n3)C2)Nc2ccccc21 ZINC000019374398 556750970 /nfs/dbraw/zinc/75/09/70/556750970.db2.gz CNPHZOZKWYPRTQ-GOSISDBHSA-N 1 2 433.537 3.569 40 0 IHABLO O=S1(=O)N=C([C@@H]2CCC[N@@H+](Cc3ccnc(-c4ccccc4)n3)C2)Nc2ccccc21 ZINC000019374398 556750975 /nfs/dbraw/zinc/75/09/75/556750975.db2.gz CNPHZOZKWYPRTQ-GOSISDBHSA-N 1 2 433.537 3.569 40 0 IHABLO COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)[NH+]2CCC(C)CC2)c(OC)c1 ZINC000004847707 556823743 /nfs/dbraw/zinc/82/37/43/556823743.db2.gz BKSQYPHAKDIBDF-QFIPXVFZSA-N 1 2 425.508 3.699 40 0 IHABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000006283168 556831348 /nfs/dbraw/zinc/83/13/48/556831348.db2.gz DPDOTMYRNQESOQ-ZHRRBRCNSA-N 1 2 436.560 3.850 40 0 IHABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000006283168 556831351 /nfs/dbraw/zinc/83/13/51/556831351.db2.gz DPDOTMYRNQESOQ-ZHRRBRCNSA-N 1 2 436.560 3.850 40 0 IHABLO Cc1cnc(NC(=O)C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)s1 ZINC000019694540 556850523 /nfs/dbraw/zinc/85/05/23/556850523.db2.gz BPGHRIRIJPSNFG-SFHVURJKSA-N 1 2 436.585 3.793 40 0 IHABLO Cc1cnc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)s1 ZINC000019694540 556850527 /nfs/dbraw/zinc/85/05/27/556850527.db2.gz BPGHRIRIJPSNFG-SFHVURJKSA-N 1 2 436.585 3.793 40 0 IHABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@H](c3c4ccccc4sc3C(N)=O)C2)c1 ZINC000019697613 556855061 /nfs/dbraw/zinc/85/50/61/556855061.db2.gz TYLRYFHDBYESEM-IBGZPJMESA-N 1 2 426.538 3.729 40 0 IHABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@H](c3c4ccccc4sc3C(N)=O)C2)c1 ZINC000019697613 556855064 /nfs/dbraw/zinc/85/50/64/556855064.db2.gz TYLRYFHDBYESEM-IBGZPJMESA-N 1 2 426.538 3.729 40 0 IHABLO O=C(NCCO)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000019697687 556855347 /nfs/dbraw/zinc/85/53/47/556855347.db2.gz SOOCHSMCNWGTHP-OAQYLSRUSA-N 1 2 447.560 3.745 40 0 IHABLO O=C(NCCO)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000019697687 556855349 /nfs/dbraw/zinc/85/53/49/556855349.db2.gz SOOCHSMCNWGTHP-OAQYLSRUSA-N 1 2 447.560 3.745 40 0 IHABLO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@@H+]2Cc2cc3c(cc2OC)CCC3)n1 ZINC000019709840 556871445 /nfs/dbraw/zinc/87/14/45/556871445.db2.gz SRJLTGWDQQXERN-JOCHJYFZSA-N 1 2 437.588 3.721 40 0 IHABLO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@H+]2Cc2cc3c(cc2OC)CCC3)n1 ZINC000019709840 556871448 /nfs/dbraw/zinc/87/14/48/556871448.db2.gz SRJLTGWDQQXERN-JOCHJYFZSA-N 1 2 437.588 3.721 40 0 IHABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 ZINC000019740647 556881106 /nfs/dbraw/zinc/88/11/06/556881106.db2.gz YIBZGEAPZUXCIL-JOCHJYFZSA-N 1 2 430.556 3.643 40 0 IHABLO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 ZINC000019740647 556881108 /nfs/dbraw/zinc/88/11/08/556881108.db2.gz YIBZGEAPZUXCIL-JOCHJYFZSA-N 1 2 430.556 3.643 40 0 IHABLO Cc1c(C[N@@H+]2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccc(C)cc2)C(=O)CC3)cnn1C ZINC000019740628 556881119 /nfs/dbraw/zinc/88/11/19/556881119.db2.gz OVMPCLXUYJEQTA-QHCPKHFHSA-N 1 2 444.583 3.952 40 0 IHABLO Cc1c(C[N@H+]2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccc(C)cc2)C(=O)CC3)cnn1C ZINC000019740628 556881123 /nfs/dbraw/zinc/88/11/23/556881123.db2.gz OVMPCLXUYJEQTA-QHCPKHFHSA-N 1 2 444.583 3.952 40 0 IHABLO Cc1c(C[N@@H+]2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)cnn1C ZINC000019740640 556881213 /nfs/dbraw/zinc/88/12/13/556881213.db2.gz PAAQUKNOAPBGRM-QFIPXVFZSA-N 1 2 448.546 3.783 40 0 IHABLO Cc1c(C[N@H+]2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)cnn1C ZINC000019740640 556881217 /nfs/dbraw/zinc/88/12/17/556881217.db2.gz PAAQUKNOAPBGRM-QFIPXVFZSA-N 1 2 448.546 3.783 40 0 IHABLO Cc1nc([C@@H]2CCC[N@H+]2Cc2cccnc2N(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019755041 556898279 /nfs/dbraw/zinc/89/82/79/556898279.db2.gz HFHFEGIUXVKILI-QFIPXVFZSA-N 1 2 448.546 3.652 40 0 IHABLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cccnc2N(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019755041 556898282 /nfs/dbraw/zinc/89/82/82/556898282.db2.gz HFHFEGIUXVKILI-QFIPXVFZSA-N 1 2 448.546 3.652 40 0 IHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019759720 556903603 /nfs/dbraw/zinc/90/36/03/556903603.db2.gz OEFBEDWAFHBWAY-NRFANRHFSA-N 1 2 448.552 3.559 40 0 IHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019759720 556903608 /nfs/dbraw/zinc/90/36/08/556903608.db2.gz OEFBEDWAFHBWAY-NRFANRHFSA-N 1 2 448.552 3.559 40 0 IHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)cn1 ZINC000019762917 556907801 /nfs/dbraw/zinc/90/78/01/556907801.db2.gz SUNBMFQSAOOOJE-NRFANRHFSA-N 1 2 448.552 3.734 40 0 IHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)cn1 ZINC000019762917 556907806 /nfs/dbraw/zinc/90/78/06/556907806.db2.gz SUNBMFQSAOOOJE-NRFANRHFSA-N 1 2 448.552 3.734 40 0 IHABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccn2Cc2ccccc2F)C3)C1 ZINC000072335626 556908597 /nfs/dbraw/zinc/90/85/97/556908597.db2.gz IDHLNNQZULZDRQ-GOSISDBHSA-N 1 2 435.547 3.966 40 0 IHABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccn2Cc2ccccc2F)C3)C1 ZINC000072335626 556908601 /nfs/dbraw/zinc/90/86/01/556908601.db2.gz IDHLNNQZULZDRQ-GOSISDBHSA-N 1 2 435.547 3.966 40 0 IHABLO CCCn1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)c(C)n1 ZINC000072353214 556925969 /nfs/dbraw/zinc/92/59/69/556925969.db2.gz KSIUPUKSRGVFEK-HXUWFJFHSA-N 1 2 440.573 3.969 40 0 IHABLO Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(C(=O)C[N@@H+](C)Cc3ccccc3F)C2)n1 ZINC000072353784 556928195 /nfs/dbraw/zinc/92/81/95/556928195.db2.gz YSDSMKRHHNSCOK-HXUWFJFHSA-N 1 2 433.531 3.824 40 0 IHABLO Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(C(=O)C[N@H+](C)Cc3ccccc3F)C2)n1 ZINC000072353784 556928199 /nfs/dbraw/zinc/92/81/99/556928199.db2.gz YSDSMKRHHNSCOK-HXUWFJFHSA-N 1 2 433.531 3.824 40 0 IHABLO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 ZINC000072361466 556933518 /nfs/dbraw/zinc/93/35/18/556933518.db2.gz RQIGATSADGRZHC-GOSISDBHSA-N 1 2 425.562 3.610 40 0 IHABLO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 ZINC000072361466 556933519 /nfs/dbraw/zinc/93/35/19/556933519.db2.gz RQIGATSADGRZHC-GOSISDBHSA-N 1 2 425.562 3.610 40 0 IHABLO O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020105110 556981916 /nfs/dbraw/zinc/98/19/16/556981916.db2.gz YTIQUBFXROPCEU-UHFFFAOYSA-N 1 2 446.532 3.631 40 0 IHABLO O=C(NCC[NH+]1CCOCC1)c1cc(-c2csc(-c3cccs3)n2)n2ccccc12 ZINC000096154888 557179030 /nfs/dbraw/zinc/17/90/30/557179030.db2.gz NWTLSEFBIHNPFQ-UHFFFAOYSA-N 1 2 438.578 3.853 40 0 IHABLO Cc1cccc(NC(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4cccc[nH+]4)C[C@@H]3C2)c1 ZINC000096251423 557188618 /nfs/dbraw/zinc/18/86/18/557188618.db2.gz AFPLBAKINDFZEU-LVXARBLLSA-N 1 2 447.583 3.667 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500522 557324062 /nfs/dbraw/zinc/32/40/62/557324062.db2.gz NVTKWFVMWKBGGU-JOCHJYFZSA-N 1 2 438.576 3.520 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500522 557324063 /nfs/dbraw/zinc/32/40/63/557324063.db2.gz NVTKWFVMWKBGGU-JOCHJYFZSA-N 1 2 438.576 3.520 40 0 IHABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C(C)C ZINC000223179909 557442202 /nfs/dbraw/zinc/44/22/02/557442202.db2.gz JNJLZLDDQLLJLD-DHIUTWEWSA-N 1 2 441.645 3.776 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1CCC[NH+]1CCOCC1 ZINC000223205558 557445975 /nfs/dbraw/zinc/44/59/75/557445975.db2.gz XKEQTNODISKDMT-GOTSBHOMSA-N 1 2 439.629 3.693 40 0 IHABLO CCc1nn2c(nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccccc1 ZINC000014607686 557447750 /nfs/dbraw/zinc/44/77/50/557447750.db2.gz HWHAPSQBNCRVRV-UHFFFAOYSA-N 1 2 440.551 3.620 40 0 IHABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1N1CCCC1=O ZINC000224963776 557672032 /nfs/dbraw/zinc/67/20/32/557672032.db2.gz DKJNVAAILKSMRH-UHFFFAOYSA-N 1 2 429.542 3.613 40 0 IHABLO CC1=C(C(N)=O)[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N2NC=NC2=[NH+]1 ZINC000000936891 568638802 /nfs/dbraw/zinc/63/88/02/568638802.db2.gz NUBWOPZCWWAWBE-GOSISDBHSA-N 1 2 430.295 3.591 40 0 IHABLO O=S(=O)(c1nc(-c2ccc(F)cc2)oc1NCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000256055594 568663642 /nfs/dbraw/zinc/66/36/42/568663642.db2.gz MOTSTTRXSKUKBN-UHFFFAOYSA-N 1 2 430.436 3.761 40 0 IHABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@@](O)(CC(C)C)[C@@H](Oc2cccc(F)c2)C1 ZINC000257226805 568677344 /nfs/dbraw/zinc/67/73/44/568677344.db2.gz FMGJDGGFAUXAHK-WIOPSUGQSA-N 1 2 439.531 3.781 40 0 IHABLO COCc1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4cnn(C)c4)n3)C2)ccc1OC(C)C ZINC000257231625 568679650 /nfs/dbraw/zinc/67/96/50/568679650.db2.gz GHNDTAUMXAAZSJ-VWLOTQADSA-N 1 2 436.556 3.989 40 0 IHABLO COCc1cc(C[N@H+]2CCO[C@H](c3cccc(-c4cnn(C)c4)n3)C2)ccc1OC(C)C ZINC000257231625 568679652 /nfs/dbraw/zinc/67/96/52/568679652.db2.gz GHNDTAUMXAAZSJ-VWLOTQADSA-N 1 2 436.556 3.989 40 0 IHABLO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)c2)cs1 ZINC000257255955 568691232 /nfs/dbraw/zinc/69/12/32/568691232.db2.gz KJNXCVBXIRFHMS-UPVQGACJSA-N 1 2 437.565 3.961 40 0 IHABLO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)c2)cs1 ZINC000257255955 568691235 /nfs/dbraw/zinc/69/12/35/568691235.db2.gz KJNXCVBXIRFHMS-UPVQGACJSA-N 1 2 437.565 3.961 40 0 IHABLO COc1ccc(-c2cccc([C@@H]3CN(C(=O)Cc4c(C)[nH+]c5ccccn54)CCO3)n2)cc1 ZINC000257260217 568693206 /nfs/dbraw/zinc/69/32/06/568693206.db2.gz LBVTUJGLXDCPHM-DEOSSOPVSA-N 1 2 442.519 3.856 40 0 IHABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000257297304 568710049 /nfs/dbraw/zinc/71/00/49/568710049.db2.gz RGSLYUQSZMPWCT-FQEVSTJZSA-N 1 2 449.599 3.734 40 0 IHABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000257297304 568710054 /nfs/dbraw/zinc/71/00/54/568710054.db2.gz RGSLYUQSZMPWCT-FQEVSTJZSA-N 1 2 449.599 3.734 40 0 IHABLO O=C(c1ccccc1CN1CCOCC1)N1CCC[C@@H](Cc2cccc3[nH+]ccn32)CC1 ZINC000257298640 568710606 /nfs/dbraw/zinc/71/06/06/568710606.db2.gz RMRQMBTYVCHTJT-OAQYLSRUSA-N 1 2 432.568 3.652 40 0 IHABLO Cn1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2n[nH]cc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000257316195 568718342 /nfs/dbraw/zinc/71/83/42/568718342.db2.gz VEOGMUKNXGINQT-KRWDZBQOSA-N 1 2 432.450 3.995 40 0 IHABLO Cn1ccc(NC(=O)C[N@H+]2CCCC[C@H]2c2n[nH]cc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000257316195 568718344 /nfs/dbraw/zinc/71/83/44/568718344.db2.gz VEOGMUKNXGINQT-KRWDZBQOSA-N 1 2 432.450 3.995 40 0 IHABLO CCc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)[nH+]3)C2)o1 ZINC000257322230 568721039 /nfs/dbraw/zinc/72/10/39/568721039.db2.gz WFCMQLYLQLOXKH-LJQANCHMSA-N 1 2 436.516 3.613 40 0 IHABLO COc1ccc(OC)c(CC[C@@H](C)Nc2cc(-c3c4c(nn3C)CCCC4)[nH+]c(N)n2)c1 ZINC000257333049 568725751 /nfs/dbraw/zinc/72/57/51/568725751.db2.gz XZWSHMAQUQKOJK-OAHLLOKOSA-N 1 2 436.560 3.789 40 0 IHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1c(F)cccc1Cl ZINC000261364212 568733417 /nfs/dbraw/zinc/73/34/17/568733417.db2.gz KAMDBTIZODLQIL-IBGZPJMESA-O 1 2 431.900 3.955 40 0 IHABLO CCCCOc1ccccc1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364297 568733497 /nfs/dbraw/zinc/73/34/97/568733497.db2.gz KMUZAFZIZDYJRE-QFIPXVFZSA-O 1 2 437.545 3.951 40 0 IHABLO COc1cccc(-c2ccc([C@@H]3C[N@H+](Cc4ccc5c(c4)n(C)c(=O)n5C)CCO3)nc2)c1 ZINC000019693674 569229142 /nfs/dbraw/zinc/22/91/42/569229142.db2.gz XWNHTGJITWUHFA-VWLOTQADSA-N 1 2 444.535 3.521 40 0 IHABLO COc1cccc(-c2ccc([C@@H]3C[N@@H+](Cc4ccc5c(c4)n(C)c(=O)n5C)CCO3)nc2)c1 ZINC000019693674 569229144 /nfs/dbraw/zinc/22/91/44/569229144.db2.gz XWNHTGJITWUHFA-VWLOTQADSA-N 1 2 444.535 3.521 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](CCCOc2ccc(F)cc2)CCO1 ZINC000019702907 569232523 /nfs/dbraw/zinc/23/25/23/569232523.db2.gz DECACTWNFGFZAN-GOSISDBHSA-N 1 2 429.517 3.637 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)CCO1 ZINC000019702907 569232524 /nfs/dbraw/zinc/23/25/24/569232524.db2.gz DECACTWNFGFZAN-GOSISDBHSA-N 1 2 429.517 3.637 40 0 IHABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CC[N@@H+]21 ZINC000253395198 291365775 /nfs/dbraw/zinc/36/57/75/291365775.db2.gz BQWBVMJTAKBSSY-QFIPXVFZSA-N 1 2 439.987 3.720 40 0 biogenic,in-vitro IHABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CC[N@H+]21 ZINC000253395198 291365776 /nfs/dbraw/zinc/36/57/76/291365776.db2.gz BQWBVMJTAKBSSY-QFIPXVFZSA-N 1 2 439.987 3.720 40 0 biogenic,in-vitro IHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497350 521304620 /nfs/dbraw/zinc/30/46/20/521304620.db2.gz ASKYGVKMRJNGRU-MSZDEVHKSA-N 1 2 434.536 3.856 40 0 IHABLO COc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000035291851 523683544 /nfs/dbraw/zinc/68/35/44/523683544.db2.gz IIHPVTYQTLMZOI-UHFFFAOYSA-N 1 2 435.446 3.547 40 0 IHABLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000020492971 524104226 /nfs/dbraw/zinc/10/42/26/524104226.db2.gz HFHDSAJXISXQOY-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO O=C1C2[C@H](c3cccnc3)[NH2+][C@H](c3cccnc3)C1[C@H](c1cccnc1)N[C@@H]2c1cccnc1 ZINC000035406260 526959337 /nfs/dbraw/zinc/95/93/37/526959337.db2.gz LDJCBJLZNMUUBF-MOOZEWOMSA-N 1 2 448.530 3.540 40 0 IHABLO Clc1ccc(OCc2nnc(SCC[NH+]3CCOCC3)n2Cc2ccco2)cc1 ZINC000035291600 526960105 /nfs/dbraw/zinc/96/01/05/526960105.db2.gz GKLXTAGTILVIBR-UHFFFAOYSA-N 1 2 434.949 3.576 40 0 IHABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000013504893 536594505 /nfs/dbraw/zinc/59/45/05/536594505.db2.gz GSDZSGIGSSKZPE-DEOSSOPVSA-N 1 2 434.588 3.866 40 0 IHABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000006301204 556084566 /nfs/dbraw/zinc/08/45/66/556084566.db2.gz HUQOPDRBMSLDQW-HSZRJFAPSA-N 1 2 428.540 3.755 40 0 IHABLO COc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1F ZINC000408695979 556098444 /nfs/dbraw/zinc/09/84/44/556098444.db2.gz XOTUSDBCDGAEFX-UHFFFAOYSA-N 1 2 440.540 3.930 40 0 IHABLO Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000016291099 556597668 /nfs/dbraw/zinc/59/76/68/556597668.db2.gz PNFMYMTXNXSKOP-UHFFFAOYSA-N 1 2 441.597 3.843 40 0 IHABLO Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000038752203 556615892 /nfs/dbraw/zinc/61/58/92/556615892.db2.gz MTFLBFVVJMFBOY-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](Cc3ccncc3F)C[C@H]21 ZINC000514288700 556625087 /nfs/dbraw/zinc/62/50/87/556625087.db2.gz ADIHUPOZIFGKBI-GGAORHGYSA-N 1 2 439.437 3.883 40 0 biogenic,in-vitro IHABLO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](Cc3ccncc3F)C[C@H]21 ZINC000514288700 556625091 /nfs/dbraw/zinc/62/50/91/556625091.db2.gz ADIHUPOZIFGKBI-GGAORHGYSA-N 1 2 439.437 3.883 40 0 biogenic,in-vitro IHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@H](Cc2cccc3n[nH]cc32)CC1 ZINC000257201897 556701278 /nfs/dbraw/zinc/70/12/78/556701278.db2.gz AJOBKVYINUIUFZ-FQEVSTJZSA-N 1 2 432.568 3.880 40 0 IHABLO CN1C(=O)CCCC[C@]12CN(C(=O)c1cccc(Cn3cc[nH+]c3)c1)C[C@H]2c1ccccc1 ZINC000257295035 556716773 /nfs/dbraw/zinc/71/67/73/556716773.db2.gz QWRBPEWQLWXPCX-RPLLCQBOSA-N 1 2 442.563 3.942 40 0 IHABLO Cc1cc(C(=O)[C@@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)ccc1Cl ZINC000019366134 556745959 /nfs/dbraw/zinc/74/59/59/556745959.db2.gz ZIMMQXHOWGZONK-XZOQPEGZSA-N 1 2 428.960 3.605 40 0 IHABLO O=C(c1cccc2ccccc21)[C@H]([C@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019366034 556746058 /nfs/dbraw/zinc/74/60/58/556746058.db2.gz NYOGKFRLXNPOAH-UIOOFZCWSA-N 1 2 430.548 3.797 40 0 IHABLO O=C(C[NH+]1Cc2ccccc2C1)NCCn1ncc(-c2ccncc2)c1-c1ccc(F)cc1 ZINC000019375544 556751425 /nfs/dbraw/zinc/75/14/25/556751425.db2.gz BVWZTATYYFXSOG-UHFFFAOYSA-N 1 2 441.510 3.883 40 0 IHABLO CCC(CC)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)C5CCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019500288 556772385 /nfs/dbraw/zinc/77/23/85/556772385.db2.gz JQLLIFZTAFUXAR-UHFFFAOYSA-N 1 2 439.604 3.878 40 0 IHABLO CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)C5CCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019500288 556772389 /nfs/dbraw/zinc/77/23/89/556772389.db2.gz JQLLIFZTAFUXAR-UHFFFAOYSA-N 1 2 439.604 3.878 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)[NH+]3CCC(C)CC3)cc2c1 ZINC000001382494 556797208 /nfs/dbraw/zinc/79/72/08/556797208.db2.gz OQMAZSGMQHMZGS-QFIPXVFZSA-N 1 2 432.528 3.540 40 0 IHABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)cc2c1 ZINC000006300825 556832160 /nfs/dbraw/zinc/83/21/60/556832160.db2.gz UWOZHMNKOGSNRC-QHCPKHFHSA-N 1 2 446.530 3.894 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006409351 556834834 /nfs/dbraw/zinc/83/48/34/556834834.db2.gz NGNRMNZVNJJHHR-HSZRJFAPSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)c(=O)[nH]c12 ZINC000006444130 556836683 /nfs/dbraw/zinc/83/66/83/556836683.db2.gz YKKCZADJNDCLCP-HSZRJFAPSA-N 1 2 428.540 3.693 40 0 IHABLO COCc1nc2ccccc2n1CC(=O)N1CCC[C@H]1c1ccc(-c2ccc(N)[nH+]c2)cn1 ZINC000019688667 556843477 /nfs/dbraw/zinc/84/34/77/556843477.db2.gz DYYFFBITECYSPN-NRFANRHFSA-N 1 2 442.523 3.586 40 0 IHABLO Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](c2ccc(-c3ccc(N)[nH+]c3)cn2)C1 ZINC000019689283 556843995 /nfs/dbraw/zinc/84/39/95/556843995.db2.gz MYNBOTTUTADQAE-GOSISDBHSA-N 1 2 426.517 3.742 40 0 IHABLO COc1c(C)cccc1C[N@@H+]1CCO[C@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697581 556855077 /nfs/dbraw/zinc/85/50/77/556855077.db2.gz DMVUMDSANNKXDE-IBGZPJMESA-N 1 2 440.565 3.514 40 0 IHABLO COc1c(C)cccc1C[N@H+]1CCO[C@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697581 556855080 /nfs/dbraw/zinc/85/50/80/556855080.db2.gz DMVUMDSANNKXDE-IBGZPJMESA-N 1 2 440.565 3.514 40 0 IHABLO Cc1c(C[N@@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)cnn1C ZINC000019740642 556881090 /nfs/dbraw/zinc/88/10/90/556881090.db2.gz PAAQUKNOAPBGRM-JOCHJYFZSA-N 1 2 448.546 3.783 40 0 IHABLO Cc1c(C[N@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)cnn1C ZINC000019740642 556881093 /nfs/dbraw/zinc/88/10/93/556881093.db2.gz PAAQUKNOAPBGRM-JOCHJYFZSA-N 1 2 448.546 3.783 40 0 IHABLO Cc1nc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019741648 556884477 /nfs/dbraw/zinc/88/44/77/556884477.db2.gz TWCWAFCRWSZYAT-SFHVURJKSA-N 1 2 434.519 3.506 40 0 IHABLO Cc1nc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019741648 556884481 /nfs/dbraw/zinc/88/44/81/556884481.db2.gz TWCWAFCRWSZYAT-SFHVURJKSA-N 1 2 434.519 3.506 40 0 IHABLO Cc1nc([C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019741648 556884485 /nfs/dbraw/zinc/88/44/85/556884485.db2.gz TWCWAFCRWSZYAT-SFHVURJKSA-N 1 2 434.519 3.506 40 0 IHABLO Cc1cc(NC(=O)C[NH+]2CCC([C@@H]3CCCCN(CCc4ccccc4)C3=O)CC2)no1 ZINC000019743992 556889434 /nfs/dbraw/zinc/88/94/34/556889434.db2.gz RAAZVHZAJZWEOJ-QFIPXVFZSA-N 1 2 438.572 3.505 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCO[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019759613 556903469 /nfs/dbraw/zinc/90/34/69/556903469.db2.gz IFYHWKORQXZWOY-XMMPIXPASA-N 1 2 441.535 3.521 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCO[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019759613 556903470 /nfs/dbraw/zinc/90/34/70/556903470.db2.gz IFYHWKORQXZWOY-XMMPIXPASA-N 1 2 441.535 3.521 40 0 IHABLO O=C(c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000408980389 556909025 /nfs/dbraw/zinc/90/90/25/556909025.db2.gz WDJDQHMJFJPKKH-UHFFFAOYSA-N 1 2 449.518 3.977 40 0 IHABLO COc1cccc(CNC(=O)c2cnc([C@H]3CCCC[N@@H+]3Cc3cccnc3)nc2C)c1 ZINC000019766264 556911370 /nfs/dbraw/zinc/91/13/70/556911370.db2.gz ICCISJCUNUIBMP-HSZRJFAPSA-N 1 2 431.540 3.846 40 0 IHABLO COc1cccc(CNC(=O)c2cnc([C@H]3CCCC[N@H+]3Cc3cccnc3)nc2C)c1 ZINC000019766264 556911375 /nfs/dbraw/zinc/91/13/75/556911375.db2.gz ICCISJCUNUIBMP-HSZRJFAPSA-N 1 2 431.540 3.846 40 0 IHABLO CC(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000072352608 556924840 /nfs/dbraw/zinc/92/48/40/556924840.db2.gz LHQGBCLPTJKSEE-IBGZPJMESA-N 1 2 448.592 3.985 40 0 IHABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccnc(Nc4ncccc4C)n3)C2)cc1 ZINC000072377591 556956262 /nfs/dbraw/zinc/95/62/62/556956262.db2.gz FYBPSHLNTSDECW-SFHVURJKSA-N 1 2 432.528 3.750 40 0 IHABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccnc(Nc4ncccc4C)n3)C2)cc1 ZINC000072377591 556956266 /nfs/dbraw/zinc/95/62/66/556956266.db2.gz FYBPSHLNTSDECW-SFHVURJKSA-N 1 2 432.528 3.750 40 0 IHABLO COc1ccccc1C(=O)N1CC[NH+](Cc2c3cc(C)cnc3[nH]c2C(F)(F)F)CC1 ZINC000072395397 556967257 /nfs/dbraw/zinc/96/72/57/556967257.db2.gz PXPLHQCTBGPYNT-UHFFFAOYSA-N 1 2 432.446 3.857 40 0 IHABLO OCCC[NH2+][C@@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 ZINC000072396324 556969278 /nfs/dbraw/zinc/96/92/78/556969278.db2.gz RWJGXKFBYKMTMW-FQEVSTJZSA-N 1 2 434.500 3.525 40 0 IHABLO O=S(=O)(c1ccc2c(c1)CCN2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000078403700 557004877 /nfs/dbraw/zinc/00/48/77/557004877.db2.gz KYVDXNWUXBTLOO-UHFFFAOYSA-N 1 2 433.577 3.751 40 0 IHABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccsc3)C[C@@]23CCCN(CC2CC2)C3=O)c1 ZINC000585106652 557040452 /nfs/dbraw/zinc/04/04/52/557040452.db2.gz DOWYLJLLBBDEJC-XXBNENTESA-N 1 2 426.586 3.784 40 0 IHABLO COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CC[N@H+](C)C2 ZINC000008793130 557171391 /nfs/dbraw/zinc/17/13/91/557171391.db2.gz NKNZKHQYBMTBJF-UHFFFAOYSA-N 1 2 429.325 3.847 40 0 IHABLO COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CC[N@@H+](C)C2 ZINC000008793130 557171396 /nfs/dbraw/zinc/17/13/96/557171396.db2.gz NKNZKHQYBMTBJF-UHFFFAOYSA-N 1 2 429.325 3.847 40 0 IHABLO CC(C)C(=O)N1CCc2c(nc3cc(C4CC[NH+](C[C@H]5CC=CCC5)CC4)[nH]n3c2=O)C1 ZINC000100232739 557250061 /nfs/dbraw/zinc/25/00/61/557250061.db2.gz MTOOEBKKYSETPS-SFHVURJKSA-N 1 2 437.588 3.511 40 0 IHABLO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025063958 557335817 /nfs/dbraw/zinc/33/58/17/557335817.db2.gz FBOJBDNEUCZMLK-UHFFFAOYSA-N 1 2 428.916 3.953 40 0 IHABLO O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015345308 557461382 /nfs/dbraw/zinc/46/13/82/557461382.db2.gz CNDDVGAEMMTSCY-UHFFFAOYSA-N 1 2 441.578 3.507 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCc4ccccc4C3)c(=O)[nH]c12 ZINC000019236411 557498326 /nfs/dbraw/zinc/49/83/26/557498326.db2.gz AXEHOKMPJRAXCV-JOCHJYFZSA-N 1 2 428.540 3.726 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCc4ccccc4C3)c(=O)[nH]c12 ZINC000019236411 557498331 /nfs/dbraw/zinc/49/83/31/557498331.db2.gz AXEHOKMPJRAXCV-JOCHJYFZSA-N 1 2 428.540 3.726 40 0 IHABLO O=C(Cn1ccc(=O)c2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225720295 557768303 /nfs/dbraw/zinc/76/83/03/557768303.db2.gz IYURJISGTRKYMZ-UHFFFAOYSA-N 1 2 437.543 3.935 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000033936877 557810436 /nfs/dbraw/zinc/81/04/36/557810436.db2.gz IYAMYDGJJLKJQR-MHECFPHRSA-N 1 2 442.567 3.887 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3CCc3ccccc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000033936877 557810438 /nfs/dbraw/zinc/81/04/38/557810438.db2.gz IYAMYDGJJLKJQR-MHECFPHRSA-N 1 2 442.567 3.887 40 0 IHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000095202031 557836822 /nfs/dbraw/zinc/83/68/22/557836822.db2.gz KIZHVHZKNYXRBU-FQEVSTJZSA-N 1 2 440.592 3.612 40 0 IHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000095202031 557836825 /nfs/dbraw/zinc/83/68/25/557836825.db2.gz KIZHVHZKNYXRBU-FQEVSTJZSA-N 1 2 440.592 3.612 40 0 IHABLO COc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)cc1Cl ZINC000257204593 568667190 /nfs/dbraw/zinc/66/71/90/568667190.db2.gz AVJDIVXVANDTBY-FPOVZHCZSA-N 1 2 439.339 3.845 40 0 IHABLO COc1ccc(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)cc1Cl ZINC000257204593 568667192 /nfs/dbraw/zinc/66/71/92/568667192.db2.gz AVJDIVXVANDTBY-FPOVZHCZSA-N 1 2 439.339 3.845 40 0 IHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000257223508 568675786 /nfs/dbraw/zinc/67/57/86/568675786.db2.gz DXQJYAPKIBQHIP-OAQYLSRUSA-N 1 2 449.477 3.840 40 0 IHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000257223508 568675788 /nfs/dbraw/zinc/67/57/88/568675788.db2.gz DXQJYAPKIBQHIP-OAQYLSRUSA-N 1 2 449.477 3.840 40 0 IHABLO O=C(C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257285224 568704451 /nfs/dbraw/zinc/70/44/51/568704451.db2.gz PGELNHZBOXCGOC-REWPJTCUSA-N 1 2 432.467 3.677 40 0 IHABLO O=C(C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257285224 568704454 /nfs/dbraw/zinc/70/44/54/568704454.db2.gz PGELNHZBOXCGOC-REWPJTCUSA-N 1 2 432.467 3.677 40 0 IHABLO CCc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)[nH+]3)C2)o1 ZINC000257322229 568721088 /nfs/dbraw/zinc/72/10/88/568721088.db2.gz WFCMQLYLQLOXKH-IBGZPJMESA-N 1 2 436.516 3.613 40 0 IHABLO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cnn(C(C)C)c1)CC21CCN(c2ncccn2)CC1 ZINC000306133785 568768122 /nfs/dbraw/zinc/76/81/22/568768122.db2.gz MWBVOGPLTULDCH-UHFFFAOYSA-N 1 2 448.619 3.894 40 0 IHABLO Cc1nc2c(n1C(C)C)C[N@H+](Cc1cnn(C(C)C)c1)CC21CCN(c2ncccn2)CC1 ZINC000306133785 568768123 /nfs/dbraw/zinc/76/81/23/568768123.db2.gz MWBVOGPLTULDCH-UHFFFAOYSA-N 1 2 448.619 3.894 40 0 IHABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1cnn(C(C)C)c1)CC21CCN(c2ncccn2)CC1 ZINC000306133785 568768125 /nfs/dbraw/zinc/76/81/25/568768125.db2.gz MWBVOGPLTULDCH-UHFFFAOYSA-N 1 2 448.619 3.894 40 0 IHABLO COc1ccc(-c2cnc3c(N4CC[NH+](Cc5cnn(C(C)C)c5)CC4)nccn23)cc1 ZINC000306144240 568773624 /nfs/dbraw/zinc/77/36/24/568773624.db2.gz ZAHUFYJSELUKJK-UHFFFAOYSA-N 1 2 431.544 3.505 40 0 IHABLO CC[C@@H](C)Nc1nc(Nc2ccc(I)cc2F)cc(C2CC2)[nH+]1 ZINC000329014346 568809263 /nfs/dbraw/zinc/80/92/63/568809263.db2.gz MUUJMJJMYIWVTA-SNVBAGLBSA-N 1 2 426.277 3.896 40 0 IHABLO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@H+](Cc3cnc(C)s3)CCO2)cc1 ZINC000019693036 569228625 /nfs/dbraw/zinc/22/86/25/569228625.db2.gz FPLYEVWAUBYHCT-FQEVSTJZSA-N 1 2 425.558 3.557 40 0 IHABLO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@@H+](Cc3cnc(C)s3)CCO2)cc1 ZINC000019693036 569228626 /nfs/dbraw/zinc/22/86/26/569228626.db2.gz FPLYEVWAUBYHCT-FQEVSTJZSA-N 1 2 425.558 3.557 40 0 IHABLO O=C(NCCO)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2cccc3cccnc32)CCO1 ZINC000019697638 569326851 /nfs/dbraw/zinc/32/68/51/569326851.db2.gz HRHQCIPMSBHADE-FQEVSTJZSA-N 1 2 447.560 3.745 40 0 IHABLO O=C(NCCO)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CCO1 ZINC000019697638 569326853 /nfs/dbraw/zinc/32/68/53/569326853.db2.gz HRHQCIPMSBHADE-FQEVSTJZSA-N 1 2 447.560 3.745 40 0 IHABLO Cn1cc(C[N@@H+]2CCO[C@H](c3c4ccccc4sc3C(=O)NCCO)C2)c2ccccc21 ZINC000019697593 569326943 /nfs/dbraw/zinc/32/69/43/569326943.db2.gz UKMFTZLYZKXVFQ-NRFANRHFSA-N 1 2 449.576 3.689 40 0 IHABLO Cn1cc(C[N@H+]2CCO[C@H](c3c4ccccc4sc3C(=O)NCCO)C2)c2ccccc21 ZINC000019697593 569326944 /nfs/dbraw/zinc/32/69/44/569326944.db2.gz UKMFTZLYZKXVFQ-NRFANRHFSA-N 1 2 449.576 3.689 40 0 IHABLO Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(C[N@H+](C)Cc3ccc(O)cc3)nc21 ZINC000019703455 569327295 /nfs/dbraw/zinc/32/72/95/569327295.db2.gz RLSMQDYUWAKQTB-UHFFFAOYSA-N 1 2 446.551 3.789 40 0 IHABLO Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(C[N@@H+](C)Cc3ccc(O)cc3)nc21 ZINC000019703455 569327296 /nfs/dbraw/zinc/32/72/96/569327296.db2.gz RLSMQDYUWAKQTB-UHFFFAOYSA-N 1 2 446.551 3.789 40 0 IHABLO CC(C)[C@H](CO)Nc1nc(Nc2ccccc2I)cc(C2CC2)[nH+]1 ZINC000329042598 569583441 /nfs/dbraw/zinc/58/34/41/569583441.db2.gz SOTULTVEHUAKOS-INIZCTEOSA-N 1 2 438.313 4.131 40 0 IHABLO CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030881720 291365909 /nfs/dbraw/zinc/36/59/09/291365909.db2.gz NKPOTKQXOFLPLI-VABKMULXSA-N 1 2 438.616 3.501 40 0 biogenic,in-vitro IHABLO CCC(CC)C(=O)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474605 291366230 /nfs/dbraw/zinc/36/62/30/291366230.db2.gz OTSCWAGGSMKPMA-UHFFFAOYSA-N 