smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000000694964 551527996 /nfs/dbraw/zinc/52/79/96/551527996.db2.gz DDZWNQLNRAKZCC-UHFFFAOYSA-N 1 2 515.477 4.266 50 0 KIAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2cc1OC ZINC000001061793 551601156 /nfs/dbraw/zinc/60/11/56/551601156.db2.gz JVJARODDVFNCMD-UHFFFAOYSA-N 1 2 565.648 4.363 50 0 biogenic KIAALO C[NH+]1CCN(C(=O)c2cc(I)ccc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000001129464 551615415 /nfs/dbraw/zinc/61/54/15/551615415.db2.gz QXRTWIOBWDGZPZ-UHFFFAOYSA-N 1 2 518.182 4.238 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2CN2C(=O)c3ccccc3C2=O)c2cc(C)ccc2n1C ZINC000001267678 551634067 /nfs/dbraw/zinc/63/40/67/551634067.db2.gz HYAYPANTJVNIBQ-AREMUKBSSA-N 1 2 550.615 4.107 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2CN2C(=O)c3ccccc3C2=O)c2cc(C)ccc2n1C ZINC000001267678 551634066 /nfs/dbraw/zinc/63/40/66/551634066.db2.gz HYAYPANTJVNIBQ-AREMUKBSSA-N 1 2 550.615 4.107 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2CN2C(=O)c3ccccc3C2=O)c2cc(C)ccc2n1C ZINC000001267680 551633994 /nfs/dbraw/zinc/63/39/94/551633994.db2.gz HYAYPANTJVNIBQ-SANMLTNESA-N 1 2 550.615 4.107 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2CN2C(=O)c3ccccc3C2=O)c2cc(C)ccc2n1C ZINC000001267680 551633992 /nfs/dbraw/zinc/63/39/92/551633992.db2.gz HYAYPANTJVNIBQ-SANMLTNESA-N 1 2 550.615 4.107 50 0 KIAALO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001271207 551635015 /nfs/dbraw/zinc/63/50/15/551635015.db2.gz DETVULHEHMFFCV-HSZRJFAPSA-N 1 2 557.006 4.442 50 0 KIAALO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001271207 551635014 /nfs/dbraw/zinc/63/50/14/551635014.db2.gz DETVULHEHMFFCV-HSZRJFAPSA-N 1 2 557.006 4.442 50 0 KIAALO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001271208 551634987 /nfs/dbraw/zinc/63/49/87/551634987.db2.gz DETVULHEHMFFCV-QHCPKHFHSA-N 1 2 557.006 4.442 50 0 KIAALO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001271208 551634986 /nfs/dbraw/zinc/63/49/86/551634986.db2.gz DETVULHEHMFFCV-QHCPKHFHSA-N 1 2 557.006 4.442 50 0 KIAALO CCOC(=O)c1c(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2CN2C(=O)c3ccccc3C2=O)c2cc(OC)ccc2n1C ZINC000001271234 551635009 /nfs/dbraw/zinc/63/50/09/551635009.db2.gz RQDBWHXRQHYAQS-HHHXNRCGSA-N 1 2 580.641 4.198 50 0 KIAALO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2CN2C(=O)c3ccccc3C2=O)c2cc(OC)ccc2n1C ZINC000001271234 551635008 /nfs/dbraw/zinc/63/50/08/551635008.db2.gz RQDBWHXRQHYAQS-HHHXNRCGSA-N 1 2 580.641 4.198 50 0 KIAALO CCOC(=O)c1c(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2CN2C(=O)c3ccccc3C2=O)c2cc(OC)ccc2n1C ZINC000001271236 551635030 /nfs/dbraw/zinc/63/50/30/551635030.db2.gz RQDBWHXRQHYAQS-MHZLTWQESA-N 1 2 580.641 4.198 50 0 KIAALO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2CN2C(=O)c3ccccc3C2=O)c2cc(OC)ccc2n1C ZINC000001271236 551635029 /nfs/dbraw/zinc/63/50/29/551635029.db2.gz RQDBWHXRQHYAQS-MHZLTWQESA-N 1 2 580.641 4.198 50 0 KIAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001292345 551637076 /nfs/dbraw/zinc/63/70/76/551637076.db2.gz UPRTXZCKYPCEIR-RUZDIDTESA-N 1 2 554.578 4.318 50 0 KIAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001292345 551637073 /nfs/dbraw/zinc/63/70/73/551637073.db2.gz UPRTXZCKYPCEIR-RUZDIDTESA-N 1 2 554.578 4.318 50 0 KIAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001292347 551636986 /nfs/dbraw/zinc/63/69/86/551636986.db2.gz UPRTXZCKYPCEIR-VWLOTQADSA-N 