1 2 427.614 3.948 40 0 biogenic,in-vitro IHABLO CCC(CC)C(=O)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474605 291366231 /nfs/dbraw/zinc/36/62/31/291366231.db2.gz OTSCWAGGSMKPMA-UHFFFAOYSA-N 1 2 427.614 3.948 40 0 biogenic,in-vitro IHABLO c1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)cc2c1OCO2 ZINC000049155318 291377198 /nfs/dbraw/zinc/37/71/98/291377198.db2.gz WXSOBVSWSRDVRI-IBGZPJMESA-N 1 2 428.452 3.654 40 0 biogenic,in-vitro IHABLO c1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)cc2c1OCO2 ZINC000049155318 291377199 /nfs/dbraw/zinc/37/71/99/291377199.db2.gz WXSOBVSWSRDVRI-IBGZPJMESA-N 1 2 428.452 3.654 40 0 biogenic,in-vitro IHABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000013504878 132348405 /nfs/dbraw/zinc/34/84/05/132348405.db2.gz HNOIRYGOPOOPBG-OAQYLSRUSA-N 1 2 440.979 3.965 40 0 IHABLO C[N@@H+]1C[C@@H](NC(=O)COc2ccccc2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529888 524010128 /nfs/dbraw/zinc/01/01/28/524010128.db2.gz ORJLIKQDXKQDLD-UNMCSNQZSA-N 1 2 428.492 3.830 40 0 biogenic,in-vitro IHABLO C[N@H+]1C[C@@H](NC(=O)COc2ccccc2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529888 524010133 /nfs/dbraw/zinc/01/01/33/524010133.db2.gz ORJLIKQDXKQDLD-UNMCSNQZSA-N 1 2 428.492 3.830 40 0 biogenic,in-vitro IHABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc3ccccc3c2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464366 524012503 /nfs/dbraw/zinc/01/25/03/524012503.db2.gz IQFNZRIMWJMOEL-PMACEKPBSA-N 1 2 442.475 3.794 40 0 biogenic,in-vitro IHABLO C[N@H+]1C[C@@H](NC(=O)c2ccc3ccccc3c2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464366 524012507 /nfs/dbraw/zinc/01/25/07/524012507.db2.gz IQFNZRIMWJMOEL-PMACEKPBSA-N 1 2 442.475 3.794 40 0 biogenic,in-vitro IHABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000022529951 527386390 /nfs/dbraw/zinc/38/63/90/527386390.db2.gz ARWZVDHXMYUSOG-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO S=C(NCC[NH+]1CCOCC1)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408575914 555926684 /nfs/dbraw/zinc/92/66/84/555926684.db2.gz OVPKERGZMAYMMG-UHFFFAOYSA-N 1 2 435.387 3.625 40 0 IHABLO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000015307530 556518268 /nfs/dbraw/zinc/51/82/68/556518268.db2.gz YLKJLBDJFQRKFK-LJQANCHMSA-N 1 2 436.314 3.895 40 0 IHABLO COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NCCCn3cc[nH+]c3)CCCO2)cc1 ZINC000257216787 556702999 /nfs/dbraw/zinc/70/29/99/556702999.db2.gz CWAXMHJATPYXBL-VWLOTQADSA-N 1 2 437.515 3.996 40 0 IHABLO COc1ccc([C@H]2CN(CC(=O)NC(c3ccccc3)c3ccccc3)CC[N@@H+]2C)cc1 ZINC000257338237 556706820 /nfs/dbraw/zinc/70/68/20/556706820.db2.gz YWOBSHZSPJOLLQ-RUZDIDTESA-N 1 2 429.564 3.890 40 0 IHABLO COc1ccc([C@H]2CN(CC(=O)NC(c3ccccc3)c3ccccc3)CC[N@H+]2C)cc1 ZINC000257338237 556706821 /nfs/dbraw/zinc/70/68/21/556706821.db2.gz YWOBSHZSPJOLLQ-RUZDIDTESA-N 1 2 429.564 3.890 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC2(C[C@H](Oc3ccc(F)cc3)CO2)CC1 ZINC000257273332 556714059 /nfs/dbraw/zinc/71/40/59/556714059.db2.gz NGDQBHSWMDGWND-QHCPKHFHSA-N 1 2 435.499 3.913 40 0 IHABLO Nc1ncc(C[N@@H+](Cc2ccco2)C[C@H](O)Cn2c3ccccc3c3ccccc32)cn1 ZINC000019376181 556751748 /nfs/dbraw/zinc/75/17/48/556751748.db2.gz QQHCFHPZTVMADO-IBGZPJMESA-N 1 2 427.508 3.823 40 0 IHABLO Nc1ncc(C[N@H+](Cc2ccco2)C[C@H](O)Cn2c3ccccc3c3ccccc32)cn1 ZINC000019376181 556751750 /nfs/dbraw/zinc/75/17/50/556751750.db2.gz QQHCFHPZTVMADO-IBGZPJMESA-N 1 2 427.508 3.823 40 0 IHABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)CCC5CCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448141 556756926 /nfs/dbraw/zinc/75/69/26/556756926.db2.gz NKAPUAKCAFASDA-UHFFFAOYSA-N 1 2 439.604 3.878 40 0 IHABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)CCC5CCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448141 556756930 /nfs/dbraw/zinc/75/69/30/556756930.db2.gz NKAPUAKCAFASDA-UHFFFAOYSA-N 1 2 439.604 3.878 40 0 IHABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H](C)c5ccccc5)CC4)[nH]n3c(=O)c2C1 ZINC000019448117 556757258 /nfs/dbraw/zinc/75/72/58/556757258.db2.gz FTSODQDPMRQUOL-SFHVURJKSA-N 1 2 447.583 3.711 40 0 IHABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H](C)c5ccccc5)CC4)[nH]n3c(=O)c2C1 ZINC000019448117 556757260 /nfs/dbraw/zinc/75/72/60/556757260.db2.gz FTSODQDPMRQUOL-SFHVURJKSA-N 1 2 447.583 3.711 40 0 IHABLO CCCN1CC[N@H+](Cc2nccn2CC)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503289 556775035 /nfs/dbraw/zinc/77/50/35/556775035.db2.gz VGXXWKKDOSKYHU-HSZRJFAPSA-N 1 2 431.584 3.878 40 0 IHABLO CCCN1CC[N@@H+](Cc2nccn2CC)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503289 556775036 /nfs/dbraw/zinc/77/50/36/556775036.db2.gz VGXXWKKDOSKYHU-HSZRJFAPSA-N 1 2 431.584 3.878 40 0 IHABLO C[N@@H+]1CCO[C@H](c2c3ccccc3sc2C(=O)N2CCN(C3CCCCC3)C(=O)C2)C1 ZINC000019696698 556853423 /nfs/dbraw/zinc/85/34/23/556853423.db2.gz OVIMNXHIBRPSGU-IBGZPJMESA-N 1 2 441.597 3.522 40 0 IHABLO C[N@H+]1CCO[C@H](c2c3ccccc3sc2C(=O)N2CCN(C3CCCCC3)C(=O)C2)C1 ZINC000019696698 556853426 /nfs/dbraw/zinc/85/34/26/556853426.db2.gz OVIMNXHIBRPSGU-IBGZPJMESA-N 1 2 441.597 3.522 40 0 IHABLO COc1ccccc1CN1CCCc2c(C)nc(C3CC[NH+](Cc4ncc[nH]4)CC3)nc21 ZINC000019705715 556863024 /nfs/dbraw/zinc/86/30/24/556863024.db2.gz WLHKMJHJCSKNBH-UHFFFAOYSA-N 1 2 432.572 3.849 40 0 IHABLO COc1cccc(CNC(=O)c2cnc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)nc2C)c1 ZINC000019766263 556911276 /nfs/dbraw/zinc/91/12/76/556911276.db2.gz ICCISJCUNUIBMP-QHCPKHFHSA-N 1 2 431.540 3.846 40 0 IHABLO COc1cccc(CNC(=O)c2cnc([C@@H]3CCCC[N@H+]3Cc3cccnc3)nc2C)c1 ZINC000019766263 556911278 /nfs/dbraw/zinc/91/12/78/556911278.db2.gz ICCISJCUNUIBMP-QHCPKHFHSA-N 1 2 431.540 3.846 40 0 IHABLO CN1CC[NH+](Cc2ccc(-c3cn[nH]c3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000072360814 556933260 /nfs/dbraw/zinc/93/32/60/556933260.db2.gz MXCFYXRVLCZHJJ-OAQYLSRUSA-N 1 2 439.604 3.939 40 0 IHABLO CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(n[nH]c3NCc3ccccc3)n2)CC1 ZINC000072374506 556948232 /nfs/dbraw/zinc/94/82/32/556948232.db2.gz WCBNZFDTVHLYMK-QFIPXVFZSA-N 1 2 432.572 3.965 40 0 IHABLO CC1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(n[nH]c3NCc3ccccc3)n2)CC1 ZINC000072374506 556948234 /nfs/dbraw/zinc/94/82/34/556948234.db2.gz WCBNZFDTVHLYMK-QFIPXVFZSA-N 1 2 432.572 3.965 40 0 IHABLO CNc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc3ncccc3c2)nc2c1CCN(C(C)=O)C2 ZINC000072376568 556955151 /nfs/dbraw/zinc/95/51/51/556955151.db2.gz HUDLLGRGQLKGGZ-QHCPKHFHSA-N 1 2 430.556 3.698 40 0 IHABLO CNc1nc([C@@H]2CCCC[N@H+]2Cc2ccc3ncccc3c2)nc2c1CCN(C(C)=O)C2 ZINC000072376568 556955152 /nfs/dbraw/zinc/95/51/52/556955152.db2.gz HUDLLGRGQLKGGZ-QHCPKHFHSA-N 1 2 430.556 3.698 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2cn(C(C)=O)c3ccccc23)CCO1 ZINC000072383121 556958615 /nfs/dbraw/zinc/95/86/15/556958615.db2.gz JCVVSKPFMCGHER-HXUWFJFHSA-N 1 2 448.548 3.844 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2cn(C(C)=O)c3ccccc23)CCO1 ZINC000072383121 556958618 /nfs/dbraw/zinc/95/86/18/556958618.db2.gz JCVVSKPFMCGHER-HXUWFJFHSA-N 1 2 448.548 3.844 40 0 IHABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)CCOc2ccc(F)cc2)CC3)c1 ZINC000585111088 557045782 /nfs/dbraw/zinc/04/57/82/557045782.db2.gz CXVZLNUUBHIEQA-UHFFFAOYSA-N 1 2 436.487 3.501 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000006196887 557149476 /nfs/dbraw/zinc/14/94/76/557149476.db2.gz WNZPDHCPDPHAHJ-QHCPKHFHSA-N 1 2 444.539 3.537 40 0 IHABLO COc1cccc(C[N@@H+]2Cc3ccccc3[C@@]23CO[C@@H](C(=O)N(C)Cc2ccccn2)C3)c1 ZINC000096143956 557171334 /nfs/dbraw/zinc/17/13/34/557171334.db2.gz YRLILHNLLBKCDK-XNMGPUDCSA-N 1 2 443.547 3.749 40 0 IHABLO COc1cccc(C[N@H+]2Cc3ccccc3[C@@]23CO[C@@H](C(=O)N(C)Cc2ccccn2)C3)c1 ZINC000096143956 557171338 /nfs/dbraw/zinc/17/13/38/557171338.db2.gz YRLILHNLLBKCDK-XNMGPUDCSA-N 1 2 443.547 3.749 40 0 IHABLO Cc1cc(NC(=O)c2ccc3ccc(N4CCN(C(=O)c5ccccc5)CC4)n3c2)cc[nH+]1 ZINC000096155998 557180830 /nfs/dbraw/zinc/18/08/30/557180830.db2.gz ODEDKTKXJWPSCL-UHFFFAOYSA-N 1 2 439.519 3.857 40 0 IHABLO Cc1[nH+]c(-c2cc(C(=O)NCCc3cccnc3)c3ccccn23)cn1Cc1cccnc1 ZINC000096266824 557192468 /nfs/dbraw/zinc/19/24/68/557192468.db2.gz KRAULUFMQZTGTC-UHFFFAOYSA-N 1 2 436.519 3.922 40 0 IHABLO COc1ccc(C[NH2+][C@H](c2cc(=O)n3[nH]c(C4CCOCC4)cc3n2)C(C)C)cc1OC ZINC000100730055 557272620 /nfs/dbraw/zinc/27/26/20/557272620.db2.gz JCAOFSIXCNWWME-DEOSSOPVSA-N 1 2 440.544 3.833 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)cc2c1 ZINC000013065570 557279267 /nfs/dbraw/zinc/27/92/67/557279267.db2.gz CGBUFMVFPJUYDL-UHFFFAOYSA-N 1 2 446.530 3.955 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)cc2c1 ZINC000013065570 557279269 /nfs/dbraw/zinc/27/92/69/557279269.db2.gz CGBUFMVFPJUYDL-UHFFFAOYSA-N 1 2 446.530 3.955 40 0 IHABLO COc1cccc(C[N@@H+]2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)c1OC ZINC000072351667 557386263 /nfs/dbraw/zinc/38/62/63/557386263.db2.gz VWPZOIXXVZOUKR-HSZRJFAPSA-N 1 2 431.536 3.651 40 0 IHABLO COc1cccc(C[N@H+]2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)c1OC ZINC000072351667 557386266 /nfs/dbraw/zinc/38/62/66/557386266.db2.gz VWPZOIXXVZOUKR-HSZRJFAPSA-N 1 2 431.536 3.651 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1CCC[NH+]1CCOCC1 ZINC000223205434 557445999 /nfs/dbraw/zinc/44/59/99/557445999.db2.gz XKEQTNODISKDMT-XZOQPEGZSA-N 1 2 439.629 3.693 40 0 IHABLO CC[NH+]1CCN(c2ccc(C(=O)OC(C)C)cc2S(=O)(=O)Nc2ccc(C)cc2)CC1 ZINC000223423780 557470760 /nfs/dbraw/zinc/47/07/60/557470760.db2.gz NASNLXLJTFWYDO-UHFFFAOYSA-N 1 2 445.585 3.503 40 0 IHABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1cc2cc(OC)ccc2[nH]c1=O ZINC000019526613 557501859 /nfs/dbraw/zinc/50/18/59/557501859.db2.gz KGPQXRZEGQZOFO-JOCHJYFZSA-N 1 2 446.555 3.890 40 0 IHABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1cc2cc(OC)ccc2[nH]c1=O ZINC000019526613 557501862 /nfs/dbraw/zinc/50/18/62/557501862.db2.gz KGPQXRZEGQZOFO-JOCHJYFZSA-N 1 2 446.555 3.890 40 0 IHABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000015675015 560094975 /nfs/dbraw/zinc/09/49/75/560094975.db2.gz XHMWNNZGFLKFEM-ZBFHGGJFSA-N 1 2 449.385 3.672 40 0 biogenic,in-vitro IHABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000015675015 560094976 /nfs/dbraw/zinc/09/49/76/560094976.db2.gz XHMWNNZGFLKFEM-ZBFHGGJFSA-N 1 2 449.385 3.672 40 0 biogenic,in-vitro IHABLO Cc1cccc([C@@]2(C(=O)N(C)C)CCC[N@@H+]2Cc2ccccc2OCc2cccnc2)n1 ZINC000257210571 568670000 /nfs/dbraw/zinc/67/00/00/568670000.db2.gz BVETXTGSOCSYMV-AREMUKBSSA-N 1 2 430.552 3.944 40 0 IHABLO Cc1cccc([C@@]2(C(=O)N(C)C)CCC[N@H+]2Cc2ccccc2OCc2cccnc2)n1 ZINC000257210571 568670001 /nfs/dbraw/zinc/67/00/01/568670001.db2.gz BVETXTGSOCSYMV-AREMUKBSSA-N 1 2 430.552 3.944 40 0 IHABLO Cc1nc2cc([C@H]3CCC[N@@H+]3Cc3ccc(O)cc3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257217390 568673036 /nfs/dbraw/zinc/67/30/36/568673036.db2.gz CYSZRJJMWFGEPL-XMMPIXPASA-N 1 2 447.583 3.944 40 0 IHABLO Cc1nc2cc([C@H]3CCC[N@H+]3Cc3ccc(O)cc3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257217390 568673041 /nfs/dbraw/zinc/67/30/41/568673041.db2.gz CYSZRJJMWFGEPL-XMMPIXPASA-N 1 2 447.583 3.944 40 0 IHABLO CCc1nnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)COc4ccccc4)CCO3)c2)s1 ZINC000257242488 568684952 /nfs/dbraw/zinc/68/49/52/568684952.db2.gz ICTLRJVZKRCDIE-LJQANCHMSA-N 1 2 439.541 3.526 40 0 IHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1Oc1cccc(F)c1 ZINC000257272016 568698527 /nfs/dbraw/zinc/69/85/27/568698527.db2.gz NATCRKPMESPVJJ-ICSRJNTNSA-N 1 2 426.410 3.687 40 0 IHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1Oc1cccc(F)c1 ZINC000257272016 568698530 /nfs/dbraw/zinc/69/85/30/568698530.db2.gz NATCRKPMESPVJJ-ICSRJNTNSA-N 1 2 426.410 3.687 40 0 IHABLO CNc1cc([C@@H]2CCCN2C(=O)C2(Cc3cccc(F)c3)CCN(C(C)=O)CC2)cc[nH+]1 ZINC000257273391 568699219 /nfs/dbraw/zinc/69/92/19/568699219.db2.gz NGJCUJLZEJOSON-QFIPXVFZSA-N 1 2 438.547 3.797 40 0 IHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CCNc2ncnc3ccccc32)n1 ZINC000257283254 568703585 /nfs/dbraw/zinc/70/35/85/568703585.db2.gz OXLZYWIFAPHEEC-NRFANRHFSA-N 1 2 441.539 3.939 40 0 IHABLO CC[C@H](C)Nc1nc(Nc2ccc(I)cc2F)cc(C2CC2)[nH+]1 ZINC000329014345 568809192 /nfs/dbraw/zinc/80/91/92/568809192.db2.gz MUUJMJJMYIWVTA-JTQLQIEISA-N 1 2 426.277 3.896 40 0 IHABLO OCCNc1nc(NCc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329015860 568809531 /nfs/dbraw/zinc/80/95/31/568809531.db2.gz NCTYWSYCZVYLOD-UHFFFAOYSA-N 1 2 438.837 3.556 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000227120774 569183049 /nfs/dbraw/zinc/18/30/49/569183049.db2.gz IYAMYDGJJLKJQR-HOYKHHGWSA-N 1 2 442.567 3.887 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3CCc3ccccc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000227120774 569183050 /nfs/dbraw/zinc/18/30/50/569183050.db2.gz IYAMYDGJJLKJQR-HOYKHHGWSA-N 1 2 442.567 3.887 40 0 IHABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)n1 ZINC000019692994 569228381 /nfs/dbraw/zinc/22/83/81/569228381.db2.gz XBDVQBVLBTUWCZ-FQEVSTJZSA-N 1 2 438.551 3.943 40 0 IHABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)n1 ZINC000019692994 569228382 /nfs/dbraw/zinc/22/83/82/569228382.db2.gz XBDVQBVLBTUWCZ-FQEVSTJZSA-N 1 2 438.551 3.943 40 0 IHABLO CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000019697381 569229944 /nfs/dbraw/zinc/22/99/44/569229944.db2.gz IOPWCEITPXGIGI-KRWDZBQOSA-N 1 2 437.494 3.949 40 0 IHABLO CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000019697381 569229945 /nfs/dbraw/zinc/22/99/45/569229945.db2.gz IOPWCEITPXGIGI-KRWDZBQOSA-N 1 2 437.494 3.949 40 0 IHABLO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000019697379 569229953 /nfs/dbraw/zinc/22/99/53/569229953.db2.gz PSRUQEXDDMZLDG-FQEVSTJZSA-N 1 2 433.531 3.806 40 0 IHABLO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000019697379 569229954 /nfs/dbraw/zinc/22/99/54/569229954.db2.gz PSRUQEXDDMZLDG-FQEVSTJZSA-N 1 2 433.531 3.806 40 0 IHABLO Cc1nc(N2CCCCC2)cc(CC2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)[nH+]1 ZINC000019758593 569237566 /nfs/dbraw/zinc/23/75/66/569237566.db2.gz UTOOGZYCSHXMBG-UHFFFAOYSA-N 1 2 436.556 3.641 40 0 IHABLO Cc1nc([C@@H]2CCCN(C(=O)CCCn3c4ccccc4[nH+]c3C(C)C)C2)ncc1C(N)=O ZINC000019763770 569238240 /nfs/dbraw/zinc/23/82/40/569238240.db2.gz PARPRBAIAKSGQH-GOSISDBHSA-N 1 2 448.571 3.543 40 0 IHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000261363098 569315625 /nfs/dbraw/zinc/31/56/25/569315625.db2.gz GAMYAKGVUXLUON-FQEVSTJZSA-O 1 2 441.533 3.724 40 0 IHABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2cccnc2)[nH+]1 ZINC000329009715 569583298 /nfs/dbraw/zinc/58/32/98/569583298.db2.gz LXNKFLSEQUREEJ-LJQANCHMSA-N 1 2 442.361 4.342 40 0 IHABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccnc2)[nH+]1 ZINC000328998018 569583309 /nfs/dbraw/zinc/58/33/09/569583309.db2.gz JRLNPOGNHOGQLB-LJQANCHMSA-N 1 2 442.361 4.342 40 0 IHABLO CC(C)[C@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccnc2)[nH+]1 ZINC000328998013 569583375 /nfs/dbraw/zinc/58/33/75/569583375.db2.gz JRLNPOGNHOGQLB-IBGZPJMESA-N 1 2 442.361 4.342 40 0 IHABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc3c(c2)OCO3)Oc2ccccc2N1Cc1ccccc1 ZINC000096111783 291376817 /nfs/dbraw/zinc/37/68/17/291376817.db2.gz ZTAMAHPBLHZASN-UNMCSNQZSA-N 1 2 428.488 3.984 40 0 biogenic,in-vitro IHABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc3c(c2)OCO3)Oc2ccccc2N1Cc1ccccc1 ZINC000096111783 291376818 /nfs/dbraw/zinc/37/68/18/291376818.db2.gz ZTAMAHPBLHZASN-UNMCSNQZSA-N 1 2 428.488 3.984 40 0 biogenic,in-vitro IHABLO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4cc5c(cc4Cl)OCO5)[C@H]3C2)cc1 ZINC000012328379 523673683 /nfs/dbraw/zinc/67/36/83/523673683.db2.gz SASBTZHTZQVMIC-UZLBHIALSA-N 1 2 428.916 3.814 40 0 IHABLO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+](Cc4cc5c(cc4Cl)OCO5)[C@H]3C2)cc1 ZINC000012328379 523673695 /nfs/dbraw/zinc/67/36/95/523673695.db2.gz SASBTZHTZQVMIC-UZLBHIALSA-N 1 2 428.916 3.814 40 0 IHABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000022509382 526649562 /nfs/dbraw/zinc/64/95/62/526649562.db2.gz MRZZYRLHJCAAIN-UHFFFAOYSA-N 1 2 432.505 3.603 40 0 IHABLO S=C(NCC[NH+]1CCOCC1)c1cc(Br)ccc1OCc1ccccc1 ZINC000408576012 555926697 /nfs/dbraw/zinc/92/66/97/555926697.db2.gz PHYRMXUXHZXVPS-UHFFFAOYSA-N 1 2 435.387 3.625 40 0 IHABLO Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1S(=O)(=O)Nc1ccccc1 ZINC000030754771 556504178 /nfs/dbraw/zinc/50/41/78/556504178.db2.gz AWOGAYYHBLROPX-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030939412 556515833 /nfs/dbraw/zinc/51/58/33/556515833.db2.gz CXHLADVLPFOSAJ-UHFFFAOYSA-N 1 2 438.553 3.748 40 0 IHABLO CC(C)(C)C(=O)N1CCc2cc(C(=O)C[NH+]3CCC(O)(c4ccccc4F)CC3)ccc21 ZINC000019081589 556696429 /nfs/dbraw/zinc/69/64/29/556696429.db2.gz CUTYRTYQNMLREQ-UHFFFAOYSA-N 1 2 438.543 3.927 40 0 IHABLO Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2F)C3)cc1 ZINC000019135290 556705764 /nfs/dbraw/zinc/70/57/64/556705764.db2.gz CXDSKJUDHOXGLP-QHCPKHFHSA-N 1 2 446.526 3.753 40 0 IHABLO Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2F)C3)cc1 ZINC000019135290 556705765 /nfs/dbraw/zinc/70/57/65/556705765.db2.gz CXDSKJUDHOXGLP-QHCPKHFHSA-N 1 2 446.526 3.753 40 0 IHABLO CC(C)(C)c1ccc(C(=O)[C@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000019365026 556746083 /nfs/dbraw/zinc/74/60/83/556746083.db2.gz LLWAEHIULOYSDC-RPBOFIJWSA-N 1 2 436.596 3.941 40 0 IHABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H](C)c5ccccc5)CC4)[nH]n3c(=O)c2C1 ZINC000019448119 556757212 /nfs/dbraw/zinc/75/72/12/556757212.db2.gz FTSODQDPMRQUOL-GOSISDBHSA-N 1 2 447.583 3.711 40 0 IHABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H](C)c5ccccc5)CC4)[nH]n3c(=O)c2C1 ZINC000019448119 556757214 /nfs/dbraw/zinc/75/72/14/556757214.db2.gz FTSODQDPMRQUOL-GOSISDBHSA-N 1 2 447.583 3.711 40 0 IHABLO COc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c(OC)c1OC ZINC000019453627 556764306 /nfs/dbraw/zinc/76/43/06/556764306.db2.gz SEUVOAKUXPJTNR-UHFFFAOYSA-N 1 2 426.561 3.784 40 0 IHABLO COc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c(OC)c1OC ZINC000019453627 556764307 /nfs/dbraw/zinc/76/43/07/556764307.db2.gz SEUVOAKUXPJTNR-UHFFFAOYSA-N 1 2 426.561 3.784 40 0 IHABLO CCCN1CC[N@H+](Cc2nccn2CC)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503074 556774329 /nfs/dbraw/zinc/77/43/29/556774329.db2.gz UCRIZNSXDABHEY-DEOSSOPVSA-N 1 2 431.584 3.878 40 0 IHABLO CCCN1CC[N@@H+](Cc2nccn2CC)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503074 556774334 /nfs/dbraw/zinc/77/43/34/556774334.db2.gz UCRIZNSXDABHEY-DEOSSOPVSA-N 1 2 431.584 3.878 40 0 IHABLO COc1cc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2C)cc(OC)c1 ZINC000001346316 556779679 /nfs/dbraw/zinc/77/96/79/556779679.db2.gz HHFWKNYWXLTYRJ-UHFFFAOYSA-N 1 2 435.509 3.872 40 0 IHABLO CCN1CC[C@]2(C[C@H](NC(=O)Cn3c(C)[nH+]c4ccccc43)c3ccccc3O2)CCC1=O ZINC000019527091 556785343 /nfs/dbraw/zinc/78/53/43/556785343.db2.gz XZRDJNAXXGIBED-LVXARBLLSA-N 1 2 446.551 3.756 40 0 IHABLO Cc1cccc2cc(C[N@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)c3nnnn3c12 ZINC000001367504 556791784 /nfs/dbraw/zinc/79/17/84/556791784.db2.gz RGFRZLHNMYIQPC-UHFFFAOYSA-N 1 2 433.564 3.662 40 0 IHABLO Cc1cccc2cc(C[N@@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)c3nnnn3c12 ZINC000001367504 556791787 /nfs/dbraw/zinc/79/17/87/556791787.db2.gz RGFRZLHNMYIQPC-UHFFFAOYSA-N 1 2 433.564 3.662 40 0 IHABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4cn(C)cn4)C3)c2)cc1 ZINC000019570340 556810448 /nfs/dbraw/zinc/81/04/48/556810448.db2.gz IRSYDHHRWUJQHB-SFHVURJKSA-N 1 2 433.512 3.894 40 0 IHABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006283282 556831633 /nfs/dbraw/zinc/83/16/33/556831633.db2.gz DPDOTMYRNQESOQ-AOMKIAJQSA-N 1 2 436.560 3.850 40 0 IHABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006283282 556831637 /nfs/dbraw/zinc/83/16/37/556831637.db2.gz DPDOTMYRNQESOQ-AOMKIAJQSA-N 1 2 436.560 3.850 40 0 IHABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)c(=O)[nH]c2c1C ZINC000006442551 556836008 /nfs/dbraw/zinc/83/60/08/556836008.db2.gz KIYZCIUUQOEADX-HSZRJFAPSA-N 1 2 446.530 3.894 40 0 IHABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008681746 556844559 /nfs/dbraw/zinc/84/45/59/556844559.db2.gz IMDBUTWSFLBRIY-NRFANRHFSA-N 1 2 440.592 3.962 40 0 IHABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008681746 556844563 /nfs/dbraw/zinc/84/45/63/556844563.db2.gz IMDBUTWSFLBRIY-NRFANRHFSA-N 1 2 440.592 3.962 40 0 IHABLO Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@@H+](Cc1cccc(F)c1)C2 ZINC000019701267 556861359 /nfs/dbraw/zinc/86/13/59/556861359.db2.gz MOJLOZZHPBMENW-QFIPXVFZSA-N 1 2 449.505 3.638 40 0 IHABLO Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@H+](Cc1cccc(F)c1)C2 ZINC000019701267 556861363 /nfs/dbraw/zinc/86/13/63/556861363.db2.gz MOJLOZZHPBMENW-QFIPXVFZSA-N 1 2 449.505 3.638 40 0 IHABLO Cc1nc(C2CC[NH+](CC(=O)Nc3ccccc3F)CC2)nc2c1CCCN2CC1CC1 ZINC000019706677 556864946 /nfs/dbraw/zinc/86/49/46/556864946.db2.gz FTGWSCDJMDGFGJ-UHFFFAOYSA-N 1 2 437.563 3.905 40 0 IHABLO O=C(C[NH+]1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1)Nc1nccs1 ZINC000019744083 556889689 /nfs/dbraw/zinc/88/96/89/556889689.db2.gz LBYQKXKRZSLBSP-HXUWFJFHSA-N 1 2 426.586 3.623 40 0 IHABLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353442 556926811 /nfs/dbraw/zinc/92/68/11/556926811.db2.gz ALVSISIYFHVTLF-QGZVFWFLSA-N 1 2 427.530 3.702 40 0 IHABLO CNc1nc([C@@H]2CCCC[N@@H+]2C)nc2c1CCN(C(=O)C(C)(C)c1cccc(F)c1)C2 ZINC000072376582 556955064 /nfs/dbraw/zinc/95/50/64/556955064.db2.gz XTOKNOVJULRCOV-FQEVSTJZSA-N 1 2 425.552 3.677 40 0 IHABLO CNc1nc([C@@H]2CCCC[N@H+]2C)nc2c1CCN(C(=O)C(C)(C)c1cccc(F)c1)C2 ZINC000072376582 556955066 /nfs/dbraw/zinc/95/50/66/556955066.db2.gz XTOKNOVJULRCOV-FQEVSTJZSA-N 1 2 425.552 3.677 40 0 IHABLO O=C(NCc1[nH+]c(C2CCN(C(=O)C3(F)CCC3)CC2)n2ccccc12)c1ccccc1 ZINC000585113262 557045122 /nfs/dbraw/zinc/04/51/22/557045122.db2.gz YCPFGYZFXWRVAG-UHFFFAOYSA-N 1 2 434.515 3.863 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000006198102 557149678 /nfs/dbraw/zinc/14/96/78/557149678.db2.gz KPQCOZBFKUIKQO-QHCPKHFHSA-N 1 2 428.540 3.701 40 0 IHABLO COc1ccc(S(=O)(=O)N2CCC3(CCn4c(-c5cccc(F)c5)c[nH+]c43)CC2)cc1 ZINC000096080117 557168603 /nfs/dbraw/zinc/16/86/03/557168603.db2.gz YVPLXUQYAMTOKS-UHFFFAOYSA-N 1 2 441.528 3.824 40 0 IHABLO CCC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057671366 557257246 /nfs/dbraw/zinc/25/72/46/557257246.db2.gz IKDPNPYJAJHAAP-NRFANRHFSA-N 1 2 448.571 3.730 40 0 IHABLO CCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057671361 557257261 /nfs/dbraw/zinc/25/72/61/557257261.db2.gz FBUYMLBHQUYIHJ-JOCHJYFZSA-N 1 2 448.571 3.730 40 0 IHABLO CCOCCCNc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000057743677 557258293 /nfs/dbraw/zinc/25/82/93/557258293.db2.gz FDHYJFKYWPNPEX-UHFFFAOYSA-N 1 2 433.556 3.944 40 0 IHABLO CCOCCCNc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000057743677 557258295 /nfs/dbraw/zinc/25/82/95/557258295.db2.gz FDHYJFKYWPNPEX-UHFFFAOYSA-N 1 2 433.556 3.944 40 0 IHABLO CC(C)(C)c1ccc(C[S@](=O)[C@@H]2CCCC[C@H]2OC(=O)CC[NH+]2CCOCC2)cc1 ZINC000248156593 557300900 /nfs/dbraw/zinc/30/09/00/557300900.db2.gz DSUICHSCVSACPM-WOGZVKCMSA-N 1 2 435.630 3.810 40 0 IHABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499676 557328641 /nfs/dbraw/zinc/32/86/41/557328641.db2.gz VVWPDQIOHCJTNA-FQEVSTJZSA-N 1 2 440.592 3.612 40 0 IHABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499676 557328642 /nfs/dbraw/zinc/32/86/42/557328642.db2.gz VVWPDQIOHCJTNA-FQEVSTJZSA-N 1 2 440.592 3.612 40 0 IHABLO CCOC(=O)c1sc(NC(=O)C[NH+]2CCCCC2)c(C(=O)Nc2ccccc2)c1C ZINC000014152836 557423584 /nfs/dbraw/zinc/42/35/84/557423584.db2.gz RVEPWYGTCLDOBN-UHFFFAOYSA-N 1 2 429.542 3.910 40 0 IHABLO COc1ccc(-c2ncc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(C)n2)cc1 ZINC000223146688 557438948 /nfs/dbraw/zinc/43/89/48/557438948.db2.gz GEFNKWVFKUIMDM-RMKNXTFCSA-N 1 2 428.536 3.932 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1CCC[NH+]1CCOCC1 ZINC000223178383 557441996 /nfs/dbraw/zinc/44/19/96/557441996.db2.gz VCGFUCVAIFGXML-XZOQPEGZSA-N 1 2 439.629 3.693 40 0 IHABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C(C)C ZINC000223179968 557442190 /nfs/dbraw/zinc/44/21/90/557442190.db2.gz JNJLZLDDQLLJLD-PKTZIBPZSA-N 1 2 441.645 3.776 40 0 IHABLO COc1ccc(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)c3ccco3)n2)cc1 ZINC000019823145 557507838 /nfs/dbraw/zinc/50/78/38/557507838.db2.gz WHTLGYSYQOXZMI-UHFFFAOYSA-N 1 2 427.526 3.781 40 0 IHABLO COc1cc(C[NH+]2CCN(C(=S)Nc3ccc(C)cc3C)CC2)cc(OC)c1OC ZINC000225222873 557701684 /nfs/dbraw/zinc/70/16/84/557701684.db2.gz LVDXUJVUSYWARD-UHFFFAOYSA-N 1 2 429.586 3.844 40 0 IHABLO COc1cc(C[NH+]2CCN(C(=S)Nc3cc(C)ccc3C)CC2)cc(OC)c1OC ZINC000225222931 557701768 /nfs/dbraw/zinc/70/17/68/557701768.db2.gz GULQBXIXSPJKFJ-UHFFFAOYSA-N 1 2 429.586 3.844 40 0 IHABLO O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000225244110 557704400 /nfs/dbraw/zinc/70/44/00/557704400.db2.gz HFPCNFXMQXMGLO-UHFFFAOYSA-N 1 2 426.567 3.915 40 0 IHABLO COc1cc(C(=O)N2CCC[C@](C)(c3cc(N)nc(C)[nH+]3)C2)ccc1OCc1ccccn1 ZINC000257215615 568672266 /nfs/dbraw/zinc/67/22/66/568672266.db2.gz CQWSRTBIZBHFKA-VWLOTQADSA-N 1 2 447.539 3.544 40 0 IHABLO Cc1nc2cc([C@@H]3CCC[N@@H+]3Cc3ccc(O)cc3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257217389 568673144 /nfs/dbraw/zinc/67/31/44/568673144.db2.gz CYSZRJJMWFGEPL-DEOSSOPVSA-N 1 2 447.583 3.944 40 0 IHABLO Cc1nc2cc([C@@H]3CCC[N@H+]3Cc3ccc(O)cc3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257217389 568673147 /nfs/dbraw/zinc/67/31/47/568673147.db2.gz CYSZRJJMWFGEPL-DEOSSOPVSA-N 1 2 447.583 3.944 40 0 IHABLO COc1ccc(C2(C(=O)N3CCOC[C@@H](Cc4ccc5[nH+]ccn5c4)C3)CCCC2)cc1 ZINC000257251685 568689347 /nfs/dbraw/zinc/68/93/47/568689347.db2.gz JRTGKUIRMYVICB-NRFANRHFSA-N 1 2 433.552 3.872 40 0 IHABLO CC(=O)Nc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)cc1 ZINC000257257343 568692169 /nfs/dbraw/zinc/69/21/69/568692169.db2.gz KPDFYSUNOGJLPJ-XMMPIXPASA-N 1 2 447.539 3.939 40 0 IHABLO CC(=O)Nc1ccc(OCC[N@H+]2CCO[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)cc1 ZINC000257257343 568692173 /nfs/dbraw/zinc/69/21/73/568692173.db2.gz KPDFYSUNOGJLPJ-XMMPIXPASA-N 1 2 447.539 3.939 40 0 IHABLO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2CC(=O)Nc2nc(C)c(C)s2)cc1 ZINC000257261572 568693826 /nfs/dbraw/zinc/69/38/26/568693826.db2.gz LHXQLIAVNYDXMG-YDHSSHFGSA-N 1 2 442.585 3.581 40 0 IHABLO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2CC(=O)Nc2nc(C)c(C)s2)cc1 ZINC000257261572 568693830 /nfs/dbraw/zinc/69/38/30/568693830.db2.gz LHXQLIAVNYDXMG-YDHSSHFGSA-N 1 2 442.585 3.581 40 0 IHABLO CNc1nc([C@@H]2CCN(C(=O)C3(Oc4ccccc4)CCCCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000257289177 568706634 /nfs/dbraw/zinc/70/66/34/568706634.db2.gz PXINOXYVFJPLQN-LJQANCHMSA-N 1 2 449.599 3.604 40 0 IHABLO CNc1nc([C@@H]2CCN(C(=O)C3(Oc4ccccc4)CCCCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257289177 568706636 /nfs/dbraw/zinc/70/66/36/568706636.db2.gz PXINOXYVFJPLQN-LJQANCHMSA-N 1 2 449.599 3.604 40 0 IHABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 ZINC000257293803 568708526 /nfs/dbraw/zinc/70/85/26/568708526.db2.gz QRFLVRWAKDJFAK-XMMPIXPASA-N 1 2 449.555 3.961 40 0 IHABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 ZINC000257293803 568708528 /nfs/dbraw/zinc/70/85/28/568708528.db2.gz QRFLVRWAKDJFAK-XMMPIXPASA-N 1 2 449.555 3.961 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@@H+]3Cc3ncccc3C)nn2c1C ZINC000257300411 568711379 /nfs/dbraw/zinc/71/13/79/568711379.db2.gz RUDVPJVIWXULPB-QHCPKHFHSA-N 1 2 434.588 3.845 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@H+]3Cc3ncccc3C)nn2c1C ZINC000257300411 568711381 /nfs/dbraw/zinc/71/13/81/568711381.db2.gz RUDVPJVIWXULPB-QHCPKHFHSA-N 1 2 434.588 3.845 40 0 IHABLO COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)C[N@H+](C)Cc3ccccn3)o2)c1 ZINC000257311481 568715988 /nfs/dbraw/zinc/71/59/88/568715988.db2.gz UJQXJGDXVHOOQE-HSZRJFAPSA-N 1 2 434.540 3.855 40 0 IHABLO COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)C[N@@H+](C)Cc3ccccn3)o2)c1 ZINC000257311481 568715989 /nfs/dbraw/zinc/71/59/89/568715989.db2.gz UJQXJGDXVHOOQE-HSZRJFAPSA-N 1 2 434.540 3.855 40 0 IHABLO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)n1 ZINC000257312630 568716529 /nfs/dbraw/zinc/71/65/29/568716529.db2.gz UOWJIOQOUWQGFZ-HSZRJFAPSA-N 1 2 432.572 3.598 40 0 IHABLO Cc1cccc(C[N@H+]2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)n1 ZINC000257312630 568716530 /nfs/dbraw/zinc/71/65/30/568716530.db2.gz UOWJIOQOUWQGFZ-HSZRJFAPSA-N 1 2 432.572 3.598 40 0 IHABLO Cc1[nH+]c2cc(C)ccn2c1CN1CCO[C@H](c2cc(CCOc3ccccc3)n(C)n2)C1 ZINC000257316299 568718254 /nfs/dbraw/zinc/71/82/54/568718254.db2.gz VEZDQQQOKFXLDU-VWLOTQADSA-N 1 2 445.567 3.880 40 0 IHABLO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCO[C@H](c2cc(CCOc3ccccc3)n(C)n2)C1 ZINC000257316299 568718257 /nfs/dbraw/zinc/71/82/57/568718257.db2.gz VEZDQQQOKFXLDU-VWLOTQADSA-N 1 2 445.567 3.880 40 0 IHABLO Cc1nc2cc(C)ccn2c1C[N@H+]1CCO[C@H](c2cc(CCOc3ccccc3)n(C)n2)C1 ZINC000257316299 568718261 /nfs/dbraw/zinc/71/82/61/568718261.db2.gz VEZDQQQOKFXLDU-VWLOTQADSA-N 1 2 445.567 3.880 40 0 IHABLO Cc1cccc(C[N@H+]2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)n1 ZINC000257321607 568720645 /nfs/dbraw/zinc/72/06/45/568720645.db2.gz WCIPWQVKHIXGJN-HSZRJFAPSA-N 1 2 434.588 3.844 40 0 IHABLO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)n1 ZINC000257321607 568720648 /nfs/dbraw/zinc/72/06/48/568720648.db2.gz WCIPWQVKHIXGJN-HSZRJFAPSA-N 1 2 434.588 3.844 40 0 IHABLO COc1cccc(C(=O)N2CCO[C@H](c3cc(Nc4nnc(C)s4)cc(C)[nH+]3)C2)c1 ZINC000257321788 568720714 /nfs/dbraw/zinc/72/07/14/568720714.db2.gz WDGAVQBZVJEEBU-IBGZPJMESA-N 1 2 425.514 3.516 40 0 IHABLO COc1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c2ccccc12 ZINC000261362386 568733253 /nfs/dbraw/zinc/73/32/53/568733253.db2.gz JCRYBKORLITHFN-HSZRJFAPSA-O 1 2 445.524 3.934 40 0 IHABLO Fc1ccccc1CN1CC[N@H+](CC2CC2)[C@@H](c2cn3c(cccc3N3CCOCC3)n2)C1 ZINC000306125329 568763765 /nfs/dbraw/zinc/76/37/65/568763765.db2.gz CMQXTYVLPAIPQA-XMMPIXPASA-N 1 2 449.574 3.579 40 0 IHABLO Fc1ccccc1CN1CC[N@@H+](CC2CC2)[C@@H](c2cn3c(cccc3N3CCOCC3)n2)C1 ZINC000306125329 568763766 /nfs/dbraw/zinc/76/37/66/568763766.db2.gz CMQXTYVLPAIPQA-XMMPIXPASA-N 1 2 449.574 3.579 40 0 IHABLO Cc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@H](C)CO)n1 ZINC000328981151 568808430 /nfs/dbraw/zinc/80/84/30/568808430.db2.gz GRFSGIGDNIFJBQ-OAHLLOKOSA-N 1 2 432.446 3.599 40 0 IHABLO C[C@H](CO)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329061259 568810824 /nfs/dbraw/zinc/81/08/24/568810824.db2.gz WPWNALWTZKPLQF-SECBINFHSA-N 1 2 431.256 3.515 40 0 IHABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000222471077 569182059 /nfs/dbraw/zinc/18/20/59/569182059.db2.gz MBKRWMDBOTTZSD-WZONZLPQSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000222471077 569182060 /nfs/dbraw/zinc/18/20/60/569182060.db2.gz MBKRWMDBOTTZSD-WZONZLPQSA-N 1 2 428.540 3.693 40 0 IHABLO O=C(C[NH+]1Cc2ccccc2C1)N1CCO[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 ZINC000019692343 569227905 /nfs/dbraw/zinc/22/79/05/569227905.db2.gz SCJHSYFZUBHIGS-RUZDIDTESA-N 1 2 431.511 3.727 40 0 IHABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000019702102 569231702 /nfs/dbraw/zinc/23/17/02/569231702.db2.gz JIQXXUNZFMRQCJ-AWEZNQCLSA-N 1 2 426.517 3.565 40 0 IHABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000019702102 569231703 /nfs/dbraw/zinc/23/17/03/569231703.db2.gz JIQXXUNZFMRQCJ-AWEZNQCLSA-N 1 2 426.517 3.565 40 0 IHABLO Cc1noc(C)c1COc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1 ZINC000019764491 569238370 /nfs/dbraw/zinc/23/83/70/569238370.db2.gz RRPQNGHIEZMLJE-QFIPXVFZSA-N 1 2 435.528 3.795 40 0 IHABLO Cc1noc(C)c1COc1ccc(C[N@H+]2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1 ZINC000019764491 569238372 /nfs/dbraw/zinc/23/83/72/569238372.db2.gz RRPQNGHIEZMLJE-QFIPXVFZSA-N 1 2 435.528 3.795 40 0 IHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1Br ZINC000261364249 569315833 /nfs/dbraw/zinc/31/58/33/569315833.db2.gz KEUZAKNJYVVVTJ-SFHVURJKSA-O 1 2 444.334 3.535 40 0 IHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(Br)c1 ZINC000261365402 569315977 /nfs/dbraw/zinc/31/59/77/569315977.db2.gz RZOBPAAXBZIWSQ-GOSISDBHSA-O 1 2 444.334 3.535 40 0 IHABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2cccnc2)[nH+]1 ZINC000329009714 569583473 /nfs/dbraw/zinc/58/34/73/569583473.db2.gz LXNKFLSEQUREEJ-IBGZPJMESA-N 1 2 442.361 4.342 40 0 IHABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035292038 520810832 /nfs/dbraw/zinc/81/08/32/520810832.db2.gz NABWEXVFVVDHOX-OALUTQOASA-N 1 2 438.498 3.534 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012712803 521283862 /nfs/dbraw/zinc/28/38/62/521283862.db2.gz URTITZWENUOLET-IERDGZPVSA-N 1 2 438.576 3.880 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012712803 521283868 /nfs/dbraw/zinc/28/38/68/521283868.db2.gz URTITZWENUOLET-IERDGZPVSA-N 1 2 438.576 3.880 40 0 IHABLO CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000022485797 522270384 /nfs/dbraw/zinc/27/03/84/522270384.db2.gz LLVHXOMAJVIRAN-QGZVFWFLSA-N 1 2 427.570 3.823 40 0 IHABLO CCn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236900 523331057 /nfs/dbraw/zinc/33/10/57/523331057.db2.gz UQIZWTLOZJZCOR-UHFFFAOYSA-N 1 2 443.469 3.998 40 0 IHABLO COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)[N@H+](C)C2)cc1 ZINC000020464169 524576875 /nfs/dbraw/zinc/57/68/75/524576875.db2.gz GRFDBFTWOLFCAX-WMZOPIPTSA-N 1 2 427.892 3.966 40 0 biogenic,in-vitro IHABLO COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)[N@@H+](C)C2)cc1 ZINC000020464169 524576880 /nfs/dbraw/zinc/57/68/80/524576880.db2.gz GRFDBFTWOLFCAX-WMZOPIPTSA-N 1 2 427.892 3.966 40 0 biogenic,in-vitro IHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012469403 525476257 /nfs/dbraw/zinc/47/62/57/525476257.db2.gz HRASPKUOFAMJDC-OPAMFIHVSA-N 1 2 436.560 3.850 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012469403 525476264 /nfs/dbraw/zinc/47/62/64/525476264.db2.gz HRASPKUOFAMJDC-OPAMFIHVSA-N 1 2 436.560 3.850 40 0 IHABLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000020485237 526184869 /nfs/dbraw/zinc/18/48/69/526184869.db2.gz HPDCMYVONKUYIX-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@H+](CC(=O)NC4CCCC4)C3)c(=O)c2c1C ZINC000012184146 526888499 /nfs/dbraw/zinc/88/84/99/526888499.db2.gz GFNHPCXODPWMHA-SFHVURJKSA-N 1 2 430.618 3.894 40 0 IHABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@@H+](CC(=O)NC4CCCC4)C3)c(=O)c2c1C ZINC000012184146 526888503 /nfs/dbraw/zinc/88/85/03/526888503.db2.gz GFNHPCXODPWMHA-SFHVURJKSA-N 1 2 430.618 3.894 40 0 IHABLO O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCN(C(=S)c2ccc(F)cc2)CC1 ZINC000034931024 527127569 /nfs/dbraw/zinc/12/75/69/527127569.db2.gz PPZDGFZUIBTOIF-UHFFFAOYSA-N 1 2 447.535 3.568 40 0 IHABLO COc1ccc(-c2cnn3c2ncc(C(=O)N2CC[NH+](Cc4ccccc4)CC2)c3C)cc1 ZINC000038829644 556621040 /nfs/dbraw/zinc/62/10/40/556621040.db2.gz YIEHWYQVZAZMFN-UHFFFAOYSA-N 1 2 441.535 3.671 40 0 IHABLO Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@@H]32)c1 ZINC000019235234 556719627 /nfs/dbraw/zinc/71/96/27/556719627.db2.gz JSUJTXIYTJRKHS-WXFUMESZSA-N 1 2 434.584 3.615 40 0 IHABLO O=C(Cn1cc[nH+]c1)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000019344210 556742127 /nfs/dbraw/zinc/74/21/27/556742127.db2.gz HKRHGVWDNSQMDG-ZDUSSCGKSA-N 1 2 446.458 3.689 40 0 IHABLO O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349402 556744595 /nfs/dbraw/zinc/74/45/95/556744595.db2.gz JVZMCBPPENKSAG-JOCHJYFZSA-N 1 2 438.547 3.711 40 0 IHABLO O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349402 556744596 /nfs/dbraw/zinc/74/45/96/556744596.db2.gz JVZMCBPPENKSAG-JOCHJYFZSA-N 1 2 438.547 3.711 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)cc2c1 ZINC000000907671 556744615 /nfs/dbraw/zinc/74/46/15/556744615.db2.gz AKITZGVZYRAHAY-QFIPXVFZSA-N 1 2 432.503 3.586 40 0 IHABLO CC(C)(C)c1ccc(C(=O)[C@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000019365029 556745967 /nfs/dbraw/zinc/74/59/67/556745967.db2.gz LLWAEHIULOYSDC-DQEYMECFSA-N 1 2 436.596 3.941 40 0 IHABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)[C@@H](C)c1n[nH]c(=O)c2ccccc21 ZINC000019451459 556762051 /nfs/dbraw/zinc/76/20/51/556762051.db2.gz RQOLZHUWCDDPHD-HTAPYJJXSA-N 1 2 436.531 3.535 40 0 IHABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)[C@@H](C)c1n[nH]c(=O)c2ccccc21 ZINC000019451459 556762053 /nfs/dbraw/zinc/76/20/53/556762053.db2.gz RQOLZHUWCDDPHD-HTAPYJJXSA-N 1 2 436.531 3.535 40 0 IHABLO CCC(CC)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019500093 556772046 /nfs/dbraw/zinc/77/20/46/556772046.db2.gz UVSSVJDNJSWFEQ-LJQANCHMSA-N 1 2 438.572 3.501 40 0 IHABLO CCC(CC)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019500093 556772049 /nfs/dbraw/zinc/77/20/49/556772049.db2.gz UVSSVJDNJSWFEQ-LJQANCHMSA-N 1 2 438.572 3.501 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC[C@@H]3C)cc2c1 ZINC000006283250 556831646 /nfs/dbraw/zinc/83/16/46/556831646.db2.gz CPEBGTAZKBMUOX-SBUREZEXSA-N 1 2 444.539 3.535 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC[C@@H]3C)cc2c1 ZINC000006283250 556831647 /nfs/dbraw/zinc/83/16/47/556831647.db2.gz CPEBGTAZKBMUOX-SBUREZEXSA-N 1 2 444.539 3.535 40 0 IHABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)cc2c1 ZINC000006300822 556832080 /nfs/dbraw/zinc/83/20/80/556832080.db2.gz CUOMHDUCJMTDGF-QFIPXVFZSA-N 1 2 432.503 3.504 40 0 IHABLO Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000006301745 556832514 /nfs/dbraw/zinc/83/25/14/556832514.db2.gz NLZOKZCBACRRGD-QHCPKHFHSA-N 1 2 428.540 3.755 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)c(=O)[nH]c12 ZINC000006444084 556836700 /nfs/dbraw/zinc/83/67/00/556836700.db2.gz OJKYXKGTUJJZKH-HSZRJFAPSA-N 1 2 446.530 3.832 40 0 IHABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 ZINC000019740665 556881068 /nfs/dbraw/zinc/88/10/68/556881068.db2.gz LDCYUWHKANYOHD-JOCHJYFZSA-N 1 2 448.546 3.783 40 0 IHABLO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 ZINC000019740665 556881071 /nfs/dbraw/zinc/88/10/71/556881071.db2.gz LDCYUWHKANYOHD-JOCHJYFZSA-N 1 2 448.546 3.783 40 0 IHABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1nc3ccccc3n1Cc1ccccc1)C2 ZINC000072336800 556909438 /nfs/dbraw/zinc/90/94/38/556909438.db2.gz UCYFMBIYSKFIFU-UHFFFAOYSA-N 1 2 448.530 3.788 40 0 IHABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1nc3ccccc3n1Cc1ccccc1)C2 ZINC000072336800 556909441 /nfs/dbraw/zinc/90/94/41/556909441.db2.gz UCYFMBIYSKFIFU-UHFFFAOYSA-N 1 2 448.530 3.788 40 0 IHABLO CNc1nc([C@H]2CCCC[N@@H+]2C)nc2c1CCN(C(=O)C(C)(C)c1cccc(F)c1)C2 ZINC000072376583 556955018 /nfs/dbraw/zinc/95/50/18/556955018.db2.gz XTOKNOVJULRCOV-HXUWFJFHSA-N 1 2 425.552 3.677 40 0 IHABLO CNc1nc([C@H]2CCCC[N@H+]2C)nc2c1CCN(C(=O)C(C)(C)c1cccc(F)c1)C2 ZINC000072376583 556955019 /nfs/dbraw/zinc/95/50/19/556955019.db2.gz XTOKNOVJULRCOV-HXUWFJFHSA-N 1 2 425.552 3.677 40 0 IHABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000020106252 556982699 /nfs/dbraw/zinc/98/26/99/556982699.db2.gz OFZOPXGETQSYAI-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccsc3)C[C@]23CCCN(CC2CC2)C3=O)c1 ZINC000585106651 557040553 /nfs/dbraw/zinc/04/05/53/557040553.db2.gz DOWYLJLLBBDEJC-WMZHIEFXSA-N 1 2 426.586 3.784 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000000890233 557116755 /nfs/dbraw/zinc/11/67/55/557116755.db2.gz IIIOSNOZMSVTDP-ZHRRBRCNSA-N 1 2 436.560 3.850 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000000890233 557116760 /nfs/dbraw/zinc/11/67/60/557116760.db2.gz IIIOSNOZMSVTDP-ZHRRBRCNSA-N 1 2 436.560 3.850 40 0 IHABLO CCCN(CCOC)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2Cc1cccc(OC)c1 ZINC000096143962 557171356 /nfs/dbraw/zinc/17/13/56/557171356.db2.gz CSBJNEYONGOKBK-AOYPEHQESA-N 1 2 438.568 3.580 40 0 IHABLO CCCN(CCOC)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2Cc1cccc(OC)c1 ZINC000096143962 557171359 /nfs/dbraw/zinc/17/13/59/557171359.db2.gz CSBJNEYONGOKBK-AOYPEHQESA-N 1 2 438.568 3.580 40 0 IHABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057670906 557257036 /nfs/dbraw/zinc/25/70/36/557257036.db2.gz CJNCXPPEFXCMAS-NRFANRHFSA-N 1 2 426.952 3.657 40 0 IHABLO COc1ccc(-c2noc(CNC(=O)C3CC[NH+](c4ccc(C)cc4)CC3)n2)c(OC)c1 ZINC000219866156 557270609 /nfs/dbraw/zinc/27/06/09/557270609.db2.gz MINYCBPRFFALJY-UHFFFAOYSA-N 1 2 436.512 3.595 40 0 IHABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495992 557325998 /nfs/dbraw/zinc/32/59/98/557325998.db2.gz GEHWBXNMYZGEIM-QFIPXVFZSA-N 1 2 438.576 3.664 40 0 IHABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495992 557326002 /nfs/dbraw/zinc/32/60/02/557326002.db2.gz GEHWBXNMYZGEIM-QFIPXVFZSA-N 1 2 438.576 3.664 40 0 IHABLO Cc1ccc2cc(C[N@@H+](CCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498568 557328104 /nfs/dbraw/zinc/32/81/04/557328104.db2.gz ZRYCJIWSIKSPME-QFIPXVFZSA-N 1 2 438.576 3.520 40 0 IHABLO Cc1ccc2cc(C[N@H+](CCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498568 557328109 /nfs/dbraw/zinc/32/81/09/557328109.db2.gz ZRYCJIWSIKSPME-QFIPXVFZSA-N 1 2 438.576 3.520 40 0 IHABLO COc1ccc(OC)c(C(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000013561725 557352254 /nfs/dbraw/zinc/35/22/54/557352254.db2.gz RONYEQZSQWJQJT-UHFFFAOYSA-N 1 2 448.445 3.987 40 0 IHABLO O=C(NCC[N@H+](Cc1ccccn1)Cc1c[nH]cc2c(Cl)nnc1-2)c1cccs1 ZINC000013991104 557400061 /nfs/dbraw/zinc/40/00/61/557400061.db2.gz AXUQKGIXUQXLBR-UHFFFAOYSA-N 1 2 426.933 3.500 40 0 IHABLO O=C(NCC[N@@H+](Cc1ccccn1)Cc1c[nH]cc2c(Cl)nnc1-2)c1cccs1 ZINC000013991104 557400064 /nfs/dbraw/zinc/40/00/64/557400064.db2.gz AXUQKGIXUQXLBR-UHFFFAOYSA-N 1 2 426.933 3.500 40 0 IHABLO O=C(CSCc1c(F)cccc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014153257 557423822 /nfs/dbraw/zinc/42/38/22/557423822.db2.gz JZUFYCIUDLVGQP-UHFFFAOYSA-N 1 2 436.936 3.785 40 0 IHABLO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000224421947 557604426 /nfs/dbraw/zinc/60/44/26/557604426.db2.gz AAAHXKPUSYKEBQ-HSZRJFAPSA-N 1 2 436.552 3.796 40 0 IHABLO COc1cc(C[NH+]2CCN(C(=S)Nc3ccccc3Cl)CC2)cc(OC)c1OC ZINC000225223114 557702005 /nfs/dbraw/zinc/70/20/05/557702005.db2.gz HXCIPNAMGIGCJK-UHFFFAOYSA-N 1 2 435.977 3.880 40 0 IHABLO CCOC(=O)c1cc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)ccc1Cl ZINC000225778608 557776869 /nfs/dbraw/zinc/77/68/69/557776869.db2.gz KWVLNWLRFVYOFK-UHFFFAOYSA-N 1 2 447.988 3.836 40 0 IHABLO O=C(CCCNc1ncnc2ccccc21)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000257213600 568671352 /nfs/dbraw/zinc/67/13/52/568671352.db2.gz CIGYGITUTFKTIA-NRFANRHFSA-N 1 2 427.512 3.766 40 0 IHABLO COc1ccc(-c2cccc([C@H]3CN(C(=O)Cc4c(C)[nH+]c5ccccn54)CCO3)n2)cc1 ZINC000257260218 568693189 /nfs/dbraw/zinc/69/31/89/568693189.db2.gz LBVTUJGLXDCPHM-XMMPIXPASA-N 1 2 442.519 3.856 40 0 IHABLO COCc1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)ccc1OC(C)C ZINC000257286521 568704998 /nfs/dbraw/zinc/70/49/98/568704998.db2.gz PLXAPDFGICSFJK-DEOSSOPVSA-N 1 2 449.555 3.628 40 0 IHABLO COCc1cc(C[N@H+]2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)ccc1OC(C)C ZINC000257286521 568704999 /nfs/dbraw/zinc/70/49/99/568704999.db2.gz PLXAPDFGICSFJK-DEOSSOPVSA-N 1 2 449.555 3.628 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000257323568 568721703 /nfs/dbraw/zinc/72/17/03/568721703.db2.gz WKXYZPDQRQZTPY-BKMJKUGQSA-N 1 2 446.526 3.739 40 0 IHABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3cccs3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306127645 568764693 /nfs/dbraw/zinc/76/46/93/568764693.db2.gz GEASPEKFKMEITK-NTKDMRAZSA-N 1 2 449.580 3.579 40 0 IHABLO O=C(Nc1ccccc1)c1cn2c(nc1=O)[C@H]1C[N@H+](Cc3cc(Cl)ccc3F)C[C@H]1C2 ZINC000306136565 568769449 /nfs/dbraw/zinc/76/94/49/568769449.db2.gz PXDIWFVVRMOONU-YJBOKZPZSA-N 1 2 438.890 3.517 40 0 IHABLO O=C(Nc1ccccc1)c1cn2c(nc1=O)[C@H]1C[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]1C2 ZINC000306136565 568769450 /nfs/dbraw/zinc/76/94/50/568769450.db2.gz PXDIWFVVRMOONU-YJBOKZPZSA-N 1 2 438.890 3.517 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000222469025 569182125 /nfs/dbraw/zinc/18/21/25/569182125.db2.gz HXMYIZGYVFKGPW-MWTRTKDXSA-N 1 2 446.530 3.832 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000222469025 569182126 /nfs/dbraw/zinc/18/21/26/569182126.db2.gz HXMYIZGYVFKGPW-MWTRTKDXSA-N 1 2 446.530 3.832 40 0 IHABLO Fc1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000022928511 569217517 /nfs/dbraw/zinc/21/75/17/569217517.db2.gz BCANXGCLMDMSQH-HSZRJFAPSA-N 1 2 435.551 3.620 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019692437 569228018 /nfs/dbraw/zinc/22/80/18/569228018.db2.gz ANLLYGRATNGKFV-XMMPIXPASA-N 1 2 426.524 3.726 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019692437 569228019 /nfs/dbraw/zinc/22/80/19/569228019.db2.gz ANLLYGRATNGKFV-XMMPIXPASA-N 1 2 426.524 3.726 40 0 IHABLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)n[nH]c1C ZINC000019764654 569238519 /nfs/dbraw/zinc/23/85/19/569238519.db2.gz ARHXMYZCAIWVEC-JOCHJYFZSA-N 1 2 448.571 3.550 40 0 IHABLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)n[nH]c1C ZINC000019764654 569238521 /nfs/dbraw/zinc/23/85/21/569238521.db2.gz ARHXMYZCAIWVEC-JOCHJYFZSA-N 1 2 448.571 3.550 40 0 IHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1c(F)cccc1Cl ZINC000261363538 569315727 /nfs/dbraw/zinc/31/57/27/569315727.db2.gz HKUQWPAGFQLURP-LJQANCHMSA-O 1 2 431.900 3.955 40 0 IHABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2I)cc(C2CC2)[nH+]1 ZINC000329042599 569583349 /nfs/dbraw/zinc/58/33/49/569583349.db2.gz SOTULTVEHUAKOS-MRXNPFEDSA-N 1 2 438.313 4.131 40 0 IHABLO Cc1cc(OCC[NH+]2CCOCC2)c(C)c2c1CC[C@@H]([C@H](C)C(=O)NC1CCCC1)C2 ZINC000020504643 291373551 /nfs/dbraw/zinc/37/35/51/291373551.db2.gz QNCGDYOQZQGSOH-PZJWPPBQSA-N 1 2 428.617 3.814 40 0 biogenic,in-vitro IHABLO CCOC(=O)[C@H]1CCC[N@@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)C1 ZINC000013563106 132350088 /nfs/dbraw/zinc/35/00/88/132350088.db2.gz OVROFUVAOWESRV-INIZCTEOSA-N 1 2 449.507 3.648 40 0 IHABLO CCOC(=O)[C@H]1CCC[N@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)C1 ZINC000013563106 132350090 /nfs/dbraw/zinc/35/00/90/132350090.db2.gz OVROFUVAOWESRV-INIZCTEOSA-N 1 2 449.507 3.648 40 0 IHABLO CC(C)(C)c1ccc(C[S@@](=O)[C@@H]2CCCC[C@@H]2OC(=O)CC[NH+]2CCOCC2)cc1 ZINC000020458818 519032491 /nfs/dbraw/zinc/03/24/91/519032491.db2.gz DSUICHSCVSACPM-ZQLNOWDWSA-N 1 2 435.630 3.810 40 0 IHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000012496700 520947127 /nfs/dbraw/zinc/94/71/27/520947127.db2.gz OIKYCLFXMWKDDE-UGCAPWQASA-N 1 2 438.499 3.686 40 0 IHABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035292044 521196666 /nfs/dbraw/zinc/19/66/66/521196666.db2.gz NABWEXVFVVDHOX-RTBURBONSA-N 1 2 438.498 3.534 40 0 IHABLO COc1ccc(-c2[nH+]c3n(c2NC(C)(C)C)CCN(Cc2cnn(C)c2C)C3)cc1OC ZINC000012116004 523234454 /nfs/dbraw/zinc/23/44/54/523234454.db2.gz CPOGKVZIBDSMQK-UHFFFAOYSA-N 1 2 438.576 3.835 40 0 IHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000012116376 523285578 /nfs/dbraw/zinc/28/55/78/523285578.db2.gz AUFDKARJTDXOSJ-UHFFFAOYSA-N 1 2 433.556 3.748 40 0 IHABLO CCc1ccc(OCc2nnc(SCC[NH+]3CCOCC3)n2Cc2ccccc2)cc1 ZINC000000916419 555583448 /nfs/dbraw/zinc/58/34/48/555583448.db2.gz IMJVTKADFYNRIQ-UHFFFAOYSA-N 1 2 438.597 3.892 40 0 IHABLO CCc1ccc2c(c1)cc(C[N@H+](Cc1nnnn1C1CCCC1)C1CCCC1)c1nnnn12 ZINC000001367538 555692707 /nfs/dbraw/zinc/69/27/07/555692707.db2.gz NDSBRSJIGYMRPZ-UHFFFAOYSA-N 1 2 445.575 3.886 40 0 IHABLO CCc1ccc2c(c1)cc(C[N@@H+](Cc1nnnn1C1CCCC1)C1CCCC1)c1nnnn12 ZINC000001367538 555692710 /nfs/dbraw/zinc/69/27/10/555692710.db2.gz NDSBRSJIGYMRPZ-UHFFFAOYSA-N 1 2 445.575 3.886 40 0 IHABLO Cc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1NC(=O)c1ccccc1 ZINC000408626293 555997112 /nfs/dbraw/zinc/99/71/12/555997112.db2.gz VVCUIMAERALIHL-UHFFFAOYSA-N 1 2 449.576 3.754 40 0 IHABLO O=C1CC[NH2+][C@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)N1 ZINC000408737059 556204745 /nfs/dbraw/zinc/20/47/45/556204745.db2.gz LLGMRQXCEHKUGU-KRWDZBQOSA-N 1 2 440.135 3.899 40 0 IHABLO CC(C)(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)Cn3cc[nH+]c3)cc2n1 ZINC000012087916 556400955 /nfs/dbraw/zinc/40/09/55/556400955.db2.gz GLRPCEJXDXHXIT-OAHLLOKOSA-N 1 2 434.466 3.996 40 0 IHABLO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c2)cc1 ZINC000030751682 556503142 /nfs/dbraw/zinc/50/31/42/556503142.db2.gz VHYAONLMTPAXTB-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000015345347 556522127 /nfs/dbraw/zinc/52/21/27/556522127.db2.gz AUDUQEAAAXMCKI-UHFFFAOYSA-N 1 2 449.576 3.754 40 0 IHABLO COc1ccc(CSC2=[NH+][C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)cc1 ZINC000032508586 556540070 /nfs/dbraw/zinc/54/00/70/556540070.db2.gz SQNYYHOQUWRLJC-OALUTQOASA-N 1 2 436.986 3.619 40 0 IHABLO CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000016323237 556600607 /nfs/dbraw/zinc/60/06/07/556600607.db2.gz RDCQZFNJFVSQQM-UHFFFAOYSA-N 1 2 441.597 3.708 40 0 IHABLO C[C@@]1(O)CC[N@H+](Cc2ccncc2F)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289859 556624385 /nfs/dbraw/zinc/62/43/85/556624385.db2.gz PJTJMVPMZNKFIW-QNWVGRARSA-N 1 2 443.519 3.918 40 0 biogenic,in-vitro IHABLO C[C@@]1(O)CC[N@@H+](Cc2ccncc2F)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289859 556624389 /nfs/dbraw/zinc/62/43/89/556624389.db2.gz PJTJMVPMZNKFIW-QNWVGRARSA-N 1 2 443.519 3.918 40 0 biogenic,in-vitro IHABLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C1)CCC2 ZINC000257212167 556702628 /nfs/dbraw/zinc/70/26/28/556702628.db2.gz CCEYPHAKOHRPSC-SANMLTNESA-N 1 2 443.547 3.918 40 0 IHABLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C1)CCC2 ZINC000257212167 556702629 /nfs/dbraw/zinc/70/26/29/556702629.db2.gz CCEYPHAKOHRPSC-SANMLTNESA-N 1 2 443.547 3.918 40 0 IHABLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C1)CCC2 ZINC000257217951 556703378 /nfs/dbraw/zinc/70/33/78/556703378.db2.gz DBGOHRSBXUWUFV-AREMUKBSSA-N 1 2 443.547 3.918 40 0 IHABLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C1)CCC2 ZINC000257217951 556703379 /nfs/dbraw/zinc/70/33/79/556703379.db2.gz DBGOHRSBXUWUFV-AREMUKBSSA-N 1 2 443.547 3.918 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 ZINC000257247693 556711407 /nfs/dbraw/zinc/71/14/07/556711407.db2.gz JABITYBXDLOIEC-QFIPXVFZSA-N 1 2 426.520 3.811 40 0 IHABLO O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCC[N@@H+]3Cc3ccsc3)[nH]c(=O)c2C1 ZINC000019332109 556737158 /nfs/dbraw/zinc/73/71/58/556737158.db2.gz NMSWXIDZKDWMID-HXUWFJFHSA-N 1 2 438.528 3.506 40 0 IHABLO O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCC[N@H+]3Cc3ccsc3)[nH]c(=O)c2C1 ZINC000019332109 556737160 /nfs/dbraw/zinc/73/71/60/556737160.db2.gz NMSWXIDZKDWMID-HXUWFJFHSA-N 1 2 438.528 3.506 40 0 IHABLO O=C(C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000019345991 556742570 /nfs/dbraw/zinc/74/25/70/556742570.db2.gz PIZZQIWQGTVXML-FOGJEEJESA-N 1 2 443.975 3.970 40 0 IHABLO O=C(C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000019345991 556742572 /nfs/dbraw/zinc/74/25/72/556742572.db2.gz PIZZQIWQGTVXML-FOGJEEJESA-N 1 2 443.975 3.970 40 0 IHABLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2c(nc(C(C)C)nc2N2CCCC2)C1 ZINC000019453609 556764386 /nfs/dbraw/zinc/76/43/86/556764386.db2.gz OXBXTVGYOLDMKM-UHFFFAOYSA-N 1 2 426.561 3.784 40 0 IHABLO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2c(nc(C(C)C)nc2N2CCCC2)C1 ZINC000019453609 556764392 /nfs/dbraw/zinc/76/43/92/556764392.db2.gz OXBXTVGYOLDMKM-UHFFFAOYSA-N 1 2 426.561 3.784 40 0 IHABLO C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019462902 556767803 /nfs/dbraw/zinc/76/78/03/556767803.db2.gz HKGCNPDTZSDSCW-WSTZPKSXSA-N 1 2 449.599 3.511 40 0 IHABLO C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019462902 556767807 /nfs/dbraw/zinc/76/78/07/556767807.db2.gz HKGCNPDTZSDSCW-WSTZPKSXSA-N 1 2 449.599 3.511 40 0 IHABLO C[C@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019462904 556767842 /nfs/dbraw/zinc/76/78/42/556767842.db2.gz HKGCNPDTZSDSCW-CMKODMSKSA-N 1 2 449.599 3.511 40 0 IHABLO C[C@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019462904 556767845 /nfs/dbraw/zinc/76/78/45/556767845.db2.gz HKGCNPDTZSDSCW-CMKODMSKSA-N 1 2 449.599 3.511 40 0 IHABLO CCC(CC)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019500094 556772065 /nfs/dbraw/zinc/77/20/65/556772065.db2.gz UVSSVJDNJSWFEQ-IBGZPJMESA-N 1 2 438.572 3.501 40 0 IHABLO CCC(CC)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019500094 556772068 /nfs/dbraw/zinc/77/20/68/556772068.db2.gz UVSSVJDNJSWFEQ-IBGZPJMESA-N 1 2 438.572 3.501 40 0 IHABLO CCCN1CC[N@H+](Cc2nccn2CC)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502853 556774000 /nfs/dbraw/zinc/77/40/00/556774000.db2.gz HJJDJLOMTPYWJU-DEOSSOPVSA-N 1 2 431.584 3.878 40 0 IHABLO CCCN1CC[N@@H+](Cc2nccn2CC)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502853 556774004 /nfs/dbraw/zinc/77/40/04/556774004.db2.gz HJJDJLOMTPYWJU-DEOSSOPVSA-N 1 2 431.584 3.878 40 0 IHABLO CCc1cc(C(F)(F)F)nc([C@@H]2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)n1 ZINC000019522564 556779969 /nfs/dbraw/zinc/77/99/69/556779969.db2.gz OLPZSGDZPIMRFV-QGZVFWFLSA-N 1 2 429.446 3.932 40 0 IHABLO CCN1CC[C@@]2(C[C@H](NC(=O)Cn3c(C)[nH+]c4ccccc43)c3ccccc3O2)CCC1=O ZINC000019527092 556785365 /nfs/dbraw/zinc/78/53/65/556785365.db2.gz XZRDJNAXXGIBED-HFZDXXHNSA-N 1 2 446.551 3.756 40 0 IHABLO Cc1ccc2cc(C[N@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000001372963 556785682 /nfs/dbraw/zinc/78/56/82/556785682.db2.gz SQCGTLIFWUTBBK-UHFFFAOYSA-N 1 2 446.530 3.955 40 0 IHABLO Cc1ccc2cc(C[N@@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000001372963 556785685 /nfs/dbraw/zinc/78/56/85/556785685.db2.gz SQCGTLIFWUTBBK-UHFFFAOYSA-N 1 2 446.530 3.955 40 0 IHABLO Fc1ccc(-c2nsc3c2ncnc3N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000001379883 556795862 /nfs/dbraw/zinc/79/58/62/556795862.db2.gz NWQICMWEOQDCHD-UHFFFAOYSA-N 1 2 449.511 3.943 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000001382250 556797135 /nfs/dbraw/zinc/79/71/35/556797135.db2.gz AQPZZFCWOIWNHL-DEOSSOPVSA-N 1 2 442.567 3.895 40 0 IHABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@@H+]2CC(=O)Nc2nccs2)n1 ZINC000019694437 556850392 /nfs/dbraw/zinc/85/03/92/556850392.db2.gz OKNDOLNQCXVYJT-SFHVURJKSA-N 1 2 440.548 3.971 40 0 IHABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@H+]2CC(=O)Nc2nccs2)n1 ZINC000019694437 556850394 /nfs/dbraw/zinc/85/03/94/556850394.db2.gz OKNDOLNQCXVYJT-SFHVURJKSA-N 1 2 440.548 3.971 40 0 IHABLO Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CC[NH+](Cc5ncc[nH]5)CC4)nc32)cc1 ZINC000019739265 556877248 /nfs/dbraw/zinc/87/72/48/556877248.db2.gz GTJQBUXCISSRME-UHFFFAOYSA-N 1 2 430.556 3.676 40 0 IHABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 ZINC000019740645 556881272 /nfs/dbraw/zinc/88/12/72/556881272.db2.gz IYJFCLCKXNEDNJ-QFIPXVFZSA-N 1 2 448.546 3.783 40 0 IHABLO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 ZINC000019740645 556881276 /nfs/dbraw/zinc/88/12/76/556881276.db2.gz IYJFCLCKXNEDNJ-QFIPXVFZSA-N 1 2 448.546 3.783 40 0 IHABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(C)cc1)C(=O)CC2 ZINC000019740654 556881284 /nfs/dbraw/zinc/88/12/84/556881284.db2.gz MHEQFEGATDYZIR-QHCPKHFHSA-N 1 2 444.583 3.952 40 0 IHABLO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(C)cc1)C(=O)CC2 ZINC000019740654 556881288 /nfs/dbraw/zinc/88/12/88/556881288.db2.gz MHEQFEGATDYZIR-QHCPKHFHSA-N 1 2 444.583 3.952 40 0 IHABLO CCCN1CC[N@H+](Cc2cccnc2N(C)C)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072351756 556921994 /nfs/dbraw/zinc/92/19/94/556921994.db2.gz GCLLBMNKZDJVIX-VWLOTQADSA-N 1 2 443.595 3.875 40 0 IHABLO CCCN1CC[N@@H+](Cc2cccnc2N(C)C)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072351756 556921997 /nfs/dbraw/zinc/92/19/97/556921997.db2.gz GCLLBMNKZDJVIX-VWLOTQADSA-N 1 2 443.595 3.875 40 0 IHABLO CCCN1CC[N@H+](Cc2cccnc2N(C)C)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072351755 556922037 /nfs/dbraw/zinc/92/20/37/556922037.db2.gz GCLLBMNKZDJVIX-RUZDIDTESA-N 1 2 443.595 3.875 40 0 IHABLO CCCN1CC[N@@H+](Cc2cccnc2N(C)C)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072351755 556922040 /nfs/dbraw/zinc/92/20/40/556922040.db2.gz GCLLBMNKZDJVIX-RUZDIDTESA-N 1 2 443.595 3.875 40 0 IHABLO COc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2Cc2ccc(-c3ccncc3)cc2)cc1OC ZINC000072351833 556922555 /nfs/dbraw/zinc/92/25/55/556922555.db2.gz NSSIVJLCPAULJI-HSZRJFAPSA-N 1 2 431.536 3.651 40 0 IHABLO COc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2Cc2ccc(-c3ccncc3)cc2)cc1OC ZINC000072351833 556922559 /nfs/dbraw/zinc/92/25/59/556922559.db2.gz NSSIVJLCPAULJI-HSZRJFAPSA-N 1 2 431.536 3.651 40 0 IHABLO Cc1nc([C@@H]2CCC[N@H+]2CC(=O)N2CCC(C)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000072372888 556944563 /nfs/dbraw/zinc/94/45/63/556944563.db2.gz BQAHRZFVMPQERB-QHCPKHFHSA-N 1 2 448.615 3.528 40 0 IHABLO Cc1nc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC(C)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000072372888 556944569 /nfs/dbraw/zinc/94/45/69/556944569.db2.gz BQAHRZFVMPQERB-QHCPKHFHSA-N 1 2 448.615 3.528 40 0 IHABLO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)Cc2cccc(C)c2)n1 ZINC000072391871 556962502 /nfs/dbraw/zinc/96/25/02/556962502.db2.gz ZVHDWIVPFVYVPX-QFIPXVFZSA-N 1 2 429.568 3.975 40 0 IHABLO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)Cc2cccc(C)c2)n1 ZINC000072391871 556962505 /nfs/dbraw/zinc/96/25/05/556962505.db2.gz ZVHDWIVPFVYVPX-QFIPXVFZSA-N 1 2 429.568 3.975 40 0 IHABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000020104653 556981551 /nfs/dbraw/zinc/98/15/51/556981551.db2.gz PJGMZCPFLIMDKS-UHFFFAOYSA-N 1 2 432.505 3.603 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006148966 557146297 /nfs/dbraw/zinc/14/62/97/557146297.db2.gz FDNNBOIJYNZQKB-JOCHJYFZSA-N 1 2 436.560 3.850 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006198356 557149759 /nfs/dbraw/zinc/14/97/59/557149759.db2.gz PHPDLRVLUJHSHL-XMMPIXPASA-N 1 2 442.567 3.947 40 0 IHABLO COc1cccc(C[N@@H+]2Cc3ccccc3[C@@]23CO[C@H](C(=O)N(C)Cc2ccccn2)C3)c1 ZINC000096143955 557171399 /nfs/dbraw/zinc/17/13/99/557171399.db2.gz YRLILHNLLBKCDK-AHKZPQOWSA-N 1 2 443.547 3.749 40 0 IHABLO COc1cccc(C[N@H+]2Cc3ccccc3[C@@]23CO[C@H](C(=O)N(C)Cc2ccccn2)C3)c1 ZINC000096143955 557171403 /nfs/dbraw/zinc/17/14/03/557171403.db2.gz YRLILHNLLBKCDK-AHKZPQOWSA-N 1 2 443.547 3.749 40 0 IHABLO CCc1c(C)nc2cc(C3CCN(C(=O)c4coc(C[NH+](CC)CC)c4)CC3)[nH]n2c1=O ZINC000100137557 557242277 /nfs/dbraw/zinc/24/22/77/557242277.db2.gz SVAYYHGLUHYRNW-UHFFFAOYSA-N 1 2 439.560 3.760 40 0 IHABLO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Nc4ccccc4F)CC3)C2=O)cc1 ZINC000100209938 557247767 /nfs/dbraw/zinc/24/77/67/557247767.db2.gz JLEPRZJPXTYNQG-QFIPXVFZSA-N 1 2 425.504 3.823 40 0 IHABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](Cc5cccs5)CC4)[nH]n3c(=O)c2C1 ZINC000100243051 557254933 /nfs/dbraw/zinc/25/49/33/557254933.db2.gz FWVZWXYIUFCPTH-UHFFFAOYSA-N 1 2 439.585 3.561 40 0 IHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640838 557255994 /nfs/dbraw/zinc/25/59/94/557255994.db2.gz GFRSTINASZPFAQ-HSZRJFAPSA-N 1 2 446.555 3.623 40 0 IHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640838 557255999 /nfs/dbraw/zinc/25/59/99/557255999.db2.gz GFRSTINASZPFAQ-HSZRJFAPSA-N 1 2 446.555 3.623 40 0 IHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064687 557279239 /nfs/dbraw/zinc/27/92/39/557279239.db2.gz UHYTWNATQRIWMK-NRFANRHFSA-N 1 2 440.592 3.612 40 0 IHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064687 557279241 /nfs/dbraw/zinc/27/92/41/557279241.db2.gz UHYTWNATQRIWMK-NRFANRHFSA-N 1 2 440.592 3.612 40 0 IHABLO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(NC(=O)c3ccc(Br)cc3)CC2)c1 ZINC000013562886 557353081 /nfs/dbraw/zinc/35/30/81/557353081.db2.gz RFGXSNDKGYKEQP-UHFFFAOYSA-N 1 2 444.373 3.899 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000019220764 557497894 /nfs/dbraw/zinc/49/78/94/557497894.db2.gz UZTPYCDVGUESIK-JOCHJYFZSA-N 1 2 428.540 3.726 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000019220764 557497895 /nfs/dbraw/zinc/49/78/95/557497895.db2.gz UZTPYCDVGUESIK-JOCHJYFZSA-N 1 2 428.540 3.726 40 0 IHABLO Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019221887 557498146 /nfs/dbraw/zinc/49/81/46/557498146.db2.gz KVGWKMTYQURVEH-JOCHJYFZSA-N 1 2 428.540 3.726 40 0 IHABLO Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019221887 557498149 /nfs/dbraw/zinc/49/81/49/557498149.db2.gz KVGWKMTYQURVEH-JOCHJYFZSA-N 1 2 428.540 3.726 40 0 IHABLO CCc1ccccc1NC(=S)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000225224717 557702153 /nfs/dbraw/zinc/70/21/53/557702153.db2.gz DMLFLHLPMKCTAD-UHFFFAOYSA-N 1 2 429.586 3.789 40 0 IHABLO COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)C[N@H+](C)Cc4ccccn4)C3)o2)c1 ZINC000257200917 568665497 /nfs/dbraw/zinc/66/54/97/568665497.db2.gz AFILEJHEACQJAO-HXUWFJFHSA-N 1 2 434.540 3.507 40 0 IHABLO COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)C[N@@H+](C)Cc4ccccn4)C3)o2)c1 ZINC000257200917 568665498 /nfs/dbraw/zinc/66/54/98/568665498.db2.gz AFILEJHEACQJAO-HXUWFJFHSA-N 1 2 434.540 3.507 40 0 IHABLO COc1cc2c(cc1CN1CCO[C@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C1)OCCO2 ZINC000257201825 568666200 /nfs/dbraw/zinc/66/62/00/568666200.db2.gz AJEBVFLJYXHXMM-DEOSSOPVSA-N 1 2 448.523 3.882 40 0 IHABLO Cc1nc2cc([C@H]3CC[N@@H+](C4CCCCC4)C3)[nH]n2c(=O)c1CCC(=O)NC1CCCC1 ZINC000257210882 568670059 /nfs/dbraw/zinc/67/00/59/568670059.db2.gz BWNUTRJMNWAFLI-SFHVURJKSA-N 1 2 439.604 3.857 40 0 IHABLO Cc1nc2cc([C@H]3CC[N@H+](C4CCCCC4)C3)[nH]n2c(=O)c1CCC(=O)NC1CCCC1 ZINC000257210882 568670061 /nfs/dbraw/zinc/67/00/61/568670061.db2.gz BWNUTRJMNWAFLI-SFHVURJKSA-N 1 2 439.604 3.857 40 0 IHABLO Cc1cc(Nc2[nH+]cccc2C)cc([C@@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)n1 ZINC000257227196 568677551 /nfs/dbraw/zinc/67/75/51/568677551.db2.gz FOBGYTOJLZOBKA-QFIPXVFZSA-N 1 2 435.503 3.988 40 0 IHABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3ccc(Cl)c(N4CCOCC4)c3)C2)cc[nH+]1 ZINC000257252051 568689702 /nfs/dbraw/zinc/68/97/02/568689702.db2.gz JTJFOKSNUUPPGS-IBGZPJMESA-N 1 2 428.964 3.657 40 0 IHABLO Nc1ccc(-c2cccc([C@@H]3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)n2)c[nH+]1 ZINC000257282365 568703333 /nfs/dbraw/zinc/70/33/33/568703333.db2.gz OTLXAJWZWOHCTP-QHCPKHFHSA-N 1 2 427.508 3.740 40 0 IHABLO Nc1ccc(-c2cccc([C@H]3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)n2)c[nH+]1 ZINC000257282364 568703431 /nfs/dbraw/zinc/70/34/31/568703431.db2.gz OTLXAJWZWOHCTP-HSZRJFAPSA-N 1 2 427.508 3.740 40 0 IHABLO COc1cc2c(cc1CNc1cc(-c3c[nH]nc3[C@@H]3CCN(C(C)=O)C3)cc[nH+]1)CCC2 ZINC000257319073 568719676 /nfs/dbraw/zinc/71/96/76/568719676.db2.gz VQOOYZBMUGFICK-HXUWFJFHSA-N 1 2 431.540 3.917 40 0 IHABLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(F)cc4)n(C)n3)C2)c1C ZINC000257340052 568728733 /nfs/dbraw/zinc/72/87/33/568728733.db2.gz ZEGXBYXCYGGXRW-XMMPIXPASA-N 1 2 441.551 3.587 40 0 IHABLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(F)cc4)n(C)n3)C2)c1C ZINC000257340052 568728736 /nfs/dbraw/zinc/72/87/36/568728736.db2.gz ZEGXBYXCYGGXRW-XMMPIXPASA-N 1 2 441.551 3.587 40 0 IHABLO Cc1ncsc1CN1Cc2c([nH+]c(C)n2CC2CC2)C2(CCN(c3ncccn3)CC2)C1 ZINC000306125753 568764009 /nfs/dbraw/zinc/76/40/09/568764009.db2.gz DBHHZRVAUDVSKV-UHFFFAOYSA-N 1 2 449.628 3.710 40 0 IHABLO O=C(NC1CCCC1)C1=NO[C@@]2(C1)C[N@H+](Cc1ccccc1)CC[C@H]2NCc1ccccc1 ZINC000306136384 568769482 /nfs/dbraw/zinc/76/94/82/568769482.db2.gz PSBPBXABMBDRSF-VPUSJEBWSA-N 1 2 446.595 3.625 40 0 IHABLO O=C(NC1CCCC1)C1=NO[C@@]2(C1)C[N@@H+](Cc1ccccc1)CC[C@H]2NCc1ccccc1 ZINC000306136384 568769483 /nfs/dbraw/zinc/76/94/83/568769483.db2.gz PSBPBXABMBDRSF-VPUSJEBWSA-N 1 2 446.595 3.625 40 0 IHABLO O=C(NC1CCCC1)C1=NO[C@]2(C1)C[N@H+](Cc1ccccc1)CC[C@H]2NCc1ccccc1 ZINC000306136385 568769524 /nfs/dbraw/zinc/76/95/24/568769524.db2.gz PSBPBXABMBDRSF-XNMGPUDCSA-N 1 2 446.595 3.625 40 0 IHABLO O=C(NC1CCCC1)C1=NO[C@]2(C1)C[N@@H+](Cc1ccccc1)CC[C@H]2NCc1ccccc1 ZINC000306136385 568769526 /nfs/dbraw/zinc/76/95/26/568769526.db2.gz PSBPBXABMBDRSF-XNMGPUDCSA-N 1 2 446.595 3.625 40 0 IHABLO COc1ccc(C[N@@H+]2Cc3sc(C(C)C)nc3C3(CCN(S(C)(=O)=O)CC3)C2)cc1 ZINC000306142961 568772948 /nfs/dbraw/zinc/77/29/48/568772948.db2.gz XPFSYFXJIHDHLK-UHFFFAOYSA-N 1 2 449.642 3.584 40 0 IHABLO COc1ccc(C[N@H+]2Cc3sc(C(C)C)nc3C3(CCN(S(C)(=O)=O)CC3)C2)cc1 ZINC000306142961 568772951 /nfs/dbraw/zinc/77/29/51/568772951.db2.gz XPFSYFXJIHDHLK-UHFFFAOYSA-N 1 2 449.642 3.584 40 0 IHABLO Cc1nc(CN2CC[C@]3(CN(C(=O)CC(C)C)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306143910 568773420 /nfs/dbraw/zinc/77/34/20/568773420.db2.gz YQPAWPGVGKSCJE-AUSIDOKSSA-N 1 2 443.617 3.620 40 0 IHABLO Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329007674 568809099 /nfs/dbraw/zinc/80/90/99/568809099.db2.gz LMOLWRDAZXGXFB-HNNXBMFYSA-N 1 2 427.346 3.903 40 0 IHABLO C[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329068988 568811048 /nfs/dbraw/zinc/81/10/48/568811048.db2.gz YTQXFYDAIWYWTD-SECBINFHSA-N 1 2 431.256 3.515 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000229838983 569184943 /nfs/dbraw/zinc/18/49/43/569184943.db2.gz KMMHPQZWBZFJDY-UZUQRXQVSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000229838983 569184944 /nfs/dbraw/zinc/18/49/44/569184944.db2.gz KMMHPQZWBZFJDY-UZUQRXQVSA-N 1 2 428.540 3.693 40 0 IHABLO C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000253590920 569208884 /nfs/dbraw/zinc/20/88/84/569208884.db2.gz HKGCNPDTZSDSCW-QWFCFKBJSA-N 1 2 449.599 3.511 40 0 IHABLO C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000253590920 569208885 /nfs/dbraw/zinc/20/88/85/569208885.db2.gz HKGCNPDTZSDSCW-QWFCFKBJSA-N 1 2 449.599 3.511 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019692438 569228056 /nfs/dbraw/zinc/22/80/56/569228056.db2.gz ANLLYGRATNGKFV-DEOSSOPVSA-N 1 2 426.524 3.726 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019692438 569228057 /nfs/dbraw/zinc/22/80/57/569228057.db2.gz ANLLYGRATNGKFV-DEOSSOPVSA-N 1 2 426.524 3.726 40 0 IHABLO CC(C)COc1ccccc1C[N@@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692947 569228388 /nfs/dbraw/zinc/22/83/88/569228388.db2.gz MHEWCFQSVWIBSI-QHCPKHFHSA-N 1 2 448.571 3.608 40 0 IHABLO CC(C)COc1ccccc1C[N@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692947 569228389 /nfs/dbraw/zinc/22/83/89/569228389.db2.gz MHEWCFQSVWIBSI-QHCPKHFHSA-N 1 2 448.571 3.608 40 0 IHABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(OC(C)C)c(Cn3cccn3)c2)ncc1C(N)=O ZINC000019764579 569238563 /nfs/dbraw/zinc/23/85/63/569238563.db2.gz ZMUIJVPRQIGUHI-JOCHJYFZSA-N 1 2 448.571 3.643 40 0 IHABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(OC(C)C)c(Cn3cccn3)c2)ncc1C(N)=O ZINC000019764579 569238564 /nfs/dbraw/zinc/23/85/64/569238564.db2.gz ZMUIJVPRQIGUHI-JOCHJYFZSA-N 1 2 448.571 3.643 40 0 IHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(O)ccc1Br ZINC000261362464 569315569 /nfs/dbraw/zinc/31/55/69/569315569.db2.gz DDMNMHNFFWSAAV-MRXNPFEDSA-O 1 2 432.323 3.689 40 0 IHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2C=Cc1ccc(OC)cc1 ZINC000261364173 569315836 /nfs/dbraw/zinc/31/58/36/569315836.db2.gz JSZXMZZMQPXHGN-IXDOJHRFSA-O 1 2 435.529 3.836 40 0 IHABLO CC(C)[C@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)[nH+]1 ZINC000328964605 569583458 /nfs/dbraw/zinc/58/34/58/569583458.db2.gz BXCXXXMQDVMGNL-IBGZPJMESA-N 1 2 442.361 4.342 40 0 IHABLO CCOc1ncc(C2(O)CC[NH+](Cc3cc(Br)cs3)CC2)c(OCC)n1 ZINC000012186406 521609561 /nfs/dbraw/zinc/60/95/61/521609561.db2.gz NICTWUPAQCBBLL-UHFFFAOYSA-N 1 2 442.379 3.582 40 0 IHABLO CN(C)c1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)Cc2cccc(F)c2)n1 ZINC000072352061 522120954 /nfs/dbraw/zinc/12/09/54/522120954.db2.gz HVRMLFJQYNCLMH-NRFANRHFSA-N 1 2 447.558 3.830 40 0 IHABLO CN(C)c1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)Cc2cccc(F)c2)n1 ZINC000072352061 522120964 /nfs/dbraw/zinc/12/09/64/522120964.db2.gz HVRMLFJQYNCLMH-NRFANRHFSA-N 1 2 447.558 3.830 40 0 IHABLO CC[NH+]1CCN(C(=O)C(=O)c2c(-c3ccc(OC)c(Cl)c3)cc3ccccn32)CC1 ZINC000013609675 556534358 /nfs/dbraw/zinc/53/43/58/556534358.db2.gz VPPCUEYFRLGMMU-UHFFFAOYSA-N 1 2 425.916 3.615 40 0 IHABLO O=c1c2ccccc2nc(CSC2=[NH+][C@H]3C=Cc4nsnc4[C@H]3N2)n1-c1ccccc1 ZINC000016523713 556613810 /nfs/dbraw/zinc/61/38/10/556613810.db2.gz BUXPXDMKAZUHKZ-LPHOPBHVSA-N 1 2 444.545 3.566 40 0 IHABLO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(SC(F)F)cc1 ZINC000017877439 556680154 /nfs/dbraw/zinc/68/01/54/556680154.db2.gz VHSSTNSPWVRFTO-GOSISDBHSA-N 1 2 435.471 3.595 40 0 IHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCOC[C@@H](Cc2cccc3ccncc32)C1 ZINC000257288795 556715904 /nfs/dbraw/zinc/71/59/04/556715904.db2.gz PVSKQXMEFMWUHT-FQEVSTJZSA-N 1 2 426.520 3.811 40 0 IHABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4ccnn4C)C3)c2)cc1 ZINC000019570334 556810432 /nfs/dbraw/zinc/81/04/32/556810432.db2.gz HEOMCWDRYKVBNR-SFHVURJKSA-N 1 2 433.512 3.894 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006283260 556831621 /nfs/dbraw/zinc/83/16/21/556831621.db2.gz HRASPKUOFAMJDC-AOMKIAJQSA-N 1 2 436.560 3.850 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006283260 556831624 /nfs/dbraw/zinc/83/16/24/556831624.db2.gz HRASPKUOFAMJDC-AOMKIAJQSA-N 1 2 436.560 3.850 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006409297 556834873 /nfs/dbraw/zinc/83/48/73/556834873.db2.gz OCEZPYRAGQLBJH-GAJHUEQPSA-N 1 2 446.530 3.832 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006409297 556834877 /nfs/dbraw/zinc/83/48/77/556834877.db2.gz OCEZPYRAGQLBJH-GAJHUEQPSA-N 1 2 446.530 3.832 40 0 IHABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000006410087 556835182 /nfs/dbraw/zinc/83/51/82/556835182.db2.gz ZEOHTJOXWBTQDP-JOCHJYFZSA-N 1 2 432.503 3.586 40 0 IHABLO O=C(c1cccc(I)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000069001792 556850502 /nfs/dbraw/zinc/85/05/02/556850502.db2.gz MVNPKZBHKLCRCC-VMPITWQZSA-N 1 2 432.305 3.762 40 0 IHABLO COc1cccc(CN2C(=O)CCc3c(C)nc(C[N@H+](C)CCc4ccccc4)nc32)c1 ZINC000019698632 556857454 /nfs/dbraw/zinc/85/74/54/556857454.db2.gz VBUMXEWUFBKSDU-UHFFFAOYSA-N 1 2 430.552 3.948 40 0 IHABLO COc1cccc(CN2C(=O)CCc3c(C)nc(C[N@@H+](C)CCc4ccccc4)nc32)c1 ZINC000019698632 556857459 /nfs/dbraw/zinc/85/74/59/556857459.db2.gz VBUMXEWUFBKSDU-UHFFFAOYSA-N 1 2 430.552 3.948 40 0 IHABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)CCc2cccc(Cl)c2)nc2c1C[N@H+](C)CC2 ZINC000019710270 556872266 /nfs/dbraw/zinc/87/22/66/556872266.db2.gz ISTCTOVMWTZRFR-NRFANRHFSA-N 1 2 442.007 3.870 40 0 IHABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)CCc2cccc(Cl)c2)nc2c1C[N@@H+](C)CC2 ZINC000019710270 556872270 /nfs/dbraw/zinc/87/22/70/556872270.db2.gz ISTCTOVMWTZRFR-NRFANRHFSA-N 1 2 442.007 3.870 40 0 IHABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 ZINC000019740652 556881198 /nfs/dbraw/zinc/88/11/98/556881198.db2.gz JFSDKQRFTFVJQU-QHCPKHFHSA-N 1 2 444.583 3.686 40 0 IHABLO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 ZINC000019740652 556881202 /nfs/dbraw/zinc/88/12/02/556881202.db2.gz JFSDKQRFTFVJQU-QHCPKHFHSA-N 1 2 444.583 3.686 40 0 IHABLO O=C(C[NH+]1CCCC1)N1CCC(c2ccc3c(n[nH]c3NCc3ccccc3F)n2)CC1 ZINC000019745124 556891964 /nfs/dbraw/zinc/89/19/64/556891964.db2.gz SBSHVZHSMKDKIR-UHFFFAOYSA-N 1 2 436.535 3.511 40 0 IHABLO CCn1cc(S(=O)(=O)N2CCC[C@@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)c(C)n1 ZINC000072353401 556926480 /nfs/dbraw/zinc/92/64/80/556926480.db2.gz XLGHAFZUEDTVEX-GOSISDBHSA-N 1 2 440.573 3.622 40 0 IHABLO Cc1cc(-c2cncnc2)cc([C@H]2CCCN(C(=O)C[N@@H+](C)Cc3ccccc3F)C2)n1 ZINC000072353785 556928369 /nfs/dbraw/zinc/92/83/69/556928369.db2.gz YSDSMKRHHNSCOK-FQEVSTJZSA-N 1 2 433.531 3.824 40 0 IHABLO Cc1cc(-c2cncnc2)cc([C@H]2CCCN(C(=O)C[N@H+](C)Cc3ccccc3F)C2)n1 ZINC000072353785 556928372 /nfs/dbraw/zinc/92/83/72/556928372.db2.gz YSDSMKRHHNSCOK-FQEVSTJZSA-N 1 2 433.531 3.824 40 0 IHABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)Cc3ccccc3)C[C@@]23CCCN(CC2CC2)C3=O)c1 ZINC000585107543 557039003 /nfs/dbraw/zinc/03/90/03/557039003.db2.gz ZKMYCXZGOXXTIE-GJZUVCINSA-N 1 2 434.584 3.651 40 0 IHABLO CC[C@@]12CCC[N@@H+]3CCc4c5ccc(Br)cc5n(c4[C@@H]31)[C@@](O)(C(=O)OC)C2 ZINC000049925472 557118956 /nfs/dbraw/zinc/11/89/56/557118956.db2.gz WYIJGAVIVKPUGJ-GIVPXCGWSA-N 1 2 433.346 3.715 40 0 in-man IHABLO CC[C@@]12CCC[N@H+]3CCc4c5ccc(Br)cc5n(c4[C@@H]31)[C@@](O)(C(=O)OC)C2 ZINC000049925472 557118960 /nfs/dbraw/zinc/11/89/60/557118960.db2.gz WYIJGAVIVKPUGJ-GIVPXCGWSA-N 1 2 433.346 3.715 40 0 in-man IHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC[C@H]3C)cc2c1 ZINC000006283140 557130138 /nfs/dbraw/zinc/13/01/38/557130138.db2.gz CPEBGTAZKBMUOX-HXOBKFHXSA-N 1 2 444.539 3.535 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC[C@H]3C)cc2c1 ZINC000006283140 557130143 /nfs/dbraw/zinc/13/01/43/557130143.db2.gz CPEBGTAZKBMUOX-HXOBKFHXSA-N 1 2 444.539 3.535 40 0 IHABLO COc1ccc(CC(=O)N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3C)cc1 ZINC000096144957 557173758 /nfs/dbraw/zinc/17/37/58/557173758.db2.gz RRZYKCUROHULJE-UHFFFAOYSA-N 1 2 430.552 3.565 40 0 IHABLO COc1ccc(CC(=O)N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3C)cc1 ZINC000096144957 557173759 /nfs/dbraw/zinc/17/37/59/557173759.db2.gz RRZYKCUROHULJE-UHFFFAOYSA-N 1 2 430.552 3.565 40 0 IHABLO CC(C)C(=O)N1CCc2nc3cc(C4CC[NH+](C[C@H]5CC=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000100232696 557250121 /nfs/dbraw/zinc/25/01/21/557250121.db2.gz QBBQDCXXEWIFTG-SFHVURJKSA-N 1 2 437.588 3.511 40 0 IHABLO CC(C)C[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057670863 557257023 /nfs/dbraw/zinc/25/70/23/557257023.db2.gz FIEYEUZAKGQNKG-QFIPXVFZSA-N 1 2 426.515 3.909 40 0 IHABLO Cc1ccc2cc(C[N@@H+](CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498567 557328209 /nfs/dbraw/zinc/32/82/09/557328209.db2.gz ZRYCJIWSIKSPME-JOCHJYFZSA-N 1 2 438.576 3.520 40 0 IHABLO Cc1ccc2cc(C[N@H+](CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498567 557328211 /nfs/dbraw/zinc/32/82/11/557328211.db2.gz ZRYCJIWSIKSPME-JOCHJYFZSA-N 1 2 438.576 3.520 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1CC[NH+]1CCOCC1 ZINC000223149982 557439265 /nfs/dbraw/zinc/43/92/65/557439265.db2.gz WXLQYVBAIAIHQG-GOTSBHOMSA-N 1 2 439.629 3.693 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1CC[NH+]1CCOCC1 ZINC000223162892 557440215 /nfs/dbraw/zinc/44/02/15/557440215.db2.gz URRRCUHBDFATKO-XZOQPEGZSA-N 1 2 439.629 3.693 40 0 IHABLO CSc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1NC(=O)C(C)C ZINC000225033004 557680883 /nfs/dbraw/zinc/68/08/83/557680883.db2.gz QGXDNJZIJZQBHN-UHFFFAOYSA-N 1 2 444.582 3.667 40 0 IHABLO CC(C)NC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000015675837 560095713 /nfs/dbraw/zinc/09/57/13/560095713.db2.gz XKVAHCWDSMTPQZ-HNNXBMFYSA-N 1 2 436.394 3.576 40 0 biogenic,in-vitro IHABLO CC(C)NC(=O)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000015675837 560095715 /nfs/dbraw/zinc/09/57/15/560095715.db2.gz XKVAHCWDSMTPQZ-HNNXBMFYSA-N 1 2 436.394 3.576 40 0 biogenic,in-vitro IHABLO O=C(Nc1cccc(F)c1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000015707357 560096774 /nfs/dbraw/zinc/09/67/74/560096774.db2.gz QXBHPZVTYMOCRM-KRWDZBQOSA-N 1 2 448.414 3.659 40 0 biogenic,in-vitro IHABLO O=C(Nc1cccc(F)c1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000015707357 560096775 /nfs/dbraw/zinc/09/67/75/560096775.db2.gz QXBHPZVTYMOCRM-KRWDZBQOSA-N 1 2 448.414 3.659 40 0 biogenic,in-vitro IHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)ncn3CCOC)n1 ZINC000257234444 568681106 /nfs/dbraw/zinc/68/11/06/568681106.db2.gz GTOHFMCRNUEYJM-QFIPXVFZSA-N 1 2 444.539 3.803 40 0 IHABLO CCc1nnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4sc(C)nc4C)CCO3)c2)s1 ZINC000257248827 568687902 /nfs/dbraw/zinc/68/79/02/568687902.db2.gz JFJWWZPDHCALTE-MRXNPFEDSA-N 1 2 444.586 3.835 40 0 IHABLO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257288754 568706298 /nfs/dbraw/zinc/70/62/98/568706298.db2.gz PVLWKNFLUPPHPM-HSZRJFAPSA-N 1 2 447.583 3.903 40 0 IHABLO COc1ccccc1C[N@H+]1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257288754 568706302 /nfs/dbraw/zinc/70/63/02/568706302.db2.gz PVLWKNFLUPPHPM-HSZRJFAPSA-N 1 2 447.583 3.903 40 0 IHABLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(Nc4cccc(C)n4)n3)C2)cc1CO ZINC000257294803 568708939 /nfs/dbraw/zinc/70/89/39/568708939.db2.gz QVUSUMZCGVLXJY-QHCPKHFHSA-N 1 2 434.540 3.993 40 0 IHABLO CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(Nc4cccc(C)n4)n3)C2)cc1CO ZINC000257294803 568708943 /nfs/dbraw/zinc/70/89/43/568708943.db2.gz QVUSUMZCGVLXJY-QHCPKHFHSA-N 1 2 434.540 3.993 40 0 IHABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2Nc2nc(C)cc(C)n2)CC[N@@H+]1C ZINC000257302851 568712331 /nfs/dbraw/zinc/71/23/31/568712331.db2.gz SERXNZAEGHUMPU-QFIPXVFZSA-N 1 2 431.540 3.975 40 0 IHABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2Nc2nc(C)cc(C)n2)CC[N@H+]1C ZINC000257302851 568712333 /nfs/dbraw/zinc/71/23/33/568712333.db2.gz SERXNZAEGHUMPU-QFIPXVFZSA-N 1 2 431.540 3.975 40 0 IHABLO CCc1nnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4scnc4C)CCO3)c2)s1 ZINC000257321663 568720776 /nfs/dbraw/zinc/72/07/76/568720776.db2.gz WCQGAJSGMLPCKU-OAHLLOKOSA-N 1 2 430.559 3.526 40 0 IHABLO COc1cccc(C(=O)N2CCO[C@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)[nH+]3)C2)c1 ZINC000257333712 568726077 /nfs/dbraw/zinc/72/60/77/568726077.db2.gz YCSNIBDRGICPAA-QFIPXVFZSA-N 1 2 433.512 3.763 40 0 IHABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1cccc(OC3CCCC3)c1)CC2 ZINC000257336499 568727207 /nfs/dbraw/zinc/72/72/07/568727207.db2.gz YOSPEGWFOQZMOY-FQEVSTJZSA-N 1 2 449.599 3.734 40 0 IHABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1cccc(OC3CCCC3)c1)CC2 ZINC000257336499 568727208 /nfs/dbraw/zinc/72/72/08/568727208.db2.gz YOSPEGWFOQZMOY-FQEVSTJZSA-N 1 2 449.599 3.734 40 0 IHABLO Cc1cc(Nc2nncs2)cc([C@H]2CN(C(=O)CCOc3ccccc3C)CCO2)[nH+]1 ZINC000257338231 568728008 /nfs/dbraw/zinc/72/80/08/568728008.db2.gz YWMWQLZGDBFHBA-HXUWFJFHSA-N 1 2 439.541 3.663 40 0 IHABLO OCCNc1nc(NCc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329069436 568811205 /nfs/dbraw/zinc/81/12/05/568811205.db2.gz YXYWJRCSLMHUFD-UHFFFAOYSA-N 1 2 438.837 3.556 40 0 IHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000245230259 569205406 /nfs/dbraw/zinc/20/54/06/569205406.db2.gz OIKYCLFXMWKDDE-QDMVCWPOSA-N 1 2 438.499 3.686 40 0 IHABLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c1C ZINC000019692960 569228493 /nfs/dbraw/zinc/22/84/93/569228493.db2.gz XEDHPKYAIQGNDX-JOCHJYFZSA-N 1 2 438.551 3.755 40 0 IHABLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c1C ZINC000019692960 569228494 /nfs/dbraw/zinc/22/84/94/569228494.db2.gz XEDHPKYAIQGNDX-JOCHJYFZSA-N 1 2 438.551 3.755 40 0 IHABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000019702100 569231683 /nfs/dbraw/zinc/23/16/83/569231683.db2.gz JIQXXUNZFMRQCJ-CQSZACIVSA-N 1 2 426.517 3.565 40 0 IHABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000019702100 569231684 /nfs/dbraw/zinc/23/16/84/569231684.db2.gz JIQXXUNZFMRQCJ-CQSZACIVSA-N 1 2 426.517 3.565 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2c(C)nn(C(C)C)c2C)CCO1 ZINC000019703213 569232890 /nfs/dbraw/zinc/23/28/90/569232890.db2.gz URWJSVCIIMJBPR-GOSISDBHSA-N 1 2 427.574 3.624 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2c(C)nn(C(C)C)c2C)CCO1 ZINC000019703213 569232891 /nfs/dbraw/zinc/23/28/91/569232891.db2.gz URWJSVCIIMJBPR-GOSISDBHSA-N 1 2 427.574 3.624 40 0 IHABLO Cc1[nH+]c2ccccn2c1CN1CCO[C@H](c2c3cccnc3sc2C(=O)NC(C)C)C1 ZINC000019703296 569232996 /nfs/dbraw/zinc/23/29/96/569232996.db2.gz KUYSVQPEMSFOOC-IBGZPJMESA-N 1 2 449.580 3.964 40 0 IHABLO Cc1[nH+]c2ccccn2c1CN1CCO[C@@H](c2c3cccnc3sc2C(=O)NC(C)C)C1 ZINC000019703298 569233045 /nfs/dbraw/zinc/23/30/45/569233045.db2.gz KUYSVQPEMSFOOC-LJQANCHMSA-N 1 2 449.580 3.964 40 0 IHABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(Oc3ncccn3)cc2)ncc1C(=O)N(C)C ZINC000019764999 569238710 /nfs/dbraw/zinc/23/87/10/569238710.db2.gz IFUHAORVWIJULQ-OAQYLSRUSA-N 1 2 432.528 3.796 40 0 IHABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(Oc3ncccn3)cc2)ncc1C(=O)N(C)C ZINC000019764999 569238712 /nfs/dbraw/zinc/23/87/12/569238712.db2.gz IFUHAORVWIJULQ-OAQYLSRUSA-N 1 2 432.528 3.796 40 0 IHABLO Cc1nc(C[N@H+](C)CCOc2ccc(F)cc2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019698557 569326973 /nfs/dbraw/zinc/32/69/73/569326973.db2.gz VEICRYNUCWTAOR-UHFFFAOYSA-N 1 2 448.542 3.957 40 0 IHABLO Cc1nc(C[N@@H+](C)CCOc2ccc(F)cc2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019698557 569326974 /nfs/dbraw/zinc/32/69/74/569326974.db2.gz VEICRYNUCWTAOR-UHFFFAOYSA-N 1 2 448.542 3.957 40 0 IHABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000096111930 291368367 /nfs/dbraw/zinc/36/83/67/291368367.db2.gz ZHKLDWFLJUQCLR-HKUYNNGSSA-N 1 2 436.430 3.600 40 0 biogenic,in-vitro IHABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000096111930 291368370 /nfs/dbraw/zinc/36/83/70/291368370.db2.gz ZHKLDWFLJUQCLR-HKUYNNGSSA-N 1 2 436.430 3.600 40 0 biogenic,in-vitro IHABLO O=C(c1ccccc1)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225425422 291376244 /nfs/dbraw/zinc/37/62/44/291376244.db2.gz SQRXZCNJZYODDM-UHFFFAOYSA-N 1 2 433.577 3.825 40 0 biogenic,in-vitro IHABLO O=C(c1ccccc1)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225425422 291376245 /nfs/dbraw/zinc/37/62/45/291376245.db2.gz SQRXZCNJZYODDM-UHFFFAOYSA-N 1 2 433.577 3.825 40 0 biogenic,in-vitro IHABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)CC2 ZINC000022609278 523031935 /nfs/dbraw/zinc/03/19/35/523031935.db2.gz RCMJHRUZDLEVGD-QGZVFWFLSA-N 1 2 435.307 3.701 40 0 IHABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)CC2 ZINC000022609278 523031939 /nfs/dbraw/zinc/03/19/39/523031939.db2.gz RCMJHRUZDLEVGD-QGZVFWFLSA-N 1 2 435.307 3.701 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000012637549 524973295 /nfs/dbraw/zinc/97/32/95/524973295.db2.gz IYAMYDGJJLKJQR-KOSHJBKYSA-N 1 2 442.567 3.887 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3CCc3ccccc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000012637549 524973306 /nfs/dbraw/zinc/97/33/06/524973306.db2.gz IYAMYDGJJLKJQR-KOSHJBKYSA-N 1 2 442.567 3.887 40 0 IHABLO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)c2)cc1 ZINC000020452763 525611218 /nfs/dbraw/zinc/61/12/18/525611218.db2.gz RSBMNKKWANAHMW-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccncc4F)C[C@H]2N(C)C3=O)c1 ZINC000514288826 556625151 /nfs/dbraw/zinc/62/51/51/556625151.db2.gz BZFAIXHPJVOXTG-VWNXMTODSA-N 1 2 433.483 3.614 40 0 biogenic,in-vitro IHABLO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccncc4F)C[C@H]2N(C)C3=O)c1 ZINC000514288826 556625153 /nfs/dbraw/zinc/62/51/53/556625153.db2.gz BZFAIXHPJVOXTG-VWNXMTODSA-N 1 2 433.483 3.614 40 0 biogenic,in-vitro IHABLO O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCC[N@@H+]3Cc3ccsc3)[nH]c(=O)c2C1 ZINC000019332106 556737169 /nfs/dbraw/zinc/73/71/69/556737169.db2.gz NMSWXIDZKDWMID-FQEVSTJZSA-N 1 2 438.528 3.506 40 0 IHABLO O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCC[N@H+]3Cc3ccsc3)[nH]c(=O)c2C1 ZINC000019332106 556737173 /nfs/dbraw/zinc/73/71/73/556737173.db2.gz NMSWXIDZKDWMID-FQEVSTJZSA-N 1 2 438.528 3.506 40 0 IHABLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000019344207 556742109 /nfs/dbraw/zinc/74/21/09/556742109.db2.gz HKRHGVWDNSQMDG-CYBMUJFWSA-N 1 2 446.458 3.689 40 0 IHABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000001346608 556779982 /nfs/dbraw/zinc/77/99/82/556779982.db2.gz LFGNUYYBZGMRRA-UHFFFAOYSA-N 1 2 448.508 3.513 40 0 IHABLO COC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1 ZINC000001358904 556785947 /nfs/dbraw/zinc/78/59/47/556785947.db2.gz JBIQPYGNFSRXFP-UHFFFAOYSA-N 1 2 426.904 3.821 40 0 IHABLO CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC000019528779 556789087 /nfs/dbraw/zinc/78/90/87/556789087.db2.gz NNUAPUPGLBJBQZ-KOSHJBKYSA-N 1 2 436.581 3.770 40 0 IHABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4ccn(C)n4)C3)c2)cc1 ZINC000019570312 556810332 /nfs/dbraw/zinc/81/03/32/556810332.db2.gz QHFHTXPHNJIHBL-GOSISDBHSA-N 1 2 433.512 3.894 40 0 IHABLO Cc1cc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000006321405 556833013 /nfs/dbraw/zinc/83/30/13/556833013.db2.gz CJRDCBBBSXUQEK-HSZRJFAPSA-N 1 2 428.540 3.755 40 0 IHABLO C[N@@H+]1CCO[C@H](c2c3ccccc3sc2C(=O)NCc2nc(Cc3ccccc3)no2)C1 ZINC000019696681 556853445 /nfs/dbraw/zinc/85/34/45/556853445.db2.gz SDWWRVKFVOWDEY-SFHVURJKSA-N 1 2 448.548 3.808 40 0 IHABLO C[N@H+]1CCO[C@H](c2c3ccccc3sc2C(=O)NCc2nc(Cc3ccccc3)no2)C1 ZINC000019696681 556853449 /nfs/dbraw/zinc/85/34/49/556853449.db2.gz SDWWRVKFVOWDEY-SFHVURJKSA-N 1 2 448.548 3.808 40 0 IHABLO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@H+](C)Cc4ccc(O)cc4)nc32)c1 ZINC000019703478 556861914 /nfs/dbraw/zinc/86/19/14/556861914.db2.gz CTAWBQOOYBEXHL-UHFFFAOYSA-N 1 2 446.551 3.653 40 0 IHABLO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@@H+](C)Cc4ccc(O)cc4)nc32)c1 ZINC000019703478 556861918 /nfs/dbraw/zinc/86/19/18/556861918.db2.gz CTAWBQOOYBEXHL-UHFFFAOYSA-N 1 2 446.551 3.653 40 0 IHABLO CN(C)c1nc([C@H]2CCCCN2C(=O)CCCc2ccc(F)cc2)nc2c1C[N@H+](C)CC2 ZINC000019752434 556896137 /nfs/dbraw/zinc/89/61/37/556896137.db2.gz LPRPBEGAYGFDEI-JOCHJYFZSA-N 1 2 439.579 3.746 40 0 IHABLO CN(C)c1nc([C@H]2CCCCN2C(=O)CCCc2ccc(F)cc2)nc2c1C[N@@H+](C)CC2 ZINC000019752434 556896139 /nfs/dbraw/zinc/89/61/39/556896139.db2.gz LPRPBEGAYGFDEI-JOCHJYFZSA-N 1 2 439.579 3.746 40 0 IHABLO Cc1ccc(-c2ncc(C[N@@H+]3CCO[C@@H](c4cc(C(N)=O)c5ccccc5n4)C3)cn2)cc1 ZINC000019762300 556906508 /nfs/dbraw/zinc/90/65/08/556906508.db2.gz DUZSFEQINTVVNR-XMMPIXPASA-N 1 2 439.519 3.673 40 0 IHABLO Cc1ccc(-c2ncc(C[N@H+]3CCO[C@@H](c4cc(C(N)=O)c5ccccc5n4)C3)cn2)cc1 ZINC000019762300 556906511 /nfs/dbraw/zinc/90/65/11/556906511.db2.gz DUZSFEQINTVVNR-XMMPIXPASA-N 1 2 439.519 3.673 40 0 IHABLO COc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1C[NH+]1CCOCC1 ZINC000072341967 556914376 /nfs/dbraw/zinc/91/43/76/556914376.db2.gz MVTRUMDCLIOGJC-UHFFFAOYSA-N 1 2 435.553 3.911 40 0 IHABLO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)Cc2ccc(OC)cc2)n1 ZINC000072391877 556962701 /nfs/dbraw/zinc/96/27/01/556962701.db2.gz DLUSFFXAYBZSCE-NRFANRHFSA-N 1 2 445.567 3.675 40 0 IHABLO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)Cc2ccc(OC)cc2)n1 ZINC000072391877 556962705 /nfs/dbraw/zinc/96/27/05/556962705.db2.gz DLUSFFXAYBZSCE-NRFANRHFSA-N 1 2 445.567 3.675 40 0 IHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@@H](Cc2ccc3cc[nH]c3n2)CC1 ZINC000585261886 557197181 /nfs/dbraw/zinc/19/71/81/557197181.db2.gz KEVWIFLMOSPABD-HXUWFJFHSA-N 1 2 432.568 3.880 40 0 IHABLO COc1ccc([C@H]2CN(C(=O)c3ccc(OC)c(NCc4ccncc4)c3)CC[N@@H+]2C)cc1 ZINC000585262089 557200487 /nfs/dbraw/zinc/20/04/87/557200487.db2.gz USYVRGXZPJCCND-XMMPIXPASA-N 1 2 446.551 3.840 40 0 IHABLO COc1ccc([C@H]2CN(C(=O)c3ccc(OC)c(NCc4ccncc4)c3)CC[N@H+]2C)cc1 ZINC000585262089 557200491 /nfs/dbraw/zinc/20/04/91/557200491.db2.gz USYVRGXZPJCCND-XMMPIXPASA-N 1 2 446.551 3.840 40 0 IHABLO COc1cccc(OC)c1C[NH2+][C@@H](c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1)C(C)C ZINC000100730061 557272592 /nfs/dbraw/zinc/27/25/92/557272592.db2.gz KVVNFUYAAZRURW-XMMPIXPASA-N 1 2 440.544 3.833 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1CC[NH+]1CCOCC1 ZINC000223156550 557440089 /nfs/dbraw/zinc/44/00/89/557440089.db2.gz ZSOCFEBTDRZOAC-DHIUTWEWSA-N 1 2 434.565 3.646 40 0 IHABLO CC[N@H+](CCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(C)cc1 ZINC000224392676 557601198 /nfs/dbraw/zinc/60/11/98/557601198.db2.gz RSGXAPLYINXSBA-UHFFFAOYSA-N 1 2 429.586 3.571 40 0 IHABLO CC[N@@H+](CCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(C)cc1 ZINC000224392676 557601199 /nfs/dbraw/zinc/60/11/99/557601199.db2.gz RSGXAPLYINXSBA-UHFFFAOYSA-N 1 2 429.586 3.571 40 0 IHABLO Nc1ccc(-c2cccc(C(=O)N3CCOC[C@@H](Cc4cccc5ncccc45)C3)n2)c[nH+]1 ZINC000257265351 568695420 /nfs/dbraw/zinc/69/54/20/568695420.db2.gz LYHVFTDIOWSIFS-SFHVURJKSA-N 1 2 439.519 3.605 40 0 IHABLO COCc1ccc(C(=O)N2CCO[C@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)[nH+]3)C2)cc1 ZINC000257270718 568697917 /nfs/dbraw/zinc/69/79/17/568697917.db2.gz MVJQEMUKJQCNEX-QHCPKHFHSA-N 1 2 447.539 3.901 40 0 IHABLO CCc1nnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4cccc(OC)c4)CCO3)c2)s1 ZINC000257273672 568699235 /nfs/dbraw/zinc/69/92/35/568699235.db2.gz NHQPHGGOHWDECQ-IBGZPJMESA-N 1 2 439.541 3.770 40 0 IHABLO Cc1nc2cc([C@@H]3CCC[N@@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257288316 568705901 /nfs/dbraw/zinc/70/59/01/568705901.db2.gz PTSPJLSFIVIUNR-QHCPKHFHSA-N 1 2 432.572 3.537 40 0 IHABLO Cc1nc2cc([C@@H]3CCC[N@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257288316 568705902 /nfs/dbraw/zinc/70/59/02/568705902.db2.gz PTSPJLSFIVIUNR-QHCPKHFHSA-N 1 2 432.572 3.537 40 0 IHABLO O=C(c1ccccc1CN1CCOCC1)N1CCC[C@H](Cc2cccc3[nH+]ccn32)CC1 ZINC000257298639 568710721 /nfs/dbraw/zinc/71/07/21/568710721.db2.gz RMRQMBTYVCHTJT-NRFANRHFSA-N 1 2 432.568 3.652 40 0 IHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257311915 568716230 /nfs/dbraw/zinc/71/62/30/568716230.db2.gz ULORHEHUSKJUOD-RXVVDRJESA-N 1 2 440.874 3.784 40 0 IHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257311915 568716232 /nfs/dbraw/zinc/71/62/32/568716232.db2.gz ULORHEHUSKJUOD-RXVVDRJESA-N 1 2 440.874 3.784 40 0 IHABLO COc1ccc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3OC)C2)cc1NCc1cccnc1 ZINC000257332832 568725422 /nfs/dbraw/zinc/72/54/22/568725422.db2.gz XYWQRJYFUSDKGU-HSZRJFAPSA-N 1 2 446.551 3.840 40 0 IHABLO COc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3OC)C2)cc1NCc1cccnc1 ZINC000257332832 568725424 /nfs/dbraw/zinc/72/54/24/568725424.db2.gz XYWQRJYFUSDKGU-HSZRJFAPSA-N 1 2 446.551 3.840 40 0 IHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)Cn2c(COC)nc3ccccc32)n1 ZINC000257338742 568728053 /nfs/dbraw/zinc/72/80/53/568728053.db2.gz YYUHVBMSDIZWLM-FQEVSTJZSA-N 1 2 444.539 3.690 40 0 IHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(SC)cc1 ZINC000261366039 568733755 /nfs/dbraw/zinc/73/37/55/568733755.db2.gz XBFNAGZQEACQAH-FQEVSTJZSA-O 1 2 425.559 3.884 40 0 IHABLO CCNc1nc(Nc2ccc(I)cc2F)cc(-c2ccccc2)[nH+]1 ZINC000328966519 568808021 /nfs/dbraw/zinc/80/80/21/568808021.db2.gz CMGKQSWFDMHARQ-UHFFFAOYSA-N 1 2 434.256 3.907 40 0 IHABLO OCCNc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329056606 568810550 /nfs/dbraw/zinc/81/05/50/568810550.db2.gz VSNSIUKSVPQLFB-UHFFFAOYSA-N 1 2 438.837 3.556 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CCO1 ZINC000019703323 569232978 /nfs/dbraw/zinc/23/29/78/569232978.db2.gz LBLQZKICVLKTEX-LJQANCHMSA-N 1 2 437.565 3.943 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)CCO1 ZINC000019703323 569232980 /nfs/dbraw/zinc/23/29/80/569232980.db2.gz LBLQZKICVLKTEX-LJQANCHMSA-N 1 2 437.565 3.943 40 0 IHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(OC)c(O)c(OC)c1 ZINC000261363099 569315627 /nfs/dbraw/zinc/31/56/27/569315627.db2.gz GAMYAKGVUXLUON-HXUWFJFHSA-O 1 2 441.533 3.724 40 0 IHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(Br)c1 ZINC000261365403 569315887 /nfs/dbraw/zinc/31/58/87/569315887.db2.gz RZOBPAAXBZIWSQ-SFHVURJKSA-O 1 2 444.334 3.535 40 0 IHABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccc5ccccc5n4)C[C@H]3F)nc2c1 ZINC000096112387 291368355 /nfs/dbraw/zinc/36/83/55/291368355.db2.gz QDIIZZIBGAYTCZ-GCJKJVERSA-N 1 2 434.471 3.637 40 0 biogenic,in-vitro IHABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccc5ccccc5n4)C[C@H]3F)nc2c1 ZINC000096112387 291368359 /nfs/dbraw/zinc/36/83/59/291368359.db2.gz QDIIZZIBGAYTCZ-GCJKJVERSA-N 1 2 434.471 3.637 40 0 biogenic,in-vitro IHABLO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)CC1 ZINC000408545720 555798077 /nfs/dbraw/zinc/79/80/77/555798077.db2.gz MZEXOOPTVKCOGS-UHFFFAOYSA-N 1 2 435.977 3.535 40 0 IHABLO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408562847 555906357 /nfs/dbraw/zinc/90/63/57/555906357.db2.gz FAAKWTIAGYATLJ-UHFFFAOYSA-N 1 2 433.474 3.500 40 0 IHABLO COc1cccc(C(=S)NCC[NH+]2CCOCC2)c1OCc1c(F)cccc1Cl ZINC000408577464 555928286 /nfs/dbraw/zinc/92/82/86/555928286.db2.gz SQADKQZLDRFDNQ-UHFFFAOYSA-N 1 2 438.952 3.664 40 0 IHABLO C[C@@]1(O)CC[N@H+](Cc2ccncc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514288782 556624994 /nfs/dbraw/zinc/62/49/94/556624994.db2.gz BONIRQFXSVYYFY-QNWVGRARSA-N 1 2 425.529 3.779 40 0 biogenic,in-vitro IHABLO C[C@@]1(O)CC[N@@H+](Cc2ccncc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514288782 556624995 /nfs/dbraw/zinc/62/49/95/556624995.db2.gz BONIRQFXSVYYFY-QNWVGRARSA-N 1 2 425.529 3.779 40 0 biogenic,in-vitro IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCOC[C@H](Cc2cccc3ccncc32)C1 ZINC000257266482 556713485 /nfs/dbraw/zinc/71/34/85/556713485.db2.gz MDFHCFUNKZFUSX-OAQYLSRUSA-N 1 2 426.520 3.811 40 0 IHABLO Cc1ccc2c(c1)cc(C[N@H+](Cc1nnnn1C(C)(C)C)C1CCCCC1)c1nnnn12 ZINC000001367532 556791852 /nfs/dbraw/zinc/79/18/52/556791852.db2.gz BOGHWZBFVVGKPO-UHFFFAOYSA-N 1 2 433.564 3.662 40 0 IHABLO Cc1ccc2c(c1)cc(C[N@@H+](Cc1nnnn1C(C)(C)C)C1CCCCC1)c1nnnn12 ZINC000001367532 556791854 /nfs/dbraw/zinc/79/18/54/556791854.db2.gz BOGHWZBFVVGKPO-UHFFFAOYSA-N 1 2 433.564 3.662 40 0 IHABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)cc2c1 ZINC000006301154 556832213 /nfs/dbraw/zinc/83/22/13/556832213.db2.gz UWOZHMNKOGSNRC-HSZRJFAPSA-N 1 2 446.530 3.894 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)c(=O)[nH]c12 ZINC000006443797 556836510 /nfs/dbraw/zinc/83/65/10/556836510.db2.gz OJKYXKGTUJJZKH-QHCPKHFHSA-N 1 2 446.530 3.832 40 0 IHABLO C[N@@H+]1CCO[C@@H](c2c3ccccc3sc2C(=O)N2CCN(C3CCCCC3)C(=O)C2)C1 ZINC000019696697 556853479 /nfs/dbraw/zinc/85/34/79/556853479.db2.gz OVIMNXHIBRPSGU-LJQANCHMSA-N 1 2 441.597 3.522 40 0 IHABLO C[N@H+]1CCO[C@@H](c2c3ccccc3sc2C(=O)N2CCN(C3CCCCC3)C(=O)C2)C1 ZINC000019696697 556853482 /nfs/dbraw/zinc/85/34/82/556853482.db2.gz OVIMNXHIBRPSGU-LJQANCHMSA-N 1 2 441.597 3.522 40 0 IHABLO Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@@H+](Cc1cccc(F)c1)C2 ZINC000019701266 556861157 /nfs/dbraw/zinc/86/11/57/556861157.db2.gz MOJLOZZHPBMENW-JOCHJYFZSA-N 1 2 449.505 3.638 40 0 IHABLO Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@H+](Cc1cccc(F)c1)C2 ZINC000019701266 556861160 /nfs/dbraw/zinc/86/11/60/556861160.db2.gz MOJLOZZHPBMENW-JOCHJYFZSA-N 1 2 449.505 3.638 40 0 IHABLO COc1ccc(-c2noc(CCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000071820177 556888557 /nfs/dbraw/zinc/88/85/57/556888557.db2.gz WTVOJCMCYMBAEZ-VMPITWQZSA-N 1 2 432.524 3.535 40 0 IHABLO COc1ccc([C@@H]2NC3=[NH+]CN(C4CCCCC4)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000019960402 556955235 /nfs/dbraw/zinc/95/52/35/556955235.db2.gz LFVHQLXKAGUIJU-HSZRJFAPSA-N 1 2 446.555 3.929 40 0 IHABLO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)Cc2cccc(OC)c2)n1 ZINC000072391883 556962790 /nfs/dbraw/zinc/96/27/90/556962790.db2.gz FPPJIMUGQBXDTE-NRFANRHFSA-N 1 2 445.567 3.675 40 0 IHABLO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)Cc2cccc(OC)c2)n1 ZINC000072391883 556962791 /nfs/dbraw/zinc/96/27/91/556962791.db2.gz FPPJIMUGQBXDTE-NRFANRHFSA-N 1 2 445.567 3.675 40 0 IHABLO CCCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OCCC ZINC000072414197 556972078 /nfs/dbraw/zinc/97/20/78/556972078.db2.gz GERYSHHGJXWUET-UHFFFAOYSA-N 1 2 432.586 3.771 40 0 IHABLO CCCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000020150656 556991236 /nfs/dbraw/zinc/99/12/36/556991236.db2.gz ULJQRIQFIWZTKL-OYSWMMLKSA-N 1 2 434.536 3.856 40 0 IHABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)Cc3ccccc3)C[C@]23CCCN(CC2CC2)C3=O)c1 ZINC000585107541 557039028 /nfs/dbraw/zinc/03/90/28/557039028.db2.gz ZKMYCXZGOXXTIE-ATIYNZHBSA-N 1 2 434.584 3.651 40 0 IHABLO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006148986 557146289 /nfs/dbraw/zinc/14/62/89/557146289.db2.gz PNFRBMCVGTWHIL-JOCHJYFZSA-N 1 2 436.560 3.850 40 0 IHABLO O=S1(=O)c2ccccc2[C@@]2(CC[N@H+](Cc3nccs3)C2)N1Cc1ccc(F)cc1 ZINC000096143158 557169818 /nfs/dbraw/zinc/16/98/18/557169818.db2.gz DEURCUWYBDQEGF-NRFANRHFSA-N 1 2 429.542 3.588 40 0 IHABLO O=S1(=O)c2ccccc2[C@@]2(CC[N@@H+](Cc3nccs3)C2)N1Cc1ccc(F)cc1 ZINC000096143158 557169820 /nfs/dbraw/zinc/16/98/20/557169820.db2.gz DEURCUWYBDQEGF-NRFANRHFSA-N 1 2 429.542 3.588 40 0 IHABLO CCCN(CCOC)C(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2Cc1cccc(OC)c1 ZINC000096143961 557171230 /nfs/dbraw/zinc/17/12/30/557171230.db2.gz CSBJNEYONGOKBK-AZGAKELHSA-N 1 2 438.568 3.580 40 0 IHABLO CCCN(CCOC)C(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2Cc1cccc(OC)c1 ZINC000096143961 557171234 /nfs/dbraw/zinc/17/12/34/557171234.db2.gz CSBJNEYONGOKBK-AZGAKELHSA-N 1 2 438.568 3.580 40 0 IHABLO Cc1ccc(N2CC[N@H+](Cc3ccccc3)C3(CCN(C(=O)c4ccco4)CC3)C2=O)cn1 ZINC000096230399 557185022 /nfs/dbraw/zinc/18/50/22/557185022.db2.gz YEJYJTNEAUTDDH-UHFFFAOYSA-N 1 2 444.535 3.507 40 0 IHABLO Cc1ccc(N2CC[N@@H+](Cc3ccccc3)C3(CCN(C(=O)c4ccco4)CC3)C2=O)cn1 ZINC000096230399 557185024 /nfs/dbraw/zinc/18/50/24/557185024.db2.gz YEJYJTNEAUTDDH-UHFFFAOYSA-N 1 2 444.535 3.507 40 0 IHABLO CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC[C@@H](Cc2cccc3[nH+]ccn32)CC1 ZINC000585261733 557196418 /nfs/dbraw/zinc/19/64/18/557196418.db2.gz AZDPZZGYHGEEEY-OAQYLSRUSA-N 1 2 432.568 3.643 40 0 IHABLO CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000017098088 557227063 /nfs/dbraw/zinc/22/70/63/557227063.db2.gz PQWCTECGLPXFBU-UHFFFAOYSA-N 1 2 432.572 3.770 40 0 IHABLO CC(C)C(=O)N1CCc2c(nc3cc(C4CC[NH+](CC5CCCCC5)CC4)[nH]n3c2=O)C1 ZINC000100232729 557249980 /nfs/dbraw/zinc/24/99/80/557249980.db2.gz VWOOIAYUQSESIQ-UHFFFAOYSA-N 1 2 439.604 3.735 40 0 IHABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](CC5CCCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000100232724 557250089 /nfs/dbraw/zinc/25/00/89/557250089.db2.gz CBAWSHYRXZEOIX-UHFFFAOYSA-N 1 2 439.604 3.879 40 0 IHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640835 557256020 /nfs/dbraw/zinc/25/60/20/557256020.db2.gz GFRSTINASZPFAQ-QHCPKHFHSA-N 1 2 446.555 3.623 40 0 IHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640835 557256022 /nfs/dbraw/zinc/25/60/22/557256022.db2.gz GFRSTINASZPFAQ-QHCPKHFHSA-N 1 2 446.555 3.623 40 0 IHABLO CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670420 557256571 /nfs/dbraw/zinc/25/65/71/557256571.db2.gz OGUBPMJTJBZRDL-PMACEKPBSA-N 1 2 433.000 3.867 40 0 IHABLO CC(C)(C)c1ccc(C[S@](=O)[C@H]2CCCC[C@H]2OC(=O)CC[NH+]2CCOCC2)cc1 ZINC000248156586 557300861 /nfs/dbraw/zinc/30/08/61/557300861.db2.gz DSUICHSCVSACPM-DGIFUFQNSA-N 1 2 435.630 3.810 40 0 IHABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499503 557328525 /nfs/dbraw/zinc/32/85/25/557328525.db2.gz FFURBWHAZKSPMC-OAQYLSRUSA-N 1 2 440.592 3.612 40 0 IHABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499503 557328528 /nfs/dbraw/zinc/32/85/28/557328528.db2.gz FFURBWHAZKSPMC-OAQYLSRUSA-N 1 2 440.592 3.612 40 0 IHABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499506 557328575 /nfs/dbraw/zinc/32/85/75/557328575.db2.gz WMUHLPBDSZSKGO-NRFANRHFSA-N 1 2 440.592 3.612 40 0 IHABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499506 557328577 /nfs/dbraw/zinc/32/85/77/557328577.db2.gz WMUHLPBDSZSKGO-NRFANRHFSA-N 1 2 440.592 3.612 40 0 IHABLO Cc1occc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1CCC[NH+]1CCOCC1 ZINC000013512601 557333654 /nfs/dbraw/zinc/33/36/54/557333654.db2.gz JDTHZASEBDTQIU-UHFFFAOYSA-N 1 2 444.532 3.683 40 0 IHABLO Cc1cc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc(C)c1Cl ZINC000014399990 557437025 /nfs/dbraw/zinc/43/70/25/557437025.db2.gz UFLGEELBFZWKLB-QGZVFWFLSA-N 1 2 430.932 3.797 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1CCC[NH+]1CCOCC1 ZINC000223205499 557445965 /nfs/dbraw/zinc/44/59/65/557445965.db2.gz XKEQTNODISKDMT-DHIUTWEWSA-N 1 2 439.629 3.693 40 0 IHABLO COc1ccccc1C[NH+]1CCN([C@@H](CC(C)C)c2nnnn2Cc2cccs2)CC1 ZINC000019446925 557499379 /nfs/dbraw/zinc/49/93/79/557499379.db2.gz HWJWGPVXFJWHEX-NRFANRHFSA-N 1 2 440.617 3.697 40 0 IHABLO COc1cc(C[NH+]2CCN(C(=S)Nc3ccc(C)c(C)c3)CC2)cc(OC)c1OC ZINC000225223057 557701966 /nfs/dbraw/zinc/70/19/66/557701966.db2.gz KPRNYSKVADXYOW-UHFFFAOYSA-N 1 2 429.586 3.844 40 0 IHABLO O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225409777 557719632 /nfs/dbraw/zinc/71/96/32/557719632.db2.gz XQJSMUFTRLPKDB-UHFFFAOYSA-N 1 2 438.285 3.674 40 0 IHABLO COc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015676063 560094641 /nfs/dbraw/zinc/09/46/41/560094641.db2.gz HEQPEDGUVQYQFU-IBGZPJMESA-N 1 2 434.431 3.939 40 0 biogenic,in-vitro IHABLO COc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015676063 560094642 /nfs/dbraw/zinc/09/46/42/560094642.db2.gz HEQPEDGUVQYQFU-IBGZPJMESA-N 1 2 434.431 3.939 40 0 biogenic,in-vitro IHABLO Cc1cnc(NC(=O)CN2CCO[C@@H](c3cc(Nc4[nH+]cccc4C)cc(C)n3)C2)s1 ZINC000257209621 568669480 /nfs/dbraw/zinc/66/94/80/568669480.db2.gz BREGGWBZZBQMTN-LJQANCHMSA-N 1 2 438.557 3.614 40 0 IHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257224101 568676138 /nfs/dbraw/zinc/67/61/38/568676138.db2.gz FAHVWOALGKQWCD-RXVVDRJESA-N 1 2 449.935 3.932 40 0 IHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257224101 568676142 /nfs/dbraw/zinc/67/61/42/568676142.db2.gz FAHVWOALGKQWCD-RXVVDRJESA-N 1 2 449.935 3.932 40 0 IHABLO Cc1cc(Nc2cc[nH+]c(NC3CCN(C(=O)c4cccc(Cl)c4F)CC3)n2)n[nH]1 ZINC000257242777 568684958 /nfs/dbraw/zinc/68/49/58/568684958.db2.gz IECASKHMLUSHGK-UHFFFAOYSA-N 1 2 429.887 3.761 40 0 IHABLO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257244941 568686071 /nfs/dbraw/zinc/68/60/71/568686071.db2.gz INKIBFCMRVKBKM-XMMPIXPASA-N 1 2 441.535 3.686 40 0 IHABLO Cc1nc2cc(C)ccn2c1C[N@H+]1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257244941 568686073 /nfs/dbraw/zinc/68/60/73/568686073.db2.gz INKIBFCMRVKBKM-XMMPIXPASA-N 1 2 441.535 3.686 40 0 IHABLO Cc1ccc(OC(C)(C)C(=O)N2CC[C@@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)cc1C ZINC000257249813 568688531 /nfs/dbraw/zinc/68/85/31/568688531.db2.gz JJWBCBJITSVNIN-LJQANCHMSA-N 1 2 431.540 3.911 40 0 IHABLO CC(=O)Nc1ccc(OCC[N@@H+]2CCO[C@H](c3ccc(Nc4ncccc4C)cn3)C2)cc1 ZINC000257257342 568692098 /nfs/dbraw/zinc/69/20/98/568692098.db2.gz KPDFYSUNOGJLPJ-DEOSSOPVSA-N 1 2 447.539 3.939 40 0 IHABLO CC(=O)Nc1ccc(OCC[N@H+]2CCO[C@H](c3ccc(Nc4ncccc4C)cn3)C2)cc1 ZINC000257257342 568692102 /nfs/dbraw/zinc/69/21/02/568692102.db2.gz KPDFYSUNOGJLPJ-DEOSSOPVSA-N 1 2 447.539 3.939 40 0 IHABLO Cc1cc(C)cc(C2(C(=O)N3CCOC[C@@H](Cc4ccc5[nH+]ccn5c4)C3)CCOCC2)c1 ZINC000257259874 568692972 /nfs/dbraw/zinc/69/29/72/568692972.db2.gz LAKADCGUCAZTKS-QHCPKHFHSA-N 1 2 447.579 3.717 40 0 IHABLO COc1ccc(-c2cncc([C@@H]3C[N@H+](Cc4c(C)nc5cc(C)ccn54)CCO3)n2)cc1 ZINC000257287954 568705952 /nfs/dbraw/zinc/70/59/52/568705952.db2.gz PSEUPHMKJNSFIN-DEOSSOPVSA-N 1 2 429.524 3.990 40 0 IHABLO COc1ccc(-c2cncc([C@@H]3C[N@@H+](Cc4c(C)nc5cc(C)ccn54)CCO3)n2)cc1 ZINC000257287954 568705954 /nfs/dbraw/zinc/70/59/54/568705954.db2.gz PSEUPHMKJNSFIN-DEOSSOPVSA-N 1 2 429.524 3.990 40 0 IHABLO COc1ccc(-c2cncc([C@@H]3CN(Cc4c(C)[nH+]c5cc(C)ccn54)CCO3)n2)cc1 ZINC000257287954 568705957 /nfs/dbraw/zinc/70/59/57/568705957.db2.gz PSEUPHMKJNSFIN-DEOSSOPVSA-N 1 2 429.524 3.990 40 0 IHABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)nc1-c1ccccc1 ZINC000257297208 568710128 /nfs/dbraw/zinc/71/01/28/568710128.db2.gz RGHYKYPATAMMPD-RDPSFJRHSA-N 1 2 437.565 3.961 40 0 IHABLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)nc1-c1ccccc1 ZINC000257297208 568710132 /nfs/dbraw/zinc/71/01/32/568710132.db2.gz RGHYKYPATAMMPD-RDPSFJRHSA-N 1 2 437.565 3.961 40 0 IHABLO CCOc1ccc(COC)cc1C[N@@H+]1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257318442 568719462 /nfs/dbraw/zinc/71/94/62/568719462.db2.gz VNXYSPJDYPQRGG-JOCHJYFZSA-N 1 2 435.528 3.734 40 0 IHABLO CCOc1ccc(COC)cc1C[N@H+]1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257318442 568719466 /nfs/dbraw/zinc/71/94/66/568719466.db2.gz VNXYSPJDYPQRGG-JOCHJYFZSA-N 1 2 435.528 3.734 40 0 IHABLO CCOc1ccc(COC)cc1C[N@@H+]1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257318443 568719472 /nfs/dbraw/zinc/71/94/72/568719472.db2.gz VNXYSPJDYPQRGG-QFIPXVFZSA-N 1 2 435.528 3.734 40 0 IHABLO CCOc1ccc(COC)cc1C[N@H+]1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257318443 568719476 /nfs/dbraw/zinc/71/94/76/568719476.db2.gz VNXYSPJDYPQRGG-QFIPXVFZSA-N 1 2 435.528 3.734 40 0 IHABLO O=C(C[NH+]1Cc2ccccc2C1)N1CCO[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 ZINC000019692342 569227947 /nfs/dbraw/zinc/22/79/47/569227947.db2.gz SCJHSYFZUBHIGS-VWLOTQADSA-N 1 2 431.511 3.727 40 0 IHABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)n1 ZINC000019692995 569228479 /nfs/dbraw/zinc/22/84/79/569228479.db2.gz XBDVQBVLBTUWCZ-HXUWFJFHSA-N 1 2 438.551 3.943 40 0 IHABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)n1 ZINC000019692995 569228480 /nfs/dbraw/zinc/22/84/80/569228480.db2.gz XBDVQBVLBTUWCZ-HXUWFJFHSA-N 1 2 438.551 3.943 40 0 IHABLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703241 569232874 /nfs/dbraw/zinc/23/28/74/569232874.db2.gz YDKFDQIAQOHVRA-HXUWFJFHSA-N 1 2 437.565 3.651 40 0 IHABLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703241 569232876 /nfs/dbraw/zinc/23/28/76/569232876.db2.gz YDKFDQIAQOHVRA-HXUWFJFHSA-N 1 2 437.565 3.651 40 0 IHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1Br ZINC000261364248 569315767 /nfs/dbraw/zinc/31/57/67/569315767.db2.gz KEUZAKNJYVVVTJ-GOSISDBHSA-O 1 2 444.334 3.535 40 0 IHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cc(Cl)ccc1OC ZINC000261363381 569315777 /nfs/dbraw/zinc/31/57/77/569315777.db2.gz HBWQGBAUKPJTFC-HXUWFJFHSA-O 1 2 443.936 3.824 40 0 IHABLO Cc1ncc(Nc2cncc(C3CC[NH+](CC(=O)Nc4c(F)cccc4F)CC3)n2)s1 ZINC000585263363 569584912 /nfs/dbraw/zinc/58/49/12/569584912.db2.gz FTYAAPSFFTUORO-UHFFFAOYSA-N 1 2 444.511 4.081 40 0 IHABLO CCOC(=O)[C@@H]1CCC[N@@H+](c2ccc(NCc3cc4cc(OC)ccc4[nH]c3=O)cc2)C1 ZINC000013563100 132350094 /nfs/dbraw/zinc/35/00/94/132350094.db2.gz QFUTVYJCFSXXBZ-QGZVFWFLSA-N 1 2 435.524 3.928 40 0 IHABLO CCOC(=O)[C@@H]1CCC[N@H+](c2ccc(NCc3cc4cc(OC)ccc4[nH]c3=O)cc2)C1 ZINC000013563100 132350096 /nfs/dbraw/zinc/35/00/96/132350096.db2.gz QFUTVYJCFSXXBZ-QGZVFWFLSA-N 1 2 435.524 3.928 40 0 IHABLO CCCSc1ncc(C[N@@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cn1 ZINC000012242142 520569018 /nfs/dbraw/zinc/56/90/18/520569018.db2.gz QARVYLGZYSJUIY-UHFFFAOYSA-N 1 2 436.541 3.854 40 0 IHABLO CCCSc1ncc(C[N@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cn1 ZINC000012242142 520569028 /nfs/dbraw/zinc/56/90/28/520569028.db2.gz QARVYLGZYSJUIY-UHFFFAOYSA-N 1 2 436.541 3.854 40 0 IHABLO O=c1cc2[nH]cnc(Nc3ccc(F)c(Cl)c3)c-2cc1OCCC[NH+]1CCOCC1 ZINC000022056257 526338210 /nfs/dbraw/zinc/33/82/10/526338210.db2.gz IFMMYZUUCFPEHR-UHFFFAOYSA-N 1 2 432.883 3.973 40 0 in-vitro IHABLO O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035895277 526797113 /nfs/dbraw/zinc/79/71/13/526797113.db2.gz CZLNOORALBDGNW-NWGLXNPWSA-N 1 2 429.303 3.829 40 0 IHABLO O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035895277 526797115 /nfs/dbraw/zinc/79/71/15/526797115.db2.gz CZLNOORALBDGNW-NWGLXNPWSA-N 1 2 429.303 3.829 40 0 IHABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@H+](CC(=O)NC4CCCC4)C3)c(=O)c2c1C ZINC000012184144 526889220 /nfs/dbraw/zinc/88/92/20/526889220.db2.gz GFNHPCXODPWMHA-GOSISDBHSA-N 1 2 430.618 3.894 40 0 IHABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@@H+](CC(=O)NC4CCCC4)C3)c(=O)c2c1C ZINC000012184144 526889221 /nfs/dbraw/zinc/88/92/21/526889221.db2.gz GFNHPCXODPWMHA-GOSISDBHSA-N 1 2 430.618 3.894 40 0 IHABLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C1)CCC2 ZINC000257212166 556702676 /nfs/dbraw/zinc/70/26/76/556702676.db2.gz CCEYPHAKOHRPSC-AREMUKBSSA-N 1 2 443.547 3.918 40 0 IHABLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C1)CCC2 ZINC000257212166 556702677 /nfs/dbraw/zinc/70/26/77/556702677.db2.gz CCEYPHAKOHRPSC-AREMUKBSSA-N 1 2 443.547 3.918 40 0 IHABLO CN1C(=O)CCC[C@]12CN(C(=O)c1ccccc1Cn1cc[nH+]c1)C[C@H]2c1ccc(F)cc1 ZINC000257278559 556714616 /nfs/dbraw/zinc/71/46/16/556714616.db2.gz OCSBETDBYYOWCB-JYFHCDHNSA-N 1 2 446.526 3.691 40 0 IHABLO O=C([C@@H]1CC=CCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019292140 556732016 /nfs/dbraw/zinc/73/20/16/556732016.db2.gz DDNVJNOCWXHDLT-LJQANCHMSA-N 1 2 449.599 3.798 40 0 IHABLO O=C([C@@H]1CC=CCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019292140 556732020 /nfs/dbraw/zinc/73/20/20/556732020.db2.gz DDNVJNOCWXHDLT-LJQANCHMSA-N 1 2 449.599 3.798 40 0 IHABLO O=C(c1ccc(=O)[nH]n1)N1CCC[C@H](c2[nH+]c(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019294209 556734221 /nfs/dbraw/zinc/73/42/21/556734221.db2.gz GQYHNYXBDWGCKI-ZDUSSCGKSA-N 1 2 438.488 3.794 40 0 IHABLO O=C(c1cccc2ccccc21)[C@@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019366037 556746095 /nfs/dbraw/zinc/74/60/95/556746095.db2.gz NYOGKFRLXNPOAH-CLJLJLNGSA-N 1 2 430.548 3.797 40 0 IHABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C3CCCCC3)C3CCCC3)cc2c1 ZINC000000927774 556754086 /nfs/dbraw/zinc/75/40/86/556754086.db2.gz YIKCEIKOCWPHQR-UHFFFAOYSA-N 1 2 436.560 3.973 40 0 IHABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C3CCCCC3)C3CCCC3)cc2c1 ZINC000000927774 556754089 /nfs/dbraw/zinc/75/40/89/556754089.db2.gz YIKCEIKOCWPHQR-UHFFFAOYSA-N 1 2 436.560 3.973 40 0 IHABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4cnccn4)C3)c2)cc1 ZINC000019570358 556810383 /nfs/dbraw/zinc/81/03/83/556810383.db2.gz RTGHKAONFQHFBW-SFHVURJKSA-N 1 2 431.496 3.951 40 0 IHABLO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000019591903 556827870 /nfs/dbraw/zinc/82/78/70/556827870.db2.gz UNLBKYHIUIXPMO-VWLOTQADSA-N 1 2 435.955 3.962 40 0 IHABLO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000019591903 556827874 /nfs/dbraw/zinc/82/78/74/556827874.db2.gz UNLBKYHIUIXPMO-VWLOTQADSA-N 1 2 435.955 3.962 40 0 IHABLO Cc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000006321170 556832880 /nfs/dbraw/zinc/83/28/80/556832880.db2.gz CJRDCBBBSXUQEK-QHCPKHFHSA-N 1 2 428.540 3.755 40 0 IHABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)cc12 ZINC000006405755 556834275 /nfs/dbraw/zinc/83/42/75/556834275.db2.gz MMMDDKWUUVCDEK-HSZRJFAPSA-N 1 2 446.530 3.894 40 0 IHABLO COc1ccccc1OCC(=O)N1CCC(Cc2cc(N3CCCCC3)nc(C)[nH+]2)CC1 ZINC000019758381 556902056 /nfs/dbraw/zinc/90/20/56/556902056.db2.gz RBNRHQLPEBKOOU-UHFFFAOYSA-N 1 2 438.572 3.644 40 0 IHABLO CC(C)CNC(=O)c1cc([C@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)nc2ccccc21 ZINC000019762421 556906869 /nfs/dbraw/zinc/90/68/69/556906869.db2.gz DKDBORBQNAEKEY-XMMPIXPASA-N 1 2 447.583 3.655 40 0 IHABLO CC(C)CNC(=O)c1cc([C@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)nc2ccccc21 ZINC000019762421 556906872 /nfs/dbraw/zinc/90/68/72/556906872.db2.gz DKDBORBQNAEKEY-XMMPIXPASA-N 1 2 447.583 3.655 40 0 IHABLO COc1ccc(F)c(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3nccs3)CC2)c1 ZINC000072340619 556912525 /nfs/dbraw/zinc/91/25/25/556912525.db2.gz AJHHHMSDRLJOPF-NRFANRHFSA-N 1 2 431.508 3.834 40 0 IHABLO Cc1cc2c(cc1C[N@@H+]1CCc3onc(Nc4cc(F)cc(F)c4)c3C1)n(C)c(=O)n2C ZINC000072352758 556925093 /nfs/dbraw/zinc/92/50/93/556925093.db2.gz XOQFPBHHLPOMKN-UHFFFAOYSA-N 1 2 439.466 3.754 40 0 IHABLO Cc1cc2c(cc1C[N@H+]1CCc3onc(Nc4cc(F)cc(F)c4)c3C1)n(C)c(=O)n2C ZINC000072352758 556925096 /nfs/dbraw/zinc/92/50/96/556925096.db2.gz XOQFPBHHLPOMKN-UHFFFAOYSA-N 1 2 439.466 3.754 40 0 IHABLO O=C(C[N@H+]1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1)Nc1nccs1 ZINC000072371254 556937752 /nfs/dbraw/zinc/93/77/52/556937752.db2.gz IAWJJBFVDIVFOR-AWEZNQCLSA-N 1 2 431.949 3.569 40 0 IHABLO O=C(C[N@@H+]1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1)Nc1nccs1 ZINC000072371254 556937755 /nfs/dbraw/zinc/93/77/55/556937755.db2.gz IAWJJBFVDIVFOR-AWEZNQCLSA-N 1 2 431.949 3.569 40 0 IHABLO O=C(C[N@H+]1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1)Nc1nccs1 ZINC000072371254 556937758 /nfs/dbraw/zinc/93/77/58/556937758.db2.gz IAWJJBFVDIVFOR-AWEZNQCLSA-N 1 2 431.949 3.569 40 0 IHABLO O=C(C[N@@H+]1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1)Nc1nccs1 ZINC000072371254 556937761 /nfs/dbraw/zinc/93/77/61/556937761.db2.gz IAWJJBFVDIVFOR-AWEZNQCLSA-N 1 2 431.949 3.569 40 0 IHABLO CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)C[N@@H+]3CCc4ccccc4C3)n2)s1 ZINC000072375331 556951028 /nfs/dbraw/zinc/95/10/28/556951028.db2.gz NTEPODNPXJJDCW-FQEVSTJZSA-N 1 2 448.596 3.961 40 0 IHABLO CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)C[N@H+]3CCc4ccccc4C3)n2)s1 ZINC000072375331 556951032 /nfs/dbraw/zinc/95/10/32/556951032.db2.gz NTEPODNPXJJDCW-FQEVSTJZSA-N 1 2 448.596 3.961 40 0 IHABLO CC(=O)NCC(=O)N1CCC[C@H](c2[nH+]c(Nc3ccccc3F)n3c(C)c(C)sc23)C1 ZINC000072390990 556961265 /nfs/dbraw/zinc/96/12/65/556961265.db2.gz JBWVRDSFCAROPN-INIZCTEOSA-N 1 2 443.548 3.737 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000001224713 557120458 /nfs/dbraw/zinc/12/04/58/557120458.db2.gz KMMHPQZWBZFJDY-HXOBKFHXSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000001224713 557120459 /nfs/dbraw/zinc/12/04/59/557120459.db2.gz KMMHPQZWBZFJDY-HXOBKFHXSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000001224703 557120477 /nfs/dbraw/zinc/12/04/77/557120477.db2.gz CRTGYUWGNJSQHR-WZONZLPQSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000001224703 557120479 /nfs/dbraw/zinc/12/04/79/557120479.db2.gz CRTGYUWGNJSQHR-WZONZLPQSA-N 1 2 428.540 3.693 40 0 IHABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C(c3ccccc3)c3ccccc3)CC[N@@H+]2C)c1 ZINC000585261774 557196729 /nfs/dbraw/zinc/19/67/29/557196729.db2.gz JLUNGAAHNGKQSW-DEOSSOPVSA-N 1 2 427.548 3.693 40 0 IHABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C(c3ccccc3)c3ccccc3)CC[N@H+]2C)c1 ZINC000585261774 557196731 /nfs/dbraw/zinc/19/67/31/557196731.db2.gz JLUNGAAHNGKQSW-DEOSSOPVSA-N 1 2 427.548 3.693 40 0 IHABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](Cc5ccccc5C)CC4)[nH]n3c(=O)c2C1 ZINC000100243059 557255005 /nfs/dbraw/zinc/25/50/05/557255005.db2.gz CPSJUDVDOCTKAP-UHFFFAOYSA-N 1 2 447.583 3.808 40 0 IHABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C(C)C ZINC000223180084 557442452 /nfs/dbraw/zinc/44/24/52/557442452.db2.gz JNJLZLDDQLLJLD-GOTSBHOMSA-N 1 2 441.645 3.776 40 0 IHABLO COc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015675993 560094682 /nfs/dbraw/zinc/09/46/82/560094682.db2.gz XXQHGCQXQJSSQR-FQEVSTJZSA-N 1 2 446.467 3.808 40 0 biogenic,in-vitro IHABLO COc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015675993 560094683 /nfs/dbraw/zinc/09/46/83/560094683.db2.gz XXQHGCQXQJSSQR-FQEVSTJZSA-N 1 2 446.467 3.808 40 0 biogenic,in-vitro IHABLO O=C(C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1nc2ccc(F)cc2s1 ZINC000257211615 568670291 /nfs/dbraw/zinc/67/02/91/568670291.db2.gz BZNKGEOZZVYVSK-REWPJTCUSA-N 1 2 441.528 3.824 40 0 IHABLO O=C(C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1nc2ccc(F)cc2s1 ZINC000257211615 568670293 /nfs/dbraw/zinc/67/02/93/568670293.db2.gz BZNKGEOZZVYVSK-REWPJTCUSA-N 1 2 441.528 3.824 40 0 IHABLO Nc1ccc(-c2cccc(C(=O)N3CCOC[C@H](Cc4cnc5ccccc5c4)C3)n2)c[nH+]1 ZINC000257212147 568670846 /nfs/dbraw/zinc/67/08/46/568670846.db2.gz CCCUVLSUNRXOHK-LJQANCHMSA-N 1 2 439.519 3.605 40 0 IHABLO O=C(NC1CCCC1)c1cc([C@H]2CCCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)n[nH]1 ZINC000257245440 568686530 /nfs/dbraw/zinc/68/65/30/568686530.db2.gz IPNXVXCPTAYKTB-HSZRJFAPSA-N 1 2 446.555 3.694 40 0 IHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@H]1Oc1cccc(F)c1 ZINC000257251359 568689451 /nfs/dbraw/zinc/68/94/51/568689451.db2.gz JQKUJZULFJFVDL-RXVVDRJESA-N 1 2 449.935 3.932 40 0 IHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@H]1Oc1cccc(F)c1 ZINC000257251359 568689452 /nfs/dbraw/zinc/68/94/52/568689452.db2.gz JQKUJZULFJFVDL-RXVVDRJESA-N 1 2 449.935 3.932 40 0 IHABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CO2 ZINC000257260041 568693229 /nfs/dbraw/zinc/69/32/29/568693229.db2.gz LBCOPIRWZVQFKD-QHCPKHFHSA-N 1 2 447.539 3.725 40 0 IHABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CO2 ZINC000257260041 568693230 /nfs/dbraw/zinc/69/32/30/568693230.db2.gz LBCOPIRWZVQFKD-QHCPKHFHSA-N 1 2 447.539 3.725 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCO[C@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257268427 568697042 /nfs/dbraw/zinc/69/70/42/568697042.db2.gz MLQPRLGHFPOHPN-DEOSSOPVSA-N 1 2 428.540 3.670 40 0 IHABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCO[C@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257268427 568697044 /nfs/dbraw/zinc/69/70/44/568697044.db2.gz MLQPRLGHFPOHPN-DEOSSOPVSA-N 1 2 428.540 3.670 40 0 IHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CC[C@@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 ZINC000257269581 568697153 /nfs/dbraw/zinc/69/71/53/568697153.db2.gz MQNZBVGCFKIIOZ-HSZRJFAPSA-N 1 2 436.899 3.826 40 0 IHABLO Cc1c(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cnn1C ZINC000257295789 568709194 /nfs/dbraw/zinc/70/91/94/568709194.db2.gz QZWGGJKNUXSHCD-OAQYLSRUSA-N 1 2 449.477 3.665 40 0 IHABLO Cc1c(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cnn1C ZINC000257295789 568709197 /nfs/dbraw/zinc/70/91/97/568709197.db2.gz QZWGGJKNUXSHCD-OAQYLSRUSA-N 1 2 449.477 3.665 40 0 IHABLO CNc1nc([C@@H]2CCN(C(=O)c3ccccc3-c3ccccc3)C2)nc2c1C[N@H+](C)CC2 ZINC000257296671 568709862 /nfs/dbraw/zinc/70/98/62/568709862.db2.gz RDVNIVWJCGNVDA-LJQANCHMSA-N 1 2 427.552 3.803 40 0 IHABLO CNc1nc([C@@H]2CCN(C(=O)c3ccccc3-c3ccccc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257296671 568709863 /nfs/dbraw/zinc/70/98/63/568709863.db2.gz RDVNIVWJCGNVDA-LJQANCHMSA-N 1 2 427.552 3.803 40 0 IHABLO Nc1ccc(-c2cccc(C(=O)N3CCOC[C@@H](Cc4cccc5cccnc54)C3)n2)c[nH+]1 ZINC000257328611 568723668 /nfs/dbraw/zinc/72/36/68/568723668.db2.gz XGKHFSWSRLXJNG-SFHVURJKSA-N 1 2 439.519 3.605 40 0 IHABLO CC(C)n1cc(C[N@@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306136175 568769133 /nfs/dbraw/zinc/76/91/33/568769133.db2.gz PLOQQYSXYXHXSG-DEOSSOPVSA-N 1 2 447.631 3.981 40 0 IHABLO CC(C)n1cc(C[N@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306136175 568769136 /nfs/dbraw/zinc/76/91/36/568769136.db2.gz PLOQQYSXYXHXSG-DEOSSOPVSA-N 1 2 447.631 3.981 40 0 IHABLO CC(C)n1cc(CN2CC[N@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306136175 568769138 /nfs/dbraw/zinc/76/91/38/568769138.db2.gz PLOQQYSXYXHXSG-DEOSSOPVSA-N 1 2 447.631 3.981 40 0 IHABLO CC(C)n1cc(CN2CC[N@@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306136175 568769140 /nfs/dbraw/zinc/76/91/40/568769140.db2.gz PLOQQYSXYXHXSG-DEOSSOPVSA-N 1 2 447.631 3.981 40 0 IHABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)CC(C)C)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306143911 568773480 /nfs/dbraw/zinc/77/34/80/568773480.db2.gz YQPAWPGVGKSCJE-CVDCTZTESA-N 1 2 443.617 3.620 40 0 IHABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)CC(C)C)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306143913 568773742 /nfs/dbraw/zinc/77/37/42/568773742.db2.gz YQPAWPGVGKSCJE-XXBNENTESA-N 1 2 443.617 3.620 40 0 IHABLO Cc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328981150 568808444 /nfs/dbraw/zinc/80/84/44/568808444.db2.gz GRFSGIGDNIFJBQ-HNNXBMFYSA-N 1 2 432.446 3.599 40 0 IHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000231644822 569186127 /nfs/dbraw/zinc/18/61/27/569186127.db2.gz ASKYGVKMRJNGRU-BILGYAHESA-N 1 2 434.536 3.856 40 0 IHABLO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@H+](Cc3cnc(C)s3)CCO2)cc1 ZINC000019693037 569228602 /nfs/dbraw/zinc/22/86/02/569228602.db2.gz FPLYEVWAUBYHCT-HXUWFJFHSA-N 1 2 425.558 3.557 40 0 IHABLO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@@H+](Cc3cnc(C)s3)CCO2)cc1 ZINC000019693037 569228603 /nfs/dbraw/zinc/22/86/03/569228603.db2.gz FPLYEVWAUBYHCT-HXUWFJFHSA-N 1 2 425.558 3.557 40 0 IHABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000019703187 569232822 /nfs/dbraw/zinc/23/28/22/569232822.db2.gz JWOQCZNCGIIUEP-INIZCTEOSA-N 1 2 427.574 3.592 40 0 IHABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000019703187 569232824 /nfs/dbraw/zinc/23/28/24/569232824.db2.gz JWOQCZNCGIIUEP-INIZCTEOSA-N 1 2 427.574 3.592 40 0 IHABLO O=C(NCCO)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2cccc3cccnc32)CCO1 ZINC000019697639 569326863 /nfs/dbraw/zinc/32/68/63/569326863.db2.gz HRHQCIPMSBHADE-HXUWFJFHSA-N 1 2 447.560 3.745 40 0 IHABLO O=C(NCCO)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2cccc3cccnc32)CCO1 ZINC000019697639 569326866 /nfs/dbraw/zinc/32/68/66/569326866.db2.gz HRHQCIPMSBHADE-HXUWFJFHSA-N 1 2 447.560 3.745 40 0 IHABLO CNC(=O)c1cc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)nc2ccccc21 ZINC000019762371 569328850 /nfs/dbraw/zinc/32/88/50/569328850.db2.gz BKCNGFRPVPRMDZ-QHCPKHFHSA-N 1 2 427.508 3.558 40 0 IHABLO CNC(=O)c1cc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)nc2ccccc21 ZINC000019762371 569328851 /nfs/dbraw/zinc/32/88/51/569328851.db2.gz BKCNGFRPVPRMDZ-QHCPKHFHSA-N 1 2 427.508 3.558 40 0 IHABLO CC(C)[C@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329072561 569583356 /nfs/dbraw/zinc/58/33/56/569583356.db2.gz ZZRZCPIMNRMQRO-IBGZPJMESA-N 1 2 442.361 4.342 40 0 IHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000012496703 521304016 /nfs/dbraw/zinc/30/40/16/521304016.db2.gz OIKYCLFXMWKDDE-PDFGSZSQSA-N 1 2 438.499 3.686 40 0 IHABLO Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)C[N@@H+](Cc1cnn(C3CCCCC3)c1)C2 ZINC000072345614 527332922 /nfs/dbraw/zinc/33/29/22/527332922.db2.gz GAAGBVWJDOZPGR-HXUWFJFHSA-N 1 2 436.535 3.999 40 0 IHABLO Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)C[N@H+](Cc1cnn(C3CCCCC3)c1)C2 ZINC000072345614 527332927 /nfs/dbraw/zinc/33/29/27/527332927.db2.gz GAAGBVWJDOZPGR-HXUWFJFHSA-N 1 2 436.535 3.999 40 0 IHABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013504889 536594782 /nfs/dbraw/zinc/59/47/82/536594782.db2.gz ZFEYHNBNAPXNDM-DEOSSOPVSA-N 1 2 434.588 3.866 40 0 IHABLO CN(c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000030849493 556508459 /nfs/dbraw/zinc/50/84/59/556508459.db2.gz XQQWCEWHCZDMAT-UHFFFAOYSA-N 1 2 446.532 3.627 40 0 IHABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2)cc1 ZINC000030871124 556513758 /nfs/dbraw/zinc/51/37/58/556513758.db2.gz KBBASLLXPZWRFA-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC2(C[C@@H](Oc3ccc(F)cc3)CO2)CC1 ZINC000257273331 556714165 /nfs/dbraw/zinc/71/41/65/556714165.db2.gz NGDQBHSWMDGWND-HSZRJFAPSA-N 1 2 435.499 3.913 40 0 IHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@@]2(CN(c3ccccc3)C(=O)O2)CC1 ZINC000257285772 556715657 /nfs/dbraw/zinc/71/56/57/556715657.db2.gz PIUFXHXNWAMTPH-SANMLTNESA-N 1 2 449.551 3.541 40 0 IHABLO O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCC[N@@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019343460 556741592 /nfs/dbraw/zinc/74/15/92/556741592.db2.gz LRMOPCKHYDECFO-FQEVSTJZSA-N 1 2 438.528 3.506 40 0 IHABLO O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCC[N@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019343460 556741595 /nfs/dbraw/zinc/74/15/95/556741595.db2.gz LRMOPCKHYDECFO-FQEVSTJZSA-N 1 2 438.528 3.506 40 0 IHABLO CC(C)(C)c1ccc(C(=O)[C@@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000019365027 556746062 /nfs/dbraw/zinc/74/60/62/556746062.db2.gz LLWAEHIULOYSDC-LOSJGSFVSA-N 1 2 436.596 3.941 40 0 IHABLO O=C(C[NH+]1Cc2ccccc2C1)N1CCC[C@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019376447 556752198 /nfs/dbraw/zinc/75/21/98/556752198.db2.gz ISASBZOITLHRPC-NRFANRHFSA-N 1 2 425.492 3.964 40 0 IHABLO Cc1cccc2cc(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c12 ZINC000000926393 556753167 /nfs/dbraw/zinc/75/31/67/556753167.db2.gz GKUQGTGAOFCZFJ-UHFFFAOYSA-N 1 2 428.540 3.816 40 0 IHABLO Cc1cccc2cc(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c12 ZINC000000926393 556753170 /nfs/dbraw/zinc/75/31/70/556753170.db2.gz GKUQGTGAOFCZFJ-UHFFFAOYSA-N 1 2 428.540 3.816 40 0 IHABLO CCCN1CC[N@H+](Cc2nccn2CC)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503072 556774350 /nfs/dbraw/zinc/77/43/50/556774350.db2.gz UCRIZNSXDABHEY-XMMPIXPASA-N 1 2 431.584 3.878 40 0 IHABLO CCCN1CC[N@@H+](Cc2nccn2CC)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503072 556774351 /nfs/dbraw/zinc/77/43/51/556774351.db2.gz UCRIZNSXDABHEY-XMMPIXPASA-N 1 2 431.584 3.878 40 0 IHABLO CCCN1CC[N@H+](Cc2nccn2CC)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503364 556774937 /nfs/dbraw/zinc/77/49/37/556774937.db2.gz FUVJGGMSQIIQDW-QHCPKHFHSA-N 1 2 431.584 3.878 40 0 IHABLO CCCN1CC[N@@H+](Cc2nccn2CC)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503364 556774940 /nfs/dbraw/zinc/77/49/40/556774940.db2.gz FUVJGGMSQIIQDW-QHCPKHFHSA-N 1 2 431.584 3.878 40 0 IHABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2CCCc3ccccc32)cc1 ZINC000001346585 556780051 /nfs/dbraw/zinc/78/00/51/556780051.db2.gz JJOFVMFTEIJWJI-UHFFFAOYSA-N 1 2 431.521 3.896 40 0 IHABLO CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC000019528780 556789454 /nfs/dbraw/zinc/78/94/54/556789454.db2.gz NNUAPUPGLBJBQZ-MHECFPHRSA-N 1 2 436.581 3.770 40 0 IHABLO CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000019591902 556827966 /nfs/dbraw/zinc/82/79/66/556827966.db2.gz UNLBKYHIUIXPMO-RUZDIDTESA-N 1 2 435.955 3.962 40 0 IHABLO CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000019591902 556827967 /nfs/dbraw/zinc/82/79/67/556827967.db2.gz UNLBKYHIUIXPMO-RUZDIDTESA-N 1 2 435.955 3.962 40 0 IHABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)c(=O)[nH]c2c1C ZINC000006442356 556835604 /nfs/dbraw/zinc/83/56/04/556835604.db2.gz FIYDYXZSGBURPJ-QFIPXVFZSA-N 1 2 432.503 3.504 40 0 IHABLO COc1cccc(N(C)CCC(=O)N2CCC(c3ccc(-c4ccc(N)[nH+]c4)cn3)CC2)c1 ZINC000019687833 556842425 /nfs/dbraw/zinc/84/24/25/556842425.db2.gz IOTYMJIKFGTEAI-UHFFFAOYSA-N 1 2 445.567 3.967 40 0 IHABLO CN(C)c1ncc(-c2ccc(N)[nH+]c2)c(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 ZINC000019694877 556851022 /nfs/dbraw/zinc/85/10/22/556851022.db2.gz JZQHJLIQDIGYGO-UHFFFAOYSA-N 1 2 448.546 3.665 40 0 IHABLO Cc1c2ccccc2oc1C[N@@H+]1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701030 556860895 /nfs/dbraw/zinc/86/08/95/556860895.db2.gz WBHCZDYKHSRXIY-UHFFFAOYSA-N 1 2 427.508 3.602 40 0 IHABLO Cc1c2ccccc2oc1C[N@H+]1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701030 556860896 /nfs/dbraw/zinc/86/08/96/556860896.db2.gz WBHCZDYKHSRXIY-UHFFFAOYSA-N 1 2 427.508 3.602 40 0 IHABLO Cc1nc(C2CC[NH+](Cc3ncc[nH]3)CC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019739310 556877200 /nfs/dbraw/zinc/87/72/00/556877200.db2.gz MFTWHLAOSJITNQ-UHFFFAOYSA-N 1 2 434.519 3.506 40 0 IHABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 ZINC000019819983 556923457 /nfs/dbraw/zinc/92/34/57/556923457.db2.gz SXQIIOCSOHTKMR-GOSISDBHSA-N 1 2 444.495 3.516 40 0 IHABLO CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000072352609 556924814 /nfs/dbraw/zinc/92/48/14/556924814.db2.gz LHQGBCLPTJKSEE-LJQANCHMSA-N 1 2 448.592 3.985 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2cn(C)c3ccc(F)cc23)CCO1 ZINC000072370229 556934082 /nfs/dbraw/zinc/93/40/82/556934082.db2.gz BSFGNHQJINHFAU-IBGZPJMESA-N 1 2 438.528 3.860 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2cn(C)c3ccc(F)cc23)CCO1 ZINC000072370229 556934086 /nfs/dbraw/zinc/93/40/86/556934086.db2.gz BSFGNHQJINHFAU-IBGZPJMESA-N 1 2 438.528 3.860 40 0 IHABLO Cc1ccc2cc(C[NH2+]c3ccc(N4CCN(c5ncccn5)CC4)cc3)c(=O)[nH]c2c1C ZINC000072396134 556968949 /nfs/dbraw/zinc/96/89/49/556968949.db2.gz SOLJLLAKBPMUSJ-UHFFFAOYSA-N 1 2 440.551 3.874 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[NH+]3CCC(C)CC3)cc2c1 ZINC000006149206 557146453 /nfs/dbraw/zinc/14/64/53/557146453.db2.gz XCAVRGRPYAWQSC-OAQYLSRUSA-N 1 2 438.576 3.880 40 0 IHABLO C[C@@]1(O)CC[N@H+](Cc2nccs2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383293 557237803 /nfs/dbraw/zinc/23/78/03/557237803.db2.gz SWTVRZRVGSYMJT-QNWVGRARSA-N 1 2 425.529 3.779 40 0 biogenic,in-vitro IHABLO C[C@@]1(O)CC[N@@H+](Cc2nccs2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383293 557237805 /nfs/dbraw/zinc/23/78/05/557237805.db2.gz SWTVRZRVGSYMJT-QNWVGRARSA-N 1 2 425.529 3.779 40 0 biogenic,in-vitro IHABLO CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670421 557256620 /nfs/dbraw/zinc/25/66/20/557256620.db2.gz OGUBPMJTJBZRDL-VQTJNVASSA-N 1 2 433.000 3.867 40 0 IHABLO O=C(CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1nccs1 ZINC000023352783 557313756 /nfs/dbraw/zinc/31/37/56/557313756.db2.gz JXKFPTJRFJIVEN-UHFFFAOYSA-N 1 2 428.508 3.767 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500545 557324070 /nfs/dbraw/zinc/32/40/70/557324070.db2.gz YPVNAAHAVQEILO-QFIPXVFZSA-N 1 2 438.576 3.520 40 0 IHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500545 557324072 /nfs/dbraw/zinc/32/40/72/557324072.db2.gz YPVNAAHAVQEILO-QFIPXVFZSA-N 1 2 438.576 3.520 40 0 IHABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501021 557324163 /nfs/dbraw/zinc/32/41/63/557324163.db2.gz FTAAZFBUVHUJJX-NRFANRHFSA-N 1 2 440.592 3.694 40 0 IHABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501021 557324169 /nfs/dbraw/zinc/32/41/69/557324169.db2.gz FTAAZFBUVHUJJX-NRFANRHFSA-N 1 2 440.592 3.694 40 0 IHABLO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(NC(=O)c3ccccc3Br)CC2)c1 ZINC000013562883 557353230 /nfs/dbraw/zinc/35/32/30/557353230.db2.gz OLYVLQXKDVFZHH-UHFFFAOYSA-N 1 2 444.373 3.899 40 0 IHABLO COc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)cc1OC ZINC000072351670 557386557 /nfs/dbraw/zinc/38/65/57/557386557.db2.gz CGAYCQBHRZTEOY-QHCPKHFHSA-N 1 2 431.536 3.651 40 0 IHABLO COc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)cc1OC ZINC000072351670 557386560 /nfs/dbraw/zinc/38/65/60/557386560.db2.gz CGAYCQBHRZTEOY-QHCPKHFHSA-N 1 2 431.536 3.651 40 0 IHABLO COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223063854 557424284 /nfs/dbraw/zinc/42/42/84/557424284.db2.gz GPYYAEXIBBRPLK-XZOQPEGZSA-N 1 2 435.597 3.947 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1CCC[NH+]1CCOCC1 ZINC000223205949 557445947 /nfs/dbraw/zinc/44/59/47/557445947.db2.gz YRPHDKCIEBBUQP-BJKOFHAPSA-N 1 2 447.608 3.567 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000019220765 557497851 /nfs/dbraw/zinc/49/78/51/557497851.db2.gz UZTPYCDVGUESIK-QFIPXVFZSA-N 1 2 428.540 3.726 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000019220765 557497854 /nfs/dbraw/zinc/49/78/54/557497854.db2.gz UZTPYCDVGUESIK-QFIPXVFZSA-N 1 2 428.540 3.726 40 0 IHABLO C[NH+]1CCN(C(=O)CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)CC1 ZINC000058960043 557813614 /nfs/dbraw/zinc/81/36/14/557813614.db2.gz IKCHBXSMTSFYAA-UHFFFAOYSA-N 1 2 430.883 3.682 40 0 IHABLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4ccc(F)cn4)n3)C2)cc1CO ZINC000257206985 568668282 /nfs/dbraw/zinc/66/82/82/568668282.db2.gz BFSMLYHGCFEKAX-JOCHJYFZSA-N 1 2 438.503 3.824 40 0 IHABLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(Nc4ccc(F)cn4)n3)C2)cc1CO ZINC000257206985 568668286 /nfs/dbraw/zinc/66/82/86/568668286.db2.gz BFSMLYHGCFEKAX-JOCHJYFZSA-N 1 2 438.503 3.824 40 0 IHABLO Cc1cnc(NC(=O)CN2CCO[C@H](c3cc(Nc4[nH+]cccc4C)cc(C)n3)C2)s1 ZINC000257209620 568669304 /nfs/dbraw/zinc/66/93/04/568669304.db2.gz BREGGWBZZBQMTN-IBGZPJMESA-N 1 2 438.557 3.614 40 0 IHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)c(C)n1 ZINC000257210033 568669771 /nfs/dbraw/zinc/66/97/71/568669771.db2.gz BSVMZGIGODTAMR-QFIPXVFZSA-N 1 2 429.952 3.783 40 0 IHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)c(C)n1 ZINC000257210033 568669772 /nfs/dbraw/zinc/66/97/72/568669772.db2.gz BSVMZGIGODTAMR-QFIPXVFZSA-N 1 2 429.952 3.783 40 0 IHABLO Cc1nc2cc([C@@H]3CCC[N@@H+]3Cc3ccncc3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257240181 568683658 /nfs/dbraw/zinc/68/36/58/568683658.db2.gz HSLQYGSRIZUNHN-QHCPKHFHSA-N 1 2 432.572 3.537 40 0 IHABLO Cc1nc2cc([C@@H]3CCC[N@H+]3Cc3ccncc3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257240181 568683663 /nfs/dbraw/zinc/68/36/63/568683663.db2.gz HSLQYGSRIZUNHN-QHCPKHFHSA-N 1 2 432.572 3.537 40 0 IHABLO CCc1nnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)COc4ccccc4)CCO3)c2)s1 ZINC000257242487 568684949 /nfs/dbraw/zinc/68/49/49/568684949.db2.gz ICTLRJVZKRCDIE-IBGZPJMESA-N 1 2 439.541 3.526 40 0 IHABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@H+](Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000257251202 568689030 /nfs/dbraw/zinc/68/90/30/568689030.db2.gz JPVOGJMZGBUODT-FQEVSTJZSA-N 1 2 442.865 3.884 40 0 IHABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000257251202 568689031 /nfs/dbraw/zinc/68/90/31/568689031.db2.gz JPVOGJMZGBUODT-FQEVSTJZSA-N 1 2 442.865 3.884 40 0 IHABLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3cc(CCOc4cccc(F)c4)n(C)n3)C2)c1C ZINC000257255180 568690893 /nfs/dbraw/zinc/69/08/93/568690893.db2.gz KGMFJIHMSWLLAQ-XMMPIXPASA-N 1 2 441.551 3.587 40 0 IHABLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3cc(CCOc4cccc(F)c4)n(C)n3)C2)c1C ZINC000257255180 568690895 /nfs/dbraw/zinc/69/08/95/568690895.db2.gz KGMFJIHMSWLLAQ-XMMPIXPASA-N 1 2 441.551 3.587 40 0 IHABLO Cc1cccnc1C[N@@H+]1CCC[C@H]1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1 ZINC000257278698 568701624 /nfs/dbraw/zinc/70/16/24/568701624.db2.gz ODGVQBOBYDFWNY-DEOSSOPVSA-N 1 2 446.599 3.942 40 0 IHABLO Cc1cccnc1C[N@H+]1CCC[C@H]1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1 ZINC000257278698 568701626 /nfs/dbraw/zinc/70/16/26/568701626.db2.gz ODGVQBOBYDFWNY-DEOSSOPVSA-N 1 2 446.599 3.942 40 0 IHABLO COc1cccc(C(=O)N2CCO[C@@H](c3cc(Nc4nnc(C)s4)cc(C)[nH+]3)C2)c1 ZINC000257321789 568720770 /nfs/dbraw/zinc/72/07/70/568720770.db2.gz WDGAVQBZVJEEBU-LJQANCHMSA-N 1 2 425.514 3.516 40 0 IHABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)c1 ZINC000257330693 568724680 /nfs/dbraw/zinc/72/46/80/568724680.db2.gz XPMVPKOBPRHPBS-QFIPXVFZSA-N 1 2 437.544 3.596 40 0 IHABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)c1 ZINC000257330693 568724681 /nfs/dbraw/zinc/72/46/81/568724681.db2.gz XPMVPKOBPRHPBS-QFIPXVFZSA-N 1 2 437.544 3.596 40 0 IHABLO CC(=O)N1CC[C@H](c2nc(C)ncc2-c2cc[nH+]c(NCc3nc4ccccc4n3C)c2)C1 ZINC000257334389 568726290 /nfs/dbraw/zinc/72/62/90/568726290.db2.gz YFRLYHBBQLCHJP-IBGZPJMESA-N 1 2 441.539 3.682 40 0 IHABLO CCCOc1ccccc1[C@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364995 568733422 /nfs/dbraw/zinc/73/34/22/568733422.db2.gz PFFLHFXVLJGTPW-QFIPXVFZSA-O 1 2 437.545 3.951 40 0 IHABLO Cc1[nH+]c2c(n1C(C)C)CN(C(=O)NC1CCCC1)CC21CCN(c2ncccn2)CC1 ZINC000306143855 568773395 /nfs/dbraw/zinc/77/33/95/568773395.db2.gz YOPAKBPUEMIULQ-UHFFFAOYSA-N 1 2 437.592 3.568 40 0 IHABLO Cc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCCO)n2)cc1 ZINC000329011482 568809256 /nfs/dbraw/zinc/80/92/56/568809256.db2.gz MFEOKEHJLABRPS-UHFFFAOYSA-N 1 2 432.446 3.601 40 0 IHABLO Cc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(N[C@@H](C)CO)n2)cc1 ZINC000329056723 568810529 /nfs/dbraw/zinc/81/05/29/568810529.db2.gz VUAZZICCVGCXHM-HNNXBMFYSA-N 1 2 432.446 3.599 40 0 IHABLO CC(C)COc1ccccc1C[N@@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692946 569228400 /nfs/dbraw/zinc/22/84/00/569228400.db2.gz MHEWCFQSVWIBSI-HSZRJFAPSA-N 1 2 448.571 3.608 40 0 IHABLO CC(C)COc1ccccc1C[N@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692946 569228401 /nfs/dbraw/zinc/22/84/01/569228401.db2.gz MHEWCFQSVWIBSI-HSZRJFAPSA-N 1 2 448.571 3.608 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2cc3cccc(OC)c3o2)CCO1 ZINC000019703253 569232814 /nfs/dbraw/zinc/23/28/14/569232814.db2.gz YUXNRODRUHABDU-SFHVURJKSA-N 1 2 437.521 3.984 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2cc3cccc(OC)c3o2)CCO1 ZINC000019703253 569232816 /nfs/dbraw/zinc/23/28/16/569232816.db2.gz YUXNRODRUHABDU-SFHVURJKSA-N 1 2 437.521 3.984 40 0 IHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000261363284 569315635 /nfs/dbraw/zinc/31/56/35/569315635.db2.gz QSGRWCSAYMNBAI-GOSISDBHSA-O 1 2 431.925 3.979 40 0 IHABLO CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)cc(Cl)c1O ZINC000261362138 569315638 /nfs/dbraw/zinc/31/56/38/569315638.db2.gz GHINUTRRRWLAJS-SFHVURJKSA-O 1 2 431.925 3.979 40 0 IHABLO O=C(NCCO)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000019696787 569326763 /nfs/dbraw/zinc/32/67/63/569326763.db2.gz BWEXXQGHRNWZRU-NRFANRHFSA-N 1 2 447.560 3.745 40 0 IHABLO O=C(NCCO)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000019696787 569326765 /nfs/dbraw/zinc/32/67/65/569326765.db2.gz BWEXXQGHRNWZRU-NRFANRHFSA-N 1 2 447.560 3.745 40 0 IHABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CC[N@@H+]21 ZINC000253404168 291365789 /nfs/dbraw/zinc/36/57/89/291365789.db2.gz QVGZEAPRJHXBGK-FQEVSTJZSA-N 1 2 444.938 3.932 40 0 biogenic,in-vitro IHABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CC[N@H+]21 ZINC000253404168 291365790 /nfs/dbraw/zinc/36/57/90/291365790.db2.gz QVGZEAPRJHXBGK-FQEVSTJZSA-N 1 2 444.938 3.932 40 0 biogenic,in-vitro IHABLO CCNc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000020801850 520358138 /nfs/dbraw/zinc/35/81/38/520358138.db2.gz IMFGZQKIWJKGRI-IBGZPJMESA-N 1 2 428.540 3.543 40 0 IHABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035292040 521196321 /nfs/dbraw/zinc/19/63/21/521196321.db2.gz NABWEXVFVVDHOX-RBUKOAKNSA-N 1 2 438.498 3.534 40 0 IHABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3cc(Cl)cc(Cl)c3)C1=O)CC2 ZINC000022609295 523033479 /nfs/dbraw/zinc/03/34/79/523033479.db2.gz IAXZFSRIGQOTEY-QGZVFWFLSA-N 1 2 435.307 3.701 40 0 IHABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3cc(Cl)cc(Cl)c3)C1=O)CC2 ZINC000022609295 523033486 /nfs/dbraw/zinc/03/34/86/523033486.db2.gz IAXZFSRIGQOTEY-QGZVFWFLSA-N 1 2 435.307 3.701 40 0 IHABLO Cc1cccc(OCc2nnc(SCC[NH+]3CCOCC3)n2-c2ccc(F)cc2)c1 ZINC000035311654 524770307 /nfs/dbraw/zinc/77/03/07/524770307.db2.gz GQHHCXUINDTBTG-UHFFFAOYSA-N 1 2 428.533 3.718 40 0 IHABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000020450283 527386025 /nfs/dbraw/zinc/38/60/25/527386025.db2.gz ZHPDEMHDEHZULC-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000006300869 556084624 /nfs/dbraw/zinc/08/46/24/556084624.db2.gz HUQOPDRBMSLDQW-QHCPKHFHSA-N 1 2 428.540 3.755 40 0 IHABLO COc1cc(OC)cc(-c2cc3nc4c(c(NCCCn5cc[nH+]c5)n3n2)CCCC4)c1 ZINC000013562842 556518322 /nfs/dbraw/zinc/51/83/22/556518322.db2.gz BBAKFMZAQUANLT-UHFFFAOYSA-N 1 2 432.528 3.991 40 0 IHABLO Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1NS(=O)(=O)c1ccccc1 ZINC000038755519 556617567 /nfs/dbraw/zinc/61/75/67/556617567.db2.gz CWUVFLQYEHQHKW-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO O=C([C@H]1CC=CCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019292139 556731966 /nfs/dbraw/zinc/73/19/66/556731966.db2.gz DDNVJNOCWXHDLT-IBGZPJMESA-N 1 2 449.599 3.798 40 0 IHABLO O=C([C@H]1CC=CCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019292139 556731971 /nfs/dbraw/zinc/73/19/71/556731971.db2.gz DDNVJNOCWXHDLT-IBGZPJMESA-N 1 2 449.599 3.798 40 0 IHABLO O=C(c1ccc2ccccc2c1)[C@@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019366041 556746116 /nfs/dbraw/zinc/74/61/16/556746116.db2.gz CQVAZCMDGXTNBW-CLJLJLNGSA-N 1 2 430.548 3.797 40 0 IHABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4cnccn4)C3)c2)cc1 ZINC000019570355 556810317 /nfs/dbraw/zinc/81/03/17/556810317.db2.gz RTGHKAONFQHFBW-GOSISDBHSA-N 1 2 431.496 3.951 40 0 IHABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)cc12 ZINC000006322183 556833197 /nfs/dbraw/zinc/83/31/97/556833197.db2.gz MMMDDKWUUVCDEK-QHCPKHFHSA-N 1 2 446.530 3.894 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)cc2c1 ZINC000006409292 556834716 /nfs/dbraw/zinc/83/47/16/556834716.db2.gz AKITZGVZYRAHAY-JOCHJYFZSA-N 1 2 432.503 3.586 40 0 IHABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000006409908 556835204 /nfs/dbraw/zinc/83/52/04/556835204.db2.gz ZEOHTJOXWBTQDP-QFIPXVFZSA-N 1 2 432.503 3.586 40 0 IHABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000008674175 556844148 /nfs/dbraw/zinc/84/41/48/556844148.db2.gz BPTGALQBEHFOTB-KNQAVFIVSA-N 1 2 436.560 3.544 40 0 IHABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@@H+]2CC(=O)Nc2nccs2)n1 ZINC000019694438 556850380 /nfs/dbraw/zinc/85/03/80/556850380.db2.gz OKNDOLNQCXVYJT-GOSISDBHSA-N 1 2 440.548 3.971 40 0 IHABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@H+]2CC(=O)Nc2nccs2)n1 ZINC000019694438 556850382 /nfs/dbraw/zinc/85/03/82/556850382.db2.gz OKNDOLNQCXVYJT-GOSISDBHSA-N 1 2 440.548 3.971 40 0 IHABLO Cc1cnc(-c2nc(C[N@H+](C)Cc3ccccc3)ncc2C(=O)NCc2ccccc2)cn1 ZINC000019696898 556853991 /nfs/dbraw/zinc/85/39/91/556853991.db2.gz ANAXCVGVNFSIMA-UHFFFAOYSA-N 1 2 438.535 3.804 40 0 IHABLO Cc1cnc(-c2nc(C[N@@H+](C)Cc3ccccc3)ncc2C(=O)NCc2ccccc2)cn1 ZINC000019696898 556853993 /nfs/dbraw/zinc/85/39/93/556853993.db2.gz ANAXCVGVNFSIMA-UHFFFAOYSA-N 1 2 438.535 3.804 40 0 IHABLO CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)Cc2cccc(F)c2)n1 ZINC000019700915 556860371 /nfs/dbraw/zinc/86/03/71/556860371.db2.gz JJZJNOJIIZTEAD-QGZVFWFLSA-N 1 2 437.494 3.949 40 0 IHABLO CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@@H+](C)Cc2cccc(F)c2)n1 ZINC000019700915 556860375 /nfs/dbraw/zinc/86/03/75/556860375.db2.gz JJZJNOJIIZTEAD-QGZVFWFLSA-N 1 2 437.494 3.949 40 0 IHABLO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@@H+]2Cc2cc3c(cc2OC)CCC3)n1 ZINC000019709839 556871285 /nfs/dbraw/zinc/87/12/85/556871285.db2.gz SRJLTGWDQQXERN-QFIPXVFZSA-N 1 2 437.588 3.721 40 0 IHABLO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2OC)CCC3)n1 ZINC000019709839 556871289 /nfs/dbraw/zinc/87/12/89/556871289.db2.gz SRJLTGWDQQXERN-QFIPXVFZSA-N 1 2 437.588 3.721 40 0 IHABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 ZINC000019740650 556881179 /nfs/dbraw/zinc/88/11/79/556881179.db2.gz JFSDKQRFTFVJQU-HSZRJFAPSA-N 1 2 444.583 3.686 40 0 IHABLO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 ZINC000019740650 556881182 /nfs/dbraw/zinc/88/11/82/556881182.db2.gz JFSDKQRFTFVJQU-HSZRJFAPSA-N 1 2 444.583 3.686 40 0 IHABLO Cc1c(C[N@@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)cnn1C ZINC000019740682 556881480 /nfs/dbraw/zinc/88/14/80/556881480.db2.gz GKBMRXZHMCKTPL-HSZRJFAPSA-N 1 2 444.583 3.686 40 0 IHABLO Cc1c(C[N@H+]2CCC[C@@H]2c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)cnn1C ZINC000019740682 556881484 /nfs/dbraw/zinc/88/14/84/556881484.db2.gz GKBMRXZHMCKTPL-HSZRJFAPSA-N 1 2 444.583 3.686 40 0 IHABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCCCO4)C2)n1 ZINC000072374683 556948494 /nfs/dbraw/zinc/94/84/94/556948494.db2.gz HTJAJDKFXUQCGC-HXUWFJFHSA-N 1 2 444.535 3.754 40 0 IHABLO CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CC[NH+](Cc2cncn2C)CC1 ZINC000072393953 556965063 /nfs/dbraw/zinc/96/50/63/556965063.db2.gz XNIYMJGYFSNHDW-UHFFFAOYSA-N 1 2 426.492 3.602 40 0 IHABLO CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(Cc2c[nH+]cn2C)CC1 ZINC000072393953 556965065 /nfs/dbraw/zinc/96/50/65/556965065.db2.gz XNIYMJGYFSNHDW-UHFFFAOYSA-N 1 2 426.492 3.602 40 0 IHABLO Cc1ccc(CC(=O)N2C[C@H](c3cn(C(C)C)c[nH+]3)[C@@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000585107392 557038569 /nfs/dbraw/zinc/03/85/69/557038569.db2.gz UMJXBFUDDSSCHP-KCWPFWIISA-N 1 2 448.611 3.960 40 0 IHABLO Cc1ccc(CC(=O)N2C[C@H](c3cn(C(C)C)c[nH+]3)[C@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000585107394 557038634 /nfs/dbraw/zinc/03/86/34/557038634.db2.gz UMJXBFUDDSSCHP-YIXXDRMTSA-N 1 2 448.611 3.960 40 0 IHABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3cccc(F)c3)C[C@@]23CCCN(CC2CC2)C3=O)c1 ZINC000585106564 557040580 /nfs/dbraw/zinc/04/05/80/557040580.db2.gz BIWNEEJZKOZMRZ-OFVILXPXSA-N 1 2 438.547 3.862 40 0 IHABLO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)CC1 ZINC000409410395 557103543 /nfs/dbraw/zinc/10/35/43/557103543.db2.gz WIXPVBGSNZZUQE-UHFFFAOYSA-N 1 2 435.977 3.535 40 0 IHABLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000409410866 557103866 /nfs/dbraw/zinc/10/38/66/557103866.db2.gz RIRTZQOKHKCUHH-UHFFFAOYSA-N 1 2 449.576 3.754 40 0 IHABLO CCCN1CC[N@H+](Cc2c[nH]cn2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183597 557139161 /nfs/dbraw/zinc/13/91/61/557139161.db2.gz JTTODPUDCRHUNM-NRFANRHFSA-N 1 2 432.568 3.998 40 0 IHABLO CCCN1CC[N@@H+](Cc2c[nH]cn2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183597 557139164 /nfs/dbraw/zinc/13/91/64/557139164.db2.gz JTTODPUDCRHUNM-NRFANRHFSA-N 1 2 432.568 3.998 40 0 IHABLO CCCN1CC[N@H+](Cc2cnc[nH]2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183597 557139166 /nfs/dbraw/zinc/13/91/66/557139166.db2.gz JTTODPUDCRHUNM-NRFANRHFSA-N 1 2 432.568 3.998 40 0 IHABLO CCCN1CC[N@@H+](Cc2cnc[nH]2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183597 557139170 /nfs/dbraw/zinc/13/91/70/557139170.db2.gz JTTODPUDCRHUNM-NRFANRHFSA-N 1 2 432.568 3.998 40 0 IHABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006148949 557146425 /nfs/dbraw/zinc/14/64/25/557146425.db2.gz PNFRBMCVGTWHIL-QFIPXVFZSA-N 1 2 436.560 3.850 40 0 IHABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)CC2 ZINC000096305302 557195134 /nfs/dbraw/zinc/19/51/34/557195134.db2.gz RCMJHRUZDLEVGD-KRWDZBQOSA-N 1 2 435.307 3.701 40 0 IHABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)CC2 ZINC000096305302 557195137 /nfs/dbraw/zinc/19/51/37/557195137.db2.gz RCMJHRUZDLEVGD-KRWDZBQOSA-N 1 2 435.307 3.701 40 0 IHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCCC(=O)N2 ZINC000585261691 557195803 /nfs/dbraw/zinc/19/58/03/557195803.db2.gz KOFYACMWMXSLIV-JYFHCDHNSA-N 1 2 446.526 3.739 40 0 IHABLO CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670425 557256689 /nfs/dbraw/zinc/25/66/89/557256689.db2.gz OGUBPMJTJBZRDL-UXHICEINSA-N 1 2 433.000 3.867 40 0 IHABLO CCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057671371 557257278 /nfs/dbraw/zinc/25/72/78/557257278.db2.gz IKDPNPYJAJHAAP-OAQYLSRUSA-N 1 2 448.571 3.730 40 0 IHABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000022929234 557277449 /nfs/dbraw/zinc/27/74/49/557277449.db2.gz GUCFFGAAKAONOZ-QFIPXVFZSA-N 1 2 438.551 3.528 40 0 IHABLO CCc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2Br)CC1 ZINC000013562899 557353199 /nfs/dbraw/zinc/35/31/99/557353199.db2.gz BASFLHUQDKWPDZ-UHFFFAOYSA-N 1 2 444.373 3.844 40 0 IHABLO COc1cccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)c1OC ZINC000072351668 557386110 /nfs/dbraw/zinc/38/61/10/557386110.db2.gz VWPZOIXXVZOUKR-QHCPKHFHSA-N 1 2 431.536 3.651 40 0 IHABLO COc1cccc(C[N@H+]2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)c1OC ZINC000072351668 557386114 /nfs/dbraw/zinc/38/61/14/557386114.db2.gz VWPZOIXXVZOUKR-QHCPKHFHSA-N 1 2 431.536 3.651 40 0 IHABLO COc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)cc1OC ZINC000072351669 557386253 /nfs/dbraw/zinc/38/62/53/557386253.db2.gz CGAYCQBHRZTEOY-HSZRJFAPSA-N 1 2 431.536 3.651 40 0 IHABLO COc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)cc1OC ZINC000072351669 557386255 /nfs/dbraw/zinc/38/62/55/557386255.db2.gz CGAYCQBHRZTEOY-HSZRJFAPSA-N 1 2 431.536 3.651 40 0 IHABLO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019221890 557498159 /nfs/dbraw/zinc/49/81/59/557498159.db2.gz KVGWKMTYQURVEH-QFIPXVFZSA-N 1 2 428.540 3.726 40 0 IHABLO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019221890 557498160 /nfs/dbraw/zinc/49/81/60/557498160.db2.gz KVGWKMTYQURVEH-QFIPXVFZSA-N 1 2 428.540 3.726 40 0 IHABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1cc2cc(OC)ccc2[nH]c1=O ZINC000019526614 557501831 /nfs/dbraw/zinc/50/18/31/557501831.db2.gz KGPQXRZEGQZOFO-QFIPXVFZSA-N 1 2 446.555 3.890 40 0 IHABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1cc2cc(OC)ccc2[nH]c1=O ZINC000019526614 557501834 /nfs/dbraw/zinc/50/18/34/557501834.db2.gz KGPQXRZEGQZOFO-QFIPXVFZSA-N 1 2 446.555 3.890 40 0 IHABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COC(C)C ZINC000224720403 557643835 /nfs/dbraw/zinc/64/38/35/557643835.db2.gz KEFQSJMVCILDBD-UHFFFAOYSA-N 1 2 440.540 3.697 40 0 IHABLO O=C(c1snnc1-c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225785292 557777853 /nfs/dbraw/zinc/77/78/53/557777853.db2.gz DECVKCHBUVJAHU-UHFFFAOYSA-N 1 2 443.370 3.926 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257200876 568665438 /nfs/dbraw/zinc/66/54/38/568665438.db2.gz AFFBGQYBWMXITI-JOCHJYFZSA-N 1 2 426.520 3.811 40 0 IHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257200877 568665463 /nfs/dbraw/zinc/66/54/63/568665463.db2.gz AFFBGQYBWMXITI-QFIPXVFZSA-N 1 2 426.520 3.811 40 0 IHABLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(Nc4ccc(F)cn4)n3)C2)cc1CO ZINC000257206986 568668337 /nfs/dbraw/zinc/66/83/37/568668337.db2.gz BFSMLYHGCFEKAX-QFIPXVFZSA-N 1 2 438.503 3.824 40 0 IHABLO CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(Nc4ccc(F)cn4)n3)C2)cc1CO ZINC000257206986 568668341 /nfs/dbraw/zinc/66/83/41/568668341.db2.gz BFSMLYHGCFEKAX-QFIPXVFZSA-N 1 2 438.503 3.824 40 0 IHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)c(C)n1 ZINC000257210032 568669596 /nfs/dbraw/zinc/66/95/96/568669596.db2.gz BSVMZGIGODTAMR-JOCHJYFZSA-N 1 2 429.952 3.783 40 0 IHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)c(C)n1 ZINC000257210032 568669598 /nfs/dbraw/zinc/66/95/98/568669598.db2.gz BSVMZGIGODTAMR-JOCHJYFZSA-N 1 2 429.952 3.783 40 0 IHABLO Cc1[nH]c2ccc(NC(=O)C[C@H]3CCCN(C(=O)c4cn5cc(C)ccc5n4)C3)cc2[nH+]1 ZINC000257243799 568685581 /nfs/dbraw/zinc/68/55/81/568685581.db2.gz IIOXMPOQNRVXDH-QGZVFWFLSA-N 1 2 430.512 3.708 40 0 IHABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CO2 ZINC000257260040 568693278 /nfs/dbraw/zinc/69/32/78/568693278.db2.gz LBCOPIRWZVQFKD-HSZRJFAPSA-N 1 2 447.539 3.725 40 0 IHABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CO2 ZINC000257260040 568693281 /nfs/dbraw/zinc/69/32/81/568693281.db2.gz LBCOPIRWZVQFKD-HSZRJFAPSA-N 1 2 447.539 3.725 40 0 IHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)c(C)n1 ZINC000257272190 568698631 /nfs/dbraw/zinc/69/86/31/568698631.db2.gz NBJRBFUFOFJKGZ-JOCHJYFZSA-N 1 2 429.952 3.783 40 0 IHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)c(C)n1 ZINC000257272190 568698635 /nfs/dbraw/zinc/69/86/35/568698635.db2.gz NBJRBFUFOFJKGZ-JOCHJYFZSA-N 1 2 429.952 3.783 40 0 IHABLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)c1C ZINC000257273025 568698759 /nfs/dbraw/zinc/69/87/59/568698759.db2.gz NEXQGYSQZRVOEO-DEOSSOPVSA-N 1 2 441.551 3.587 40 0 IHABLO CCn1nc(C)c(C[N@H+]2CCO[C@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)c1C ZINC000257273025 568698762 /nfs/dbraw/zinc/69/87/62/568698762.db2.gz NEXQGYSQZRVOEO-DEOSSOPVSA-N 1 2 441.551 3.587 40 0 IHABLO CNc1nc([C@H]2CCN(C(=O)c3ccccc3-c3ccccc3)C2)nc2c1C[N@H+](C)CC2 ZINC000257296670 568709759 /nfs/dbraw/zinc/70/97/59/568709759.db2.gz RDVNIVWJCGNVDA-IBGZPJMESA-N 1 2 427.552 3.803 40 0 IHABLO CNc1nc([C@H]2CCN(C(=O)c3ccccc3-c3ccccc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257296670 568709760 /nfs/dbraw/zinc/70/97/60/568709760.db2.gz RDVNIVWJCGNVDA-IBGZPJMESA-N 1 2 427.552 3.803 40 0 IHABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)COc4ccccc4)CCO3)c2)n1 ZINC000257303957 568713056 /nfs/dbraw/zinc/71/30/56/568713056.db2.gz SJMCPZJZAXAXDN-QFIPXVFZSA-N 1 2 433.512 3.519 40 0 IHABLO CCn1cc(NC(=O)C[NH+]2CC3(C2)CO[C@@H]2c4ccc(C)cc4OC(C)(C)[C@H]2C3)c(C)n1 ZINC000257318047 568719159 /nfs/dbraw/zinc/71/91/59/568719159.db2.gz VMFXJSVNNSLIDK-WMZHIEFXSA-N 1 2 438.572 3.709 40 0 IHABLO COc1ccc(NC(=O)CN2CCO[C@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)cc1 ZINC000257323466 568721582 /nfs/dbraw/zinc/72/15/82/568721582.db2.gz WKGXZNRXZVYAAQ-QFIPXVFZSA-N 1 2 433.512 3.549 40 0 IHABLO COc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c2ccccc12 ZINC000261362387 568733223 /nfs/dbraw/zinc/73/32/23/568733223.db2.gz JCRYBKORLITHFN-QHCPKHFHSA-O 1 2 445.524 3.934 40 0 IHABLO CCc1c(C)sc2ncn([C@@H]3CCC[N@H+](CC(=O)N4[C@H](C)CCC[C@H]4C)C3)c(=O)c12 ZINC000251996479 569208087 /nfs/dbraw/zinc/20/80/87/569208087.db2.gz KVIFAHCOEATTHL-JFIYKMOQSA-N 1 2 430.618 3.755 40 0 IHABLO CCc1c(C)sc2ncn([C@@H]3CCC[N@@H+](CC(=O)N4[C@H](C)CCC[C@H]4C)C3)c(=O)c12 ZINC000251996479 569208088 /nfs/dbraw/zinc/20/80/88/569208088.db2.gz KVIFAHCOEATTHL-JFIYKMOQSA-N 1 2 430.618 3.755 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2cc3cccc(OC)c3o2)CCO1 ZINC000019703254 569232855 /nfs/dbraw/zinc/23/28/55/569232855.db2.gz YUXNRODRUHABDU-GOSISDBHSA-N 1 2 437.521 3.984 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2cc3cccc(OC)c3o2)CCO1 ZINC000019703254 569232856 /nfs/dbraw/zinc/23/28/56/569232856.db2.gz YUXNRODRUHABDU-GOSISDBHSA-N 1 2 437.521 3.984 40 0 IHABLO Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000019766725 569239589 /nfs/dbraw/zinc/23/95/89/569239589.db2.gz IUZRAGWMWMGFKR-NRFANRHFSA-N 1 2 439.535 3.762 40 0 IHABLO Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000019766725 569239590 /nfs/dbraw/zinc/23/95/90/569239590.db2.gz IUZRAGWMWMGFKR-NRFANRHFSA-N 1 2 439.535 3.762 40 0 IHABLO CC(C)(C)c1ccc(C[S@@](=O)[C@H]2CCCC[C@@H]2OC(=O)CC[NH+]2CCOCC2)cc1 ZINC000020458821 519031556 /nfs/dbraw/zinc/03/15/56/519031556.db2.gz DSUICHSCVSACPM-PWWNZBMUSA-N 1 2 435.630 3.810 40 0 IHABLO CCCC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000035289902 521106137 /nfs/dbraw/zinc/10/61/37/521106137.db2.gz COROWWIUDGRCOB-NRFANRHFSA-N 1 2 434.544 3.504 40 0 IHABLO CCCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497374 521123763 /nfs/dbraw/zinc/12/37/63/521123763.db2.gz ULJQRIQFIWZTKL-IMIIHFCZSA-N 1 2 434.536 3.856 40 0 IHABLO CNc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000020478168 522686818 /nfs/dbraw/zinc/68/68/18/522686818.db2.gz BRNAQHDJLNISJV-OAQYLSRUSA-N 1 2 427.552 3.753 40 0 IHABLO COc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC000035291855 523684146 /nfs/dbraw/zinc/68/41/46/523684146.db2.gz YHWHCXXQBHEAMX-UHFFFAOYSA-N 1 2 436.339 3.835 40 0 IHABLO COc1ccc2[nH]cc(CCNC(=O)C3CCN(c4[nH+]c5ccccc5n4C)CC3)c2c1 ZINC000012116356 525493026 /nfs/dbraw/zinc/49/30/26/525493026.db2.gz QKXOWFNHNGIHPL-UHFFFAOYSA-N 1 2 431.540 3.639 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006196925 556080297 /nfs/dbraw/zinc/08/02/97/556080297.db2.gz IIIOSNOZMSVTDP-KSFYIVLOSA-N 1 2 436.560 3.850 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006196925 556080300 /nfs/dbraw/zinc/08/03/00/556080300.db2.gz IIIOSNOZMSVTDP-KSFYIVLOSA-N 1 2 436.560 3.850 40 0 IHABLO O=C(c1ccccc1I)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000069001790 556564997 /nfs/dbraw/zinc/56/49/97/556564997.db2.gz RHHUCRFIWCAKDN-RMKNXTFCSA-N 1 2 432.305 3.762 40 0 IHABLO COc1cccc2ccc(C[N@@H+]3CCNC(=O)[C@H]3Cc3ccc(-c4cccnc4)cc3)nc21 ZINC000257326609 556705194 /nfs/dbraw/zinc/70/51/94/556705194.db2.gz WXWBZHZSYKYFLF-XMMPIXPASA-N 1 2 438.531 3.849 40 0 IHABLO COc1cccc2ccc(C[N@H+]3CCNC(=O)[C@H]3Cc3ccc(-c4cccnc4)cc3)nc21 ZINC000257326609 556705195 /nfs/dbraw/zinc/70/51/95/556705195.db2.gz WXWBZHZSYKYFLF-XMMPIXPASA-N 1 2 438.531 3.849 40 0 IHABLO COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCn3cc[nH+]c3)CCOCC2)cc1 ZINC000257277959 556714513 /nfs/dbraw/zinc/71/45/13/556714513.db2.gz OADMDRLWIJJBQA-UHFFFAOYSA-N 1 2 437.515 3.854 40 0 IHABLO O=C(c1ccc2ccccc2c1)[C@@H]([C@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019366040 556745985 /nfs/dbraw/zinc/74/59/85/556745985.db2.gz CQVAZCMDGXTNBW-IZZNHLLZSA-N 1 2 430.548 3.797 40 0 IHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCC3)cc2c1 ZINC000000927962 556753859 /nfs/dbraw/zinc/75/38/59/556753859.db2.gz RVXZHQSZZHRPOE-UHFFFAOYSA-N 1 2 436.560 3.973 40 0 IHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCC3)cc2c1 ZINC000000927962 556753860 /nfs/dbraw/zinc/75/38/60/556753860.db2.gz RVXZHQSZZHRPOE-UHFFFAOYSA-N 1 2 436.560 3.973 40 0 IHABLO CCCN1CC[N@H+](Cc2nccn2CC)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502952 556774157 /nfs/dbraw/zinc/77/41/57/556774157.db2.gz BFMWWJJUYQUMPU-XMMPIXPASA-N 1 2 431.584 3.878 40 0 IHABLO CCCN1CC[N@@H+](Cc2nccn2CC)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502952 556774160 /nfs/dbraw/zinc/77/41/60/556774160.db2.gz BFMWWJJUYQUMPU-XMMPIXPASA-N 1 2 431.584 3.878 40 0 IHABLO CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC000019528781 556789343 /nfs/dbraw/zinc/78/93/43/556789343.db2.gz NNUAPUPGLBJBQZ-UUOWRZLLSA-N 1 2 436.581 3.770 40 0 IHABLO Cc1ccc2c(c1)cc(C[N@H+](Cc1nnnn1C1CCCC1)C1CCCC1)c1nnnn12 ZINC000001367517 556791736 /nfs/dbraw/zinc/79/17/36/556791736.db2.gz XMCDNXSGAGHOHJ-UHFFFAOYSA-N 1 2 431.548 3.632 40 0 IHABLO Cc1ccc2c(c1)cc(C[N@@H+](Cc1nnnn1C1CCCC1)C1CCCC1)c1nnnn12 ZINC000001367517 556791740 /nfs/dbraw/zinc/79/17/40/556791740.db2.gz XMCDNXSGAGHOHJ-UHFFFAOYSA-N 1 2 431.548 3.632 40 0 IHABLO CCn1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000001370952 556792864 /nfs/dbraw/zinc/79/28/64/556792864.db2.gz NIVBYTICZJUKRU-UHFFFAOYSA-N 1 2 438.475 3.586 40 0 IHABLO COc1cc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc(OC)c1OC ZINC000019549781 556794761 /nfs/dbraw/zinc/79/47/61/556794761.db2.gz HTFCQVKFCOMAEN-LJQANCHMSA-N 1 2 436.512 3.997 40 0 IHABLO COc1cc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc(OC)c1OC ZINC000019549781 556794764 /nfs/dbraw/zinc/79/47/64/556794764.db2.gz HTFCQVKFCOMAEN-LJQANCHMSA-N 1 2 436.512 3.997 40 0 IHABLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c(OC)c1OC ZINC000019552770 556796460 /nfs/dbraw/zinc/79/64/60/556796460.db2.gz LFEGLICVOBXTLC-LJQANCHMSA-N 1 2 436.512 3.997 40 0 IHABLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c(OC)c1OC ZINC000019552770 556796463 /nfs/dbraw/zinc/79/64/63/556796463.db2.gz LFEGLICVOBXTLC-LJQANCHMSA-N 1 2 436.512 3.997 40 0 IHABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c2c1C ZINC000006442405 556835653 /nfs/dbraw/zinc/83/56/53/556835653.db2.gz IHZOCIAXHQAMBL-QHCPKHFHSA-N 1 2 428.540 3.755 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000006444141 556836997 /nfs/dbraw/zinc/83/69/97/556836997.db2.gz KMMHPQZWBZFJDY-GAJHUEQPSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000006444141 556837000 /nfs/dbraw/zinc/83/70/00/556837000.db2.gz KMMHPQZWBZFJDY-GAJHUEQPSA-N 1 2 428.540 3.693 40 0 IHABLO O=C(NCCO)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000019697686 556855251 /nfs/dbraw/zinc/85/52/51/556855251.db2.gz SOOCHSMCNWGTHP-NRFANRHFSA-N 1 2 447.560 3.745 40 0 IHABLO O=C(NCCO)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000019697686 556855252 /nfs/dbraw/zinc/85/52/52/556855252.db2.gz SOOCHSMCNWGTHP-NRFANRHFSA-N 1 2 447.560 3.745 40 0 IHABLO CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1C[N@H+](Cc1ccc3ncccc3c1)CC2 ZINC000019710379 556872714 /nfs/dbraw/zinc/87/27/14/556872714.db2.gz RSMBKBXUCLYVDI-QHCPKHFHSA-N 1 2 430.556 3.698 40 0 IHABLO CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1C[N@@H+](Cc1ccc3ncccc3c1)CC2 ZINC000019710379 556872718 /nfs/dbraw/zinc/87/27/18/556872718.db2.gz RSMBKBXUCLYVDI-QHCPKHFHSA-N 1 2 430.556 3.698 40 0 IHABLO CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)C[N@H+](C)Cc4ccccc4F)C3)ccc12 ZINC000019742311 556886217 /nfs/dbraw/zinc/88/62/17/556886217.db2.gz HRRHYSWCMDLWGI-GOSISDBHSA-N 1 2 438.551 3.755 40 0 IHABLO CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)C[N@@H+](C)Cc4ccccc4F)C3)ccc12 ZINC000019742311 556886220 /nfs/dbraw/zinc/88/62/20/556886220.db2.gz HRRHYSWCMDLWGI-GOSISDBHSA-N 1 2 438.551 3.755 40 0 IHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019759717 556903630 /nfs/dbraw/zinc/90/36/30/556903630.db2.gz OEFBEDWAFHBWAY-OAQYLSRUSA-N 1 2 448.552 3.559 40 0 IHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019759717 556903633 /nfs/dbraw/zinc/90/36/33/556903633.db2.gz OEFBEDWAFHBWAY-OAQYLSRUSA-N 1 2 448.552 3.559 40 0 IHABLO Cc1ccc(-c2ccccc2CC2(C(=O)NCC[NH+]3CCOCC3)CCOCC2)c(C)c1 ZINC000072341854 556914359 /nfs/dbraw/zinc/91/43/59/556914359.db2.gz JWKJEUPUHDCQCA-UHFFFAOYSA-N 1 2 436.596 3.758 40 0 IHABLO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 ZINC000072361465 556933446 /nfs/dbraw/zinc/93/34/46/556933446.db2.gz RQIGATSADGRZHC-SFHVURJKSA-N 1 2 425.562 3.610 40 0 IHABLO COCCc1ncc(C[N@H+]2CCC[C@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 ZINC000072361465 556933448 /nfs/dbraw/zinc/93/34/48/556933448.db2.gz RQIGATSADGRZHC-SFHVURJKSA-N 1 2 425.562 3.610 40 0 IHABLO Cc1[nH+]ccn1CCC(=O)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371533 556939439 /nfs/dbraw/zinc/93/94/39/556939439.db2.gz OOPLJKGIFLZECB-KRWDZBQOSA-N 1 2 427.936 3.596 40 0 IHABLO CNc1nc([C@H]2CCCC[N@@H+]2Cc2ccc3ncccc3c2)nc2c1CCN(C(C)=O)C2 ZINC000072376569 556955097 /nfs/dbraw/zinc/95/50/97/556955097.db2.gz HUDLLGRGQLKGGZ-HSZRJFAPSA-N 1 2 430.556 3.698 40 0 IHABLO CNc1nc([C@H]2CCCC[N@H+]2Cc2ccc3ncccc3c2)nc2c1CCN(C(C)=O)C2 ZINC000072376569 556955099 /nfs/dbraw/zinc/95/50/99/556955099.db2.gz HUDLLGRGQLKGGZ-HSZRJFAPSA-N 1 2 430.556 3.698 40 0 IHABLO Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1NS(=O)(=O)c1ccccc1 ZINC000020108486 556984293 /nfs/dbraw/zinc/98/42/93/556984293.db2.gz BGBSLZMHSZQSKH-UHFFFAOYSA-N 1 2 446.532 3.912 40 0 IHABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3cccs3)C[C@@]23CCCN(CC2CC2)C3=O)c1 ZINC000585107450 557038537 /nfs/dbraw/zinc/03/85/37/557038537.db2.gz WDNNSCQNRPCLLH-JPYJTQIMSA-N 1 2 426.586 3.784 40 0 IHABLO CN(c1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000216358974 557144354 /nfs/dbraw/zinc/14/43/54/557144354.db2.gz JWLBPPHYHXWGJL-UHFFFAOYSA-N 1 2 446.532 3.627 40 0 IHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006196772 557148982 /nfs/dbraw/zinc/14/89/82/557148982.db2.gz WDWNYOOBIRINEQ-QFIPXVFZSA-N 1 2 436.560 3.850 40 0 IHABLO CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCC[C@H](Cc2cccc3[nH+]ccn32)CC1 ZINC000585261811 557197034 /nfs/dbraw/zinc/19/70/34/557197034.db2.gz OALROBYSOYFWQM-SFHVURJKSA-N 1 2 436.531 3.853 40 0 IHABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](C[C@@H]5CC=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000100232706 557249886 /nfs/dbraw/zinc/24/98/86/557249886.db2.gz ZDTAVEDKDONHDY-GOSISDBHSA-N 1 2 437.588 3.655 40 0 IHABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499504 557328585 /nfs/dbraw/zinc/32/85/85/557328585.db2.gz FFURBWHAZKSPMC-NRFANRHFSA-N 1 2 440.592 3.612 40 0 IHABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499504 557328586 /nfs/dbraw/zinc/32/85/86/557328586.db2.gz FFURBWHAZKSPMC-NRFANRHFSA-N 1 2 440.592 3.612 40 0 IHABLO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)CC1 ZINC000014155463 557427073 /nfs/dbraw/zinc/42/70/73/557427073.db2.gz YHPDEBKRKMNPSI-UHFFFAOYSA-N 1 2 435.977 3.535 40 0 IHABLO CC[N@H+](CCCNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1)c1ccc(C)cc1 ZINC000224400515 557602079 /nfs/dbraw/zinc/60/20/79/557602079.db2.gz JCLMXHDVOAUTTF-UHFFFAOYSA-N 1 2 443.613 3.880 40 0 IHABLO CC[N@@H+](CCCNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1)c1ccc(C)cc1 ZINC000224400515 557602083 /nfs/dbraw/zinc/60/20/83/557602083.db2.gz JCLMXHDVOAUTTF-UHFFFAOYSA-N 1 2 443.613 3.880 40 0 IHABLO CCOc1ccc(NC(=S)N2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000225224766 557702189 /nfs/dbraw/zinc/70/21/89/557702189.db2.gz JWYUAHRGXRBIDQ-UHFFFAOYSA-N 1 2 445.585 3.626 40 0 IHABLO Cc1nnc(SCCNC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)[nH]1 ZINC000225910035 557790932 /nfs/dbraw/zinc/79/09/32/557790932.db2.gz GAUSLUSGMUTCOW-ZDUSSCGKSA-N 1 2 428.389 3.540 40 0 IHABLO Cc1nnc(SCCNC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)[nH]1 ZINC000225910035 557790938 /nfs/dbraw/zinc/79/09/38/557790938.db2.gz GAUSLUSGMUTCOW-ZDUSSCGKSA-N 1 2 428.389 3.540 40 0 IHABLO OCc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)o1 ZINC000015675536 560094988 /nfs/dbraw/zinc/09/49/88/560094988.db2.gz OVKOCDQYJQVGMV-SFHVURJKSA-N 1 2 445.401 3.863 40 0 biogenic,in-vitro IHABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257206472 568668250 /nfs/dbraw/zinc/66/82/50/568668250.db2.gz BDPKWYMWWHHGBE-XMMPIXPASA-N 1 2 433.556 3.815 40 0 IHABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257206472 568668253 /nfs/dbraw/zinc/66/82/53/568668253.db2.gz BDPKWYMWWHHGBE-XMMPIXPASA-N 1 2 433.556 3.815 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCC[N@@H+]3Cc3ccncc3)nn2c1C ZINC000257211411 568670345 /nfs/dbraw/zinc/67/03/45/568670345.db2.gz BYTWOTQYLPPPII-QHCPKHFHSA-N 1 2 434.588 3.927 40 0 IHABLO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCC[N@H+]3Cc3ccncc3)nn2c1C ZINC000257211411 568670348 /nfs/dbraw/zinc/67/03/48/568670348.db2.gz BYTWOTQYLPPPII-QHCPKHFHSA-N 1 2 434.588 3.927 40 0 IHABLO CNc1cc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCN(C(C)=O)CC2)cc[nH+]1 ZINC000257247057 568686989 /nfs/dbraw/zinc/68/69/89/568686989.db2.gz IXFBCFCSUBEPHN-QFIPXVFZSA-N 1 2 438.547 3.797 40 0 IHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CC[C@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 ZINC000257269582 568697170 /nfs/dbraw/zinc/69/71/70/568697170.db2.gz MQNZBVGCFKIIOZ-QHCPKHFHSA-N 1 2 436.899 3.826 40 0 IHABLO O=C(c1ccccc1CN1CCOCC1)N1CCC[C@H](Cc2cccn3cc[nH+]c23)CC1 ZINC000257277950 568700996 /nfs/dbraw/zinc/70/09/96/568700996.db2.gz OADFBQYJVMFBPK-NRFANRHFSA-N 1 2 432.568 3.652 40 0 IHABLO COc1cc2c(cc1CN1CCO[C@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C1)OCCO2 ZINC000257310467 568715692 /nfs/dbraw/zinc/71/56/92/568715692.db2.gz UFEJTNURJGNITH-DEOSSOPVSA-N 1 2 448.523 3.882 40 0 IHABLO Cc1cccc(C[N@@H+]2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)n1 ZINC000257312631 568716500 /nfs/dbraw/zinc/71/65/00/568716500.db2.gz UOWJIOQOUWQGFZ-QHCPKHFHSA-N 1 2 432.572 3.598 40 0 IHABLO Cc1cccc(C[N@H+]2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)n1 ZINC000257312631 568716501 /nfs/dbraw/zinc/71/65/01/568716501.db2.gz UOWJIOQOUWQGFZ-QHCPKHFHSA-N 1 2 432.572 3.598 40 0 IHABLO Cc1[nH+]c2cc(C)ccn2c1CN1CCO[C@@H](c2cc(CCOc3ccccc3)n(C)n2)C1 ZINC000257316298 568718357 /nfs/dbraw/zinc/71/83/57/568718357.db2.gz VEZDQQQOKFXLDU-RUZDIDTESA-N 1 2 445.567 3.880 40 0 IHABLO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccccc3)n(C)n2)C1 ZINC000257316298 568718358 /nfs/dbraw/zinc/71/83/58/568718358.db2.gz VEZDQQQOKFXLDU-RUZDIDTESA-N 1 2 445.567 3.880 40 0 IHABLO Cc1nc2cc(C)ccn2c1C[N@H+]1CCO[C@@H](c2cc(CCOc3ccccc3)n(C)n2)C1 ZINC000257316298 568718359 /nfs/dbraw/zinc/71/83/59/568718359.db2.gz VEZDQQQOKFXLDU-RUZDIDTESA-N 1 2 445.567 3.880 40 0 IHABLO CCn1ncc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)c1C ZINC000257333470 568725761 /nfs/dbraw/zinc/72/57/61/568725761.db2.gz YBSAMXCOFCDZKM-QFIPXVFZSA-N 1 2 429.952 3.783 40 0 IHABLO CCn1ncc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)c1C ZINC000257333470 568725764 /nfs/dbraw/zinc/72/57/64/568725764.db2.gz YBSAMXCOFCDZKM-QFIPXVFZSA-N 1 2 429.952 3.783 40 0 IHABLO COc1ncccc1NC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306126920 568764458 /nfs/dbraw/zinc/76/44/58/568764458.db2.gz FJEOHNDLPYSUIQ-FQEVSTJZSA-N 1 2 428.496 3.722 40 0 IHABLO COc1ncccc1NC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306126920 568764460 /nfs/dbraw/zinc/76/44/60/568764460.db2.gz FJEOHNDLPYSUIQ-FQEVSTJZSA-N 1 2 428.496 3.722 40 0 IHABLO COc1cccc(-c2cnc3c(N4CC[NH+](Cc5cnn(C(C)C)c5)CC4)nccn23)c1 ZINC000306129612 568765898 /nfs/dbraw/zinc/76/58/98/568765898.db2.gz IICZQLDQGNLBOW-UHFFFAOYSA-N 1 2 431.544 3.505 40 0 IHABLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c1C ZINC000019692961 569228408 /nfs/dbraw/zinc/22/84/08/569228408.db2.gz XEDHPKYAIQGNDX-QFIPXVFZSA-N 1 2 438.551 3.755 40 0 IHABLO CCn1nc(C)c(C[N@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c1C ZINC000019692961 569228410 /nfs/dbraw/zinc/22/84/10/569228410.db2.gz XEDHPKYAIQGNDX-QFIPXVFZSA-N 1 2 438.551 3.755 40 0 IHABLO Cc1cccc(C[N@@H+]2CCO[C@@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)c1 ZINC000019703244 569232849 /nfs/dbraw/zinc/23/28/49/569232849.db2.gz ILGLXRIPSYJBNX-HXUWFJFHSA-N 1 2 437.565 3.651 40 0 IHABLO Cc1cccc(C[N@H+]2CCO[C@@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)c1 ZINC000019703244 569232851 /nfs/dbraw/zinc/23/28/51/569232851.db2.gz ILGLXRIPSYJBNX-HXUWFJFHSA-N 1 2 437.565 3.651 40 0 IHABLO Cc1nc([C@H]2CCCN(C(=O)CCCn3c4ccccc4[nH+]c3C(C)C)C2)ncc1C(N)=O ZINC000019763772 569238219 /nfs/dbraw/zinc/23/82/19/569238219.db2.gz PARPRBAIAKSGQH-SFHVURJKSA-N 1 2 448.571 3.543 40 0 IHABLO Cc1c(C[N@H+]2CCCC[C@@H]2c2ncc(C(=O)N(C)C)c(C)n2)c(-c2ccccc2)nn1C ZINC000019765605 569238936 /nfs/dbraw/zinc/23/89/36/569238936.db2.gz ZYXSLDTVRKZERV-JOCHJYFZSA-N 1 2 432.572 3.923 40 0 IHABLO Cc1c(C[N@@H+]2CCCC[C@@H]2c2ncc(C(=O)N(C)C)c(C)n2)c(-c2ccccc2)nn1C ZINC000019765605 569238937 /nfs/dbraw/zinc/23/89/37/569238937.db2.gz ZYXSLDTVRKZERV-JOCHJYFZSA-N 1 2 432.572 3.923 40 0 IHABLO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(C)=O ZINC000009348898 569295805 /nfs/dbraw/zinc/29/58/05/569295805.db2.gz ZXOODZDVQKLXTF-GXRSIYKFSA-N 1 2 436.895 3.761 40 0 IHABLO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(C)=O ZINC000009348898 569295806 /nfs/dbraw/zinc/29/58/06/569295806.db2.gz ZXOODZDVQKLXTF-GXRSIYKFSA-N 1 2 436.895 3.761 40 0 IHABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009510429 569297083 /nfs/dbraw/zinc/29/70/83/569297083.db2.gz CZLNOORALBDGNW-KLICCBINSA-N 1 2 429.303 3.829 40 0 IHABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000009510429 569297084 /nfs/dbraw/zinc/29/70/84/569297084.db2.gz CZLNOORALBDGNW-KLICCBINSA-N 1 2 429.303 3.829 40 0 IHABLO COCCNC(=O)c1cc([C@@H]2C[N@H+](Cc3cccc(C)c3OC)CCO2)nc2ccccc21 ZINC000019762361 569328878 /nfs/dbraw/zinc/32/88/78/569328878.db2.gz OUFZOKBXDMJNPA-DEOSSOPVSA-N 1 2 449.551 3.502 40 0 IHABLO COCCNC(=O)c1cc([C@@H]2C[N@@H+](Cc3cccc(C)c3OC)CCO2)nc2ccccc21 ZINC000019762361 569328879 /nfs/dbraw/zinc/32/88/79/569328879.db2.gz OUFZOKBXDMJNPA-DEOSSOPVSA-N 1 2 449.551 3.502 40 0 IHABLO O=C(C[NH+]1CCC(c2cn3cccc3c(Nc3ccccn3)n2)CC1)Nc1ccccc1F ZINC000585263643 569583404 /nfs/dbraw/zinc/58/34/04/569583404.db2.gz XNHZCXBKNAFAKO-UHFFFAOYSA-N 1 2 444.514 4.430 40 0 IHABLO CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000022485799 521775454 /nfs/dbraw/zinc/77/54/54/521775454.db2.gz LLVHXOMAJVIRAN-KRWDZBQOSA-N 1 2 427.570 3.823 40 0 IHABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4ccc(Cl)cc4)C[N@@H+]3C)n2)cc1 ZINC000012529917 523301839 /nfs/dbraw/zinc/30/18/39/523301839.db2.gz FQFDYIODHMIBHD-WMZOPIPTSA-N 1 2 427.892 3.966 40 0 biogenic,in-vitro IHABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4ccc(Cl)cc4)C[N@H+]3C)n2)cc1 ZINC000012529917 523301852 /nfs/dbraw/zinc/30/18/52/523301852.db2.gz FQFDYIODHMIBHD-WMZOPIPTSA-N 1 2 427.892 3.966 40 0 biogenic,in-vitro IHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012469794 524058608 /nfs/dbraw/zinc/05/86/08/524058608.db2.gz PFYSSDAYXSPBCB-HOYKHHGWSA-N 1 2 442.567 3.947 40 0 IHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012469794 524058610 /nfs/dbraw/zinc/05/86/10/524058610.db2.gz PFYSSDAYXSPBCB-HOYKHHGWSA-N 1 2 442.567 3.947 40 0 IHABLO COc1ccc([C@@H]2NC3=[NH+]CN(C4CCCCC4)CN3c3nc4ccccc4n32)cc1OC ZINC000020638590 525267338 /nfs/dbraw/zinc/26/73/38/525267338.db2.gz DHOYXNUQKCLSHS-HSZRJFAPSA-N 1 2 446.555 3.929 40 0 IHABLO O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000001003561 555600537 /nfs/dbraw/zinc/60/05/37/555600537.db2.gz FJBCZMFEXMPRHS-QHCPKHFHSA-N 1 2 446.547 3.562 40 0 IHABLO O=C1CC[NH2+][C@@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)N1 ZINC000408737060 556204721 /nfs/dbraw/zinc/20/47/21/556204721.db2.gz LLGMRQXCEHKUGU-QGZVFWFLSA-N 1 2 440.135 3.899 40 0 IHABLO O=c1c2ccccc2nc(CSC2=[NH+][C@@H]3C=Cc4nsnc4[C@@H]3N2)n1-c1ccccc1 ZINC000016523707 556613793 /nfs/dbraw/zinc/61/37/93/556613793.db2.gz BUXPXDMKAZUHKZ-VQIMIIECSA-N 1 2 444.545 3.566 40 0 IHABLO Cn1c(C[N@@H+]2CCN(C)C(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)nc2ccccc21 ZINC000019289951 556729666 /nfs/dbraw/zinc/72/96/66/556729666.db2.gz FIXLCGRZZPTXSB-QHCPKHFHSA-N 1 2 439.563 3.768 40 0 IHABLO Cn1c(C[N@H+]2CCN(C)C(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)nc2ccccc21 ZINC000019289951 556729669 /nfs/dbraw/zinc/72/96/69/556729669.db2.gz FIXLCGRZZPTXSB-QHCPKHFHSA-N 1 2 439.563 3.768 40 0 IHABLO CCc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000019523279 556780369 /nfs/dbraw/zinc/78/03/69/556780369.db2.gz YYXFLYSOCNXBOL-GOSISDBHSA-N 1 2 430.512 3.840 40 0 IHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)cc2c1 ZINC000006282605 556831109 /nfs/dbraw/zinc/83/11/09/556831109.db2.gz WASRNPBDWRWJTH-QFIPXVFZSA-N 1 2 436.560 3.994 40 0 IHABLO Cc1cnc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)s1 ZINC000019694539 556850637 /nfs/dbraw/zinc/85/06/37/556850637.db2.gz BPGHRIRIJPSNFG-GOSISDBHSA-N 1 2 436.585 3.793 40 0 IHABLO Cc1cnc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)s1 ZINC000019694539 556850641 /nfs/dbraw/zinc/85/06/41/556850641.db2.gz BPGHRIRIJPSNFG-GOSISDBHSA-N 1 2 436.585 3.793 40 0 IHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697888 556855691 /nfs/dbraw/zinc/85/56/91/556855691.db2.gz JRWJFXJOCRJKEC-HXUWFJFHSA-N 1 2 440.565 3.514 40 0 IHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697888 556855694 /nfs/dbraw/zinc/85/56/94/556855694.db2.gz JRWJFXJOCRJKEC-HXUWFJFHSA-N 1 2 440.565 3.514 40 0 IHABLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)c1C ZINC000019762377 556906660 /nfs/dbraw/zinc/90/66/60/556906660.db2.gz XYGRCBXUMGKXER-DEOSSOPVSA-N 1 2 435.572 3.780 40 0 IHABLO CCn1nc(C)c(C[N@H+]2CCO[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)c1C ZINC000019762377 556906662 /nfs/dbraw/zinc/90/66/62/556906662.db2.gz XYGRCBXUMGKXER-DEOSSOPVSA-N 1 2 435.572 3.780 40 0 IHABLO O=C(C[C@@H]1C(=O)N(CCCn2cc[nH+]c2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019819469 556922780 /nfs/dbraw/zinc/92/27/80/556922780.db2.gz AACXJWYHOBGLRE-HXUWFJFHSA-N 1 2 448.914 3.893 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2cn(C)c3ccc(F)cc23)CCO1 ZINC000072370230 556933963 /nfs/dbraw/zinc/93/39/63/556933963.db2.gz BSFGNHQJINHFAU-LJQANCHMSA-N 1 2 438.528 3.860 40 0 IHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2cn(C)c3ccc(F)cc23)CCO1 ZINC000072370230 556933966 /nfs/dbraw/zinc/93/39/66/556933966.db2.gz BSFGNHQJINHFAU-LJQANCHMSA-N 1 2 438.528 3.860 40 0 IHABLO O=C(C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1)Nc1ccc(F)cc1 ZINC000072371239 556938026 /nfs/dbraw/zinc/93/80/26/556938026.db2.gz UEWWNOAHQHBHJM-INIZCTEOSA-N 1 2 426.467 3.737 40 0 IHABLO O=C(C[N@H+]1CC[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1)Nc1ccc(F)cc1 ZINC000072371239 556938029 /nfs/dbraw/zinc/93/80/29/556938029.db2.gz UEWWNOAHQHBHJM-INIZCTEOSA-N 1 2 426.467 3.737 40 0 IHABLO O=C(C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1)Nc1ccc(F)cc1 ZINC000072371240 556938046 /nfs/dbraw/zinc/93/80/46/556938046.db2.gz UEWWNOAHQHBHJM-MRXNPFEDSA-N 1 2 426.467 3.737 40 0 IHABLO O=C(C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1)Nc1ccc(F)cc1 ZINC000072371240 556938049 /nfs/dbraw/zinc/93/80/49/556938049.db2.gz UEWWNOAHQHBHJM-MRXNPFEDSA-N 1 2 426.467 3.737 40 0 IHABLO Cc1ccc(CC(=O)N2C[C@@H](c3cn(C(C)C)c[nH+]3)[C@@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000585107389 557038601 /nfs/dbraw/zinc/03/86/01/557038601.db2.gz UMJXBFUDDSSCHP-HOFKKMOUSA-N 1 2 448.611 3.960 40 0 IHABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)Cc3ccccc3)C[C@]23CCCN(CC2CC2)C3=O)c1 ZINC000585107542 557038961 /nfs/dbraw/zinc/03/89/61/557038961.db2.gz ZKMYCXZGOXXTIE-BKMJKUGQSA-N 1 2 434.584 3.651 40 0 IHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1C[C@@H](c2ccccc2)[C@]2(C1)CCCCC(=O)N2 ZINC000585261699 557196069 /nfs/dbraw/zinc/19/60/69/557196069.db2.gz SBNAIWAFCKPFMX-JYFHCDHNSA-N 1 2 428.536 3.600 40 0 IHABLO CC(C)C[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057670869 557256897 /nfs/dbraw/zinc/25/68/97/557256897.db2.gz FIEYEUZAKGQNKG-JOCHJYFZSA-N 1 2 426.515 3.909 40 0 IHABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499648 557328613 /nfs/dbraw/zinc/32/86/13/557328613.db2.gz VEXZDSNZYKYEEN-FQEVSTJZSA-N 1 2 440.592 3.612 40 0 IHABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499648 557328614 /nfs/dbraw/zinc/32/86/14/557328614.db2.gz VEXZDSNZYKYEEN-FQEVSTJZSA-N 1 2 440.592 3.612 40 0 IHABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccc(C)cc3)cc2c1 ZINC000013511729 557332638 /nfs/dbraw/zinc/33/26/38/557332638.db2.gz COFDEINWZCDKLK-UHFFFAOYSA-N 1 2 448.567 3.765 40 0 IHABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C1CC1 ZINC000223174390 557441500 /nfs/dbraw/zinc/44/15/00/557441500.db2.gz CKIMAFZHCHAHPC-XZOQPEGZSA-N 1 2 439.629 3.530 40 0 IHABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C1CC1 ZINC000223174283 557441558 /nfs/dbraw/zinc/44/15/58/557441558.db2.gz CKIMAFZHCHAHPC-DHIUTWEWSA-N 1 2 439.629 3.530 40 0 IHABLO Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000223937159 557531291 /nfs/dbraw/zinc/53/12/91/557531291.db2.gz PTRSPTLYXCNNTC-UHFFFAOYSA-N 1 2 449.576 3.754 40 0 IHABLO O=C(CCCNc1ncnc2ccccc21)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000257213601 568671311 /nfs/dbraw/zinc/67/13/11/568671311.db2.gz CIGYGITUTFKTIA-OAQYLSRUSA-N 1 2 427.512 3.766 40 0 IHABLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](c3cc(CCOc4cccc(F)c4)n(C)n3)C2)c1C ZINC000257255179 568690966 /nfs/dbraw/zinc/69/09/66/568690966.db2.gz KGMFJIHMSWLLAQ-DEOSSOPVSA-N 1 2 441.551 3.587 40 0 IHABLO CCn1nc(C)c(C[N@H+]2CCO[C@H](c3cc(CCOc4cccc(F)c4)n(C)n3)C2)c1C ZINC000257255179 568690969 /nfs/dbraw/zinc/69/09/69/568690969.db2.gz KGMFJIHMSWLLAQ-DEOSSOPVSA-N 1 2 441.551 3.587 40 0 IHABLO COc1ccc([C@@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)CC[N@@H+]2C)cc1 ZINC000257276881 568700904 /nfs/dbraw/zinc/70/09/04/568700904.db2.gz NVNGORNCZNKOIM-QFIPXVFZSA-N 1 2 428.960 3.912 40 0 IHABLO COc1ccc([C@@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)CC[N@H+]2C)cc1 ZINC000257276881 568700906 /nfs/dbraw/zinc/70/09/06/568700906.db2.gz NVNGORNCZNKOIM-QFIPXVFZSA-N 1 2 428.960 3.912 40 0 IHABLO Cc1ccc[nH+]c1Nc1ccc([C@H]2CN(S(=O)(=O)Cc3cccc(F)c3)CCO2)nc1 ZINC000257284333 568704121 /nfs/dbraw/zinc/70/41/21/568704121.db2.gz PCGJXPBNOACAPO-OAQYLSRUSA-N 1 2 442.516 3.571 40 0 IHABLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1CO ZINC000257284873 568704394 /nfs/dbraw/zinc/70/43/94/568704394.db2.gz PERQONVWZNDDDT-XMMPIXPASA-N 1 2 449.555 3.697 40 0 IHABLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1CO ZINC000257284873 568704398 /nfs/dbraw/zinc/70/43/98/568704398.db2.gz PERQONVWZNDDDT-XMMPIXPASA-N 1 2 449.555 3.697 40 0 IHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(CN3CCOCC3)cc2)n1 ZINC000257286146 568705107 /nfs/dbraw/zinc/70/51/07/568705107.db2.gz PKMFYQUNNJLXFX-QHCPKHFHSA-N 1 2 445.567 3.639 40 0 IHABLO COc1cccc(C[C@H]2CC[C@@H]3CN(C(=O)c4ccccc4C[NH+]4CCOCC4)C[C@H]23)c1 ZINC000257326375 568722777 /nfs/dbraw/zinc/72/27/77/568722777.db2.gz WWZIUGYSZRQMBO-WHSBFGAESA-N 1 2 434.580 3.868 40 0 IHABLO CCn1ncc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)c1C ZINC000257333469 568725731 /nfs/dbraw/zinc/72/57/31/568725731.db2.gz YBSAMXCOFCDZKM-JOCHJYFZSA-N 1 2 429.952 3.783 40 0 IHABLO CCn1ncc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)c1C ZINC000257333469 568725732 /nfs/dbraw/zinc/72/57/32/568725732.db2.gz YBSAMXCOFCDZKM-JOCHJYFZSA-N 1 2 429.952 3.783 40 0 IHABLO COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(C(=O)CCn4cc[nH+]c4)CC3)CO[C@H]21 ZINC000257342897 568729917 /nfs/dbraw/zinc/72/99/17/568729917.db2.gz ZQNHSNLYAYWQDC-NZQKXSOJSA-N 1 2 439.556 3.839 40 0 IHABLO C[C@@H](CO)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329061260 568810761 /nfs/dbraw/zinc/81/07/61/568810761.db2.gz WPWNALWTZKPLQF-VIFPVBQESA-N 1 2 431.256 3.515 40 0 IHABLO CCOC(=O)C1=C(O)[NH+]=C(N2CCCCC2)N2[C@@H]1c1ccccc1O[C@H]2c1ccccc1 ZINC000250657689 569207846 /nfs/dbraw/zinc/20/78/46/569207846.db2.gz CLQLSXXVURXKCC-XJUOHMSHSA-N 1 2 433.508 3.682 40 0 IHABLO COc1cccc(-c2ccc([C@H]3C[N@H+](Cc4ccc5c(c4)n(C)c(=O)n5C)CCO3)nc2)c1 ZINC000019693675 569229060 /nfs/dbraw/zinc/22/90/60/569229060.db2.gz XWNHTGJITWUHFA-RUZDIDTESA-N 1 2 444.535 3.521 40 0 IHABLO COc1cccc(-c2ccc([C@H]3C[N@@H+](Cc4ccc5c(c4)n(C)c(=O)n5C)CCO3)nc2)c1 ZINC000019693675 569229061 /nfs/dbraw/zinc/22/90/61/569229061.db2.gz XWNHTGJITWUHFA-RUZDIDTESA-N 1 2 444.535 3.521 40 0 IHABLO Cc1ccc(NC(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4cccc[nH+]4)C[C@@H]3C2)cc1 ZINC000096251436 193944234 /nfs/dbraw/zinc/94/42/34/193944234.db2.gz RVWOWDRPHWHMOU-LVXARBLLSA-N 1 2 447.583 3.667 40 0 IHABLO CCn1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(=O)c2cc(OC)ccc21 ZINC000022236037 523332329 /nfs/dbraw/zinc/33/23/29/523332329.db2.gz RFILABDZNWEKGR-JXMROGBWSA-N 1 2 431.536 3.501 40 0 IHABLO Cn1cc2c(n1)[C@@H](C(=O)Nc1ccccc1F)C[N@@H+](Cc1cnn(C3CCCCC3)c1)C2 ZINC000072345615 527332828 /nfs/dbraw/zinc/33/28/28/527332828.db2.gz GAAGBVWJDOZPGR-FQEVSTJZSA-N 1 2 436.535 3.999 40 0 IHABLO Cn1cc2c(n1)[C@@H](C(=O)Nc1ccccc1F)C[N@H+](Cc1cnn(C3CCCCC3)c1)C2 ZINC000072345615 527332834 /nfs/dbraw/zinc/33/28/34/527332834.db2.gz GAAGBVWJDOZPGR-FQEVSTJZSA-N 1 2 436.535 3.999 40 0 IHABLO COC(=O)c1ccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000408669183 556054876 /nfs/dbraw/zinc/05/48/76/556054876.db2.gz NCQYFSLMSYJUHO-UHFFFAOYSA-N 1 2 446.503 3.657 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006408915 556086968 /nfs/dbraw/zinc/08/69/68/556086968.db2.gz CRTGYUWGNJSQHR-MBSDFSHPSA-N 1 2 428.540 3.693 40 0 IHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006408915 556086970 /nfs/dbraw/zinc/08/69/70/556086970.db2.gz CRTGYUWGNJSQHR-MBSDFSHPSA-N 1 2 428.540 3.693 40 0 IHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@]2(CN(c3ccccc3)C(=O)O2)CC1 ZINC000257285771 556715595 /nfs/dbraw/zinc/71/55/95/556715595.db2.gz PIUFXHXNWAMTPH-AREMUKBSSA-N 1 2 449.551 3.541 40 0 IHABLO O=C(c1ccc2ccccc2c1)[C@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019366039 556746044 /nfs/dbraw/zinc/74/60/44/556746044.db2.gz CQVAZCMDGXTNBW-FTJBHMTQSA-N 1 2 430.548 3.797 40 0 IHABLO Cc1ccc2cc(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000926194 556753049 /nfs/dbraw/zinc/75/30/49/556753049.db2.gz OMCNWLRIXAQHGJ-UHFFFAOYSA-N 1 2 428.540 3.816 40 0 IHABLO Cc1ccc2cc(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000926194 556753052 /nfs/dbraw/zinc/75/30/52/556753052.db2.gz OMCNWLRIXAQHGJ-UHFFFAOYSA-N 1 2 428.540 3.816 40 0 IHABLO CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000019453901 556764409 /nfs/dbraw/zinc/76/44/09/556764409.db2.gz OVFIQVHKQMVDMY-IBGZPJMESA-N 1 2 445.567 3.666 40 0 IHABLO CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000019501164 556773007 /nfs/dbraw/zinc/77/30/07/556773007.db2.gz LLPGCLUKQOZLIC-GOSISDBHSA-N 1 2 437.588 3.655 40 0 IHABLO CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000019501164 556773009 /nfs/dbraw/zinc/77/30/09/556773009.db2.gz LLPGCLUKQOZLIC-GOSISDBHSA-N 1 2 437.588 3.655 40 0 IHABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)c(=O)[nH]c12 ZINC000006443859 556836656 /nfs/dbraw/zinc/83/66/56/556836656.db2.gz YKKCZADJNDCLCP-QHCPKHFHSA-N 1 2 428.540 3.693 40 0 IHABLO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3c4ccccc4sc3C(N)=O)C2)cc1 ZINC000019697620 556855124 /nfs/dbraw/zinc/85/51/24/556855124.db2.gz IZHLXNKEDKJHSD-LJQANCHMSA-N 1 2 448.548 3.972 40 0 IHABLO COc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3c4ccccc4sc3C(N)=O)C2)cc1 ZINC000019697620 556855127 /nfs/dbraw/zinc/85/51/27/556855127.db2.gz IZHLXNKEDKJHSD-LJQANCHMSA-N 1 2 448.548 3.972 40 0 IHABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3Cc3ccccc3Cl)nc(N(C)C)c2C1 ZINC000019710432 556873163 /nfs/dbraw/zinc/87/31/63/556873163.db2.gz HBVUZAYBQMMHPS-OAQYLSRUSA-N 1 2 427.980 3.828 40 0 IHABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3Cc3ccccc3Cl)nc(N(C)C)c2C1 ZINC000019710432 556873166 /nfs/dbraw/zinc/87/31/66/556873166.db2.gz HBVUZAYBQMMHPS-OAQYLSRUSA-N 1 2 427.980 3.828 40 0 IHABLO CCOCc1cc(C[N@@H+]2CCC[C@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)ccc1OC ZINC000019756146 556899788 /nfs/dbraw/zinc/89/97/88/556899788.db2.gz FJOQCZPHYDRQHR-QFIPXVFZSA-N 1 2 438.572 3.903 40 0 IHABLO CCOCc1cc(C[N@H+]2CCC[C@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)ccc1OC ZINC000019756146 556899790 /nfs/dbraw/zinc/89/97/90/556899790.db2.gz FJOQCZPHYDRQHR-QFIPXVFZSA-N 1 2 438.572 3.903 40 0 IHABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccn2Cc2ccccc2F)C3)CC1 ZINC000072335649 556908405 /nfs/dbraw/zinc/90/84/05/556908405.db2.gz HUVXGZGHHJQOMZ-UHFFFAOYSA-N 1 2 435.547 3.966 40 0 IHABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccn2Cc2ccccc2F)C3)CC1 ZINC000072335649 556908406 /nfs/dbraw/zinc/90/84/06/556908406.db2.gz HUVXGZGHHJQOMZ-UHFFFAOYSA-N 1 2 435.547 3.966 40 0 IHABLO c1coc(-c2nc(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)ncc2-c2cnccn2)c1 ZINC000072338711 556911156 /nfs/dbraw/zinc/91/11/56/556911156.db2.gz NUIJQJZDXISNCM-NRFANRHFSA-N 1 2 428.496 3.679 40 0 IHABLO COCCNC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000072352516 556924444 /nfs/dbraw/zinc/92/44/44/556924444.db2.gz PRYLMMBIKBEAHN-IBGZPJMESA-N 1 2 428.529 3.990 40 0 IHABLO COCCNC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000072352516 556924447 /nfs/dbraw/zinc/92/44/47/556924447.db2.gz PRYLMMBIKBEAHN-IBGZPJMESA-N 1 2 428.529 3.990 40 0 IHABLO CC(C)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000072398765 556970725 /nfs/dbraw/zinc/97/07/25/556970725.db2.gz ZJZWIZBMFPTGAB-GOSISDBHSA-N 1 2 437.588 3.511 40 0 IHABLO CC(C)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000072398765 556970728 /nfs/dbraw/zinc/97/07/28/556970728.db2.gz ZJZWIZBMFPTGAB-GOSISDBHSA-N 1 2 437.588 3.511 40 0 IHABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3cccc(F)c3)C[C@]23CCCN(CC2CC2)C3=O)c1 ZINC000585106565 557040526 /nfs/dbraw/zinc/04/05/26/557040526.db2.gz BIWNEEJZKOZMRZ-PXDATVDWSA-N 1 2 438.547 3.862 40 0 IHABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccsc3)C[C@@]23CCCN(CC2CC2)C3=O)c1 ZINC000585106650 557040604 /nfs/dbraw/zinc/04/06/04/557040604.db2.gz DOWYLJLLBBDEJC-CVDCTZTESA-N 1 2 426.586 3.784 40 0 IHABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](C[C@H]5CC=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000100232704 557249868 /nfs/dbraw/zinc/24/98/68/557249868.db2.gz ZDTAVEDKDONHDY-SFHVURJKSA-N 1 2 437.588 3.655 40 0 IHABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000022929230 557277535 /nfs/dbraw/zinc/27/75/35/557277535.db2.gz GUCFFGAAKAONOZ-JOCHJYFZSA-N 1 2 438.551 3.528 40 0 IHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501022 557324268 /nfs/dbraw/zinc/32/42/68/557324268.db2.gz BJGYYJDXDHBTQN-JOCHJYFZSA-N 1 2 438.576 3.664 40 0 IHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501022 557324272 /nfs/dbraw/zinc/32/42/72/557324272.db2.gz BJGYYJDXDHBTQN-JOCHJYFZSA-N 1 2 438.576 3.664 40 0 IHABLO Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000222576659 557355016 /nfs/dbraw/zinc/35/50/16/557355016.db2.gz LDXNGXQQQIDAMN-HAHDFKILSA-N 1 2 426.476 3.861 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1CC[NH+]1CCOCC1 ZINC000223156496 557439964 /nfs/dbraw/zinc/43/99/64/557439964.db2.gz ZSOCFEBTDRZOAC-XZOQPEGZSA-N 1 2 434.565 3.646 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1CC[NH+]1CCOCC1 ZINC000223163076 557440311 /nfs/dbraw/zinc/44/03/11/557440311.db2.gz URRRCUHBDFATKO-PKTZIBPZSA-N 1 2 439.629 3.693 40 0 IHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1CCC[NH+]1CCOCC1 ZINC000223193292 557444088 /nfs/dbraw/zinc/44/40/88/557444088.db2.gz XMFFNYBQTFQLSM-BJKOFHAPSA-N 1 2 447.608 3.567 40 0 IHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1CCC[NH+]1CCOCC1 ZINC000223206014 557445989 /nfs/dbraw/zinc/44/59/89/557445989.db2.gz YRPHDKCIEBBUQP-DNQXCXABSA-N 1 2 447.608 3.567 40 0 IHABLO CCCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000020150659 557516174 /nfs/dbraw/zinc/51/61/74/557516174.db2.gz ULJQRIQFIWZTKL-BOCITWAFSA-N 1 2 434.536 3.856 40 0 IHABLO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000224422000 557604412 /nfs/dbraw/zinc/60/44/12/557604412.db2.gz AAAHXKPUSYKEBQ-QHCPKHFHSA-N 1 2 436.552 3.796 40 0 IHABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1(c2ccccc2Cl)CCOCC1 ZINC000225577065 557745903 /nfs/dbraw/zinc/74/59/03/557745903.db2.gz NPUYNJYCWFOUAJ-UHFFFAOYSA-N 1 2 444.959 3.738 40 0 IHABLO Cc1nnc(SCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)[nH]1 ZINC000225907006 557790618 /nfs/dbraw/zinc/79/06/18/557790618.db2.gz RRQYAXITOVFULX-AWEZNQCLSA-N 1 2 428.389 3.540 40 0 IHABLO Cc1nnc(SCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)[nH]1 ZINC000225907006 557790620 /nfs/dbraw/zinc/79/06/20/557790620.db2.gz RRQYAXITOVFULX-AWEZNQCLSA-N 1 2 428.389 3.540 40 0 IHABLO OCc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)o1 ZINC000015707273 560096696 /nfs/dbraw/zinc/09/66/96/560096696.db2.gz QHTXBVOLEPEGSG-SFHVURJKSA-N 1 2 429.839 3.637 40 0 biogenic,in-vitro IHABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1Cc1ccc(OC)cc1 ZINC000015707029 560096761 /nfs/dbraw/zinc/09/67/61/560096761.db2.gz CUNUFAGYIBKMCA-NRFANRHFSA-N 1 2 425.916 3.693 40 0 biogenic,in-vitro IHABLO CC1=C(C(N)=O)[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N2NC=NC2=[NH+]1 ZINC000000936892 568638763 /nfs/dbraw/zinc/63/87/63/568638763.db2.gz NUBWOPZCWWAWBE-SFHVURJKSA-N 1 2 430.295 3.591 40 0 IHABLO COc1ccc(C(=O)N2CCC[C@@](C)(c3cc(N)nc(C)[nH+]3)C2)cc1OCc1ccccn1 ZINC000257204731 568667305 /nfs/dbraw/zinc/66/73/05/568667305.db2.gz AWBHGDXSQOXYTI-RUZDIDTESA-N 1 2 447.539 3.544 40 0 IHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 ZINC000257236154 568681841 /nfs/dbraw/zinc/68/18/41/568681841.db2.gz HAZWRMGUQFUOFG-OAQYLSRUSA-N 1 2 426.520 3.811 40 0 IHABLO Cc1cccc(Nc2cccc([C@@H]3CN(C(=O)C[N@@H+](C)Cc4ccccc4F)CCO3)n2)n1 ZINC000257246413 568686573 /nfs/dbraw/zinc/68/65/73/568686573.db2.gz IUAFYOKUBPZDJD-QFIPXVFZSA-N 1 2 449.530 3.700 40 0 IHABLO Cc1cccc(Nc2cccc([C@@H]3CN(C(=O)C[N@H+](C)Cc4ccccc4F)CCO3)n2)n1 ZINC000257246413 568686576 /nfs/dbraw/zinc/68/65/76/568686576.db2.gz IUAFYOKUBPZDJD-QFIPXVFZSA-N 1 2 449.530 3.700 40 0 IHABLO Cc1ccc(OC(C)(C)C(=O)N2CC[C@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)cc1C ZINC000257249812 568688524 /nfs/dbraw/zinc/68/85/24/568688524.db2.gz JJWBCBJITSVNIN-IBGZPJMESA-N 1 2 431.540 3.911 40 0 IHABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@H+](Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000257251203 568688963 /nfs/dbraw/zinc/68/89/63/568688963.db2.gz JPVOGJMZGBUODT-HXUWFJFHSA-N 1 2 442.865 3.884 40 0 IHABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000257251203 568688967 /nfs/dbraw/zinc/68/89/67/568688967.db2.gz JPVOGJMZGBUODT-HXUWFJFHSA-N 1 2 442.865 3.884 40 0 IHABLO CCCN1CC[N@H+](Cc2cccnc2N(C)C)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000257258395 568692503 /nfs/dbraw/zinc/69/25/03/568692503.db2.gz KTRIWDSYSFKRIV-VWLOTQADSA-N 1 2 443.595 3.875 40 0 IHABLO CCCN1CC[N@@H+](Cc2cccnc2N(C)C)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000257258395 568692504 /nfs/dbraw/zinc/69/25/04/568692504.db2.gz KTRIWDSYSFKRIV-VWLOTQADSA-N 1 2 443.595 3.875 40 0 IHABLO Cc1ccc[nH+]c1Nc1ccc([C@@H]2CN(S(=O)(=O)Cc3cccc(F)c3)CCO2)nc1 ZINC000257284332 568704159 /nfs/dbraw/zinc/70/41/59/568704159.db2.gz PCGJXPBNOACAPO-NRFANRHFSA-N 1 2 442.516 3.571 40 0 IHABLO CN(C(=O)C1(C)CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257307148 568714370 /nfs/dbraw/zinc/71/43/70/568714370.db2.gz SXJYMKBSVNPYQD-LJQANCHMSA-N 1 2 438.547 3.590 40 0 IHABLO COc1cccc(C(=O)N2CCC[C@](C)(c3cc(N)nc(C)[nH+]3)C2)c1OCc1ccccn1 ZINC000257340432 568728785 /nfs/dbraw/zinc/72/87/85/568728785.db2.gz ZGCDOSWDJKODII-VWLOTQADSA-N 1 2 447.539 3.544 40 0 IHABLO Cc1occc1C(=O)N1CCN(CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)[nH+]2)C1 ZINC000306128393 568765134 /nfs/dbraw/zinc/76/51/34/568765134.db2.gz GZEBAEUKBIKTOO-QFIPXVFZSA-N 1 2 433.556 3.745 40 0 IHABLO CCCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000245230556 569205485 /nfs/dbraw/zinc/20/54/85/569205485.db2.gz ULJQRIQFIWZTKL-IFOBJOEFSA-N 1 2 434.536 3.856 40 0 IHABLO Cc1c2ccccc2oc1C[N@@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692969 569228488 /nfs/dbraw/zinc/22/84/88/569228488.db2.gz VDZGHWPVZXILOG-JOCHJYFZSA-N 1 2 430.512 3.628 40 0 IHABLO Cc1c2ccccc2oc1C[N@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692969 569228489 /nfs/dbraw/zinc/22/84/89/569228489.db2.gz VDZGHWPVZXILOG-JOCHJYFZSA-N 1 2 430.512 3.628 40 0 IHABLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)n[nH]c1C ZINC000019764656 569238448 /nfs/dbraw/zinc/23/84/48/569238448.db2.gz ARHXMYZCAIWVEC-QFIPXVFZSA-N 1 2 448.571 3.550 40 0 IHABLO COc1ccc(C[N@H+]2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)n[nH]c1C ZINC000019764656 569238449 /nfs/dbraw/zinc/23/84/49/569238449.db2.gz ARHXMYZCAIWVEC-QFIPXVFZSA-N 1 2 448.571 3.550 40 0 IHABLO Cc1nc([C@@H]2CCCCN2C(=O)CCn2c3ccccc3[nH+]c2C(C)C)ncc1C(N)=O ZINC000019764545 569238467 /nfs/dbraw/zinc/23/84/67/569238467.db2.gz ZCSHCBUVOFLNHR-FQEVSTJZSA-N 1 2 434.544 3.501 40 0 IHABLO