1 2 554.578 4.318 50 0 KIAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001292347 551636983 /nfs/dbraw/zinc/63/69/83/551636983.db2.gz UPRTXZCKYPCEIR-VWLOTQADSA-N 1 2 554.578 4.318 50 0 KIAALO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001314936 551640405 /nfs/dbraw/zinc/64/04/05/551640405.db2.gz WOOMBWFWNKSQIE-XMMPIXPASA-N 1 2 557.006 4.442 50 0 KIAALO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001314936 551640401 /nfs/dbraw/zinc/64/04/01/551640401.db2.gz WOOMBWFWNKSQIE-XMMPIXPASA-N 1 2 557.006 4.442 50 0 KIAALO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001314938 551640510 /nfs/dbraw/zinc/64/05/10/551640510.db2.gz WOOMBWFWNKSQIE-DEOSSOPVSA-N 1 2 557.006 4.442 50 0 KIAALO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001314938 551640507 /nfs/dbraw/zinc/64/05/07/551640507.db2.gz WOOMBWFWNKSQIE-DEOSSOPVSA-N 1 2 557.006 4.442 50 0 KIAALO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000001319033 551641006 /nfs/dbraw/zinc/64/10/06/551641006.db2.gz BPRFFUXYKBBLED-KECSPFHLSA-N 1 2 584.673 4.199 50 0 biogenic KIAALO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000001319033 551641005 /nfs/dbraw/zinc/64/10/05/551641005.db2.gz BPRFFUXYKBBLED-KECSPFHLSA-N 1 2 584.673 4.199 50 0 biogenic KIAALO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000001319034 551641074 /nfs/dbraw/zinc/64/10/74/551641074.db2.gz BPRFFUXYKBBLED-CBUPUIKESA-N 1 2 584.673 4.199 50 0 biogenic KIAALO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000001319034 551641072 /nfs/dbraw/zinc/64/10/72/551641072.db2.gz BPRFFUXYKBBLED-CBUPUIKESA-N 1 2 584.673 4.199 50 0 biogenic KIAALO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 ZINC000001388153 551660725 /nfs/dbraw/zinc/66/07/25/551660725.db2.gz QVEVVQKWXCVXAN-DFIMXKNXSA-N 1 2 538.522 4.319 50 0 KIAALO CCOC(=O)c1sc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c(C(=O)OCC)c1C ZINC000001788072 551701128 /nfs/dbraw/zinc/70/11/28/551701128.db2.gz ABCRJIUYFTVOEJ-UHFFFAOYSA-N 1 2 525.612 4.270 50 0 KIAALO c1ccc(CSc2nc3ccc(Nc4nc(N5CCOCC5)[nH+]c(N5CCOCC5)n4)cc3s2)cc1 ZINC000002233288 551797955 /nfs/dbraw/zinc/79/79/55/551797955.db2.gz YSPOXTPGXKNUFA-UHFFFAOYSA-N 1 2 521.672 4.190 50 0 KIAALO O=S(=O)(Nc1nc2ccccc2nc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 ZINC000002236982 552082941 /nfs/dbraw/zinc/08/29/41/552082941.db2.gz VFSSFLKECIYGEF-UHFFFAOYSA-N 1 2 538.029 4.135 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000002358347 552101865 /nfs/dbraw/zinc/10/18/65/552101865.db2.gz ZXNGDFHZTPSPQZ-QABSLLFYSA-N 1 2 528.671 4.435 50 0 biogenic,in-vitro KIAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000002358347 552101863 /nfs/dbraw/zinc/10/18/63/552101863.db2.gz ZXNGDFHZTPSPQZ-QABSLLFYSA-N 1 2 528.671 4.435 50 0 biogenic,in-vitro KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(OC)cc1OC ZINC000002362431 552102678 /nfs/dbraw/zinc/10/26/78/552102678.db2.gz LPCJPGGIKRJCRE-NFCJYOSASA-N 1 2 516.660 4.476 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(OC)cc1OC ZINC000002362431 552102676 /nfs/dbraw/zinc/10/26/76/552102676.db2.gz LPCJPGGIKRJCRE-NFCJYOSASA-N 1 2 516.660 4.476 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000002406337 552112502 /nfs/dbraw/zinc/11/25/02/552112502.db2.gz YJKIYAQWHRSXGB-UUPLDMHLSA-N 1 2 526.655 4.449 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000002406337 552112500 /nfs/dbraw/zinc/11/25/00/552112500.db2.gz YJKIYAQWHRSXGB-UUPLDMHLSA-N 1 2 526.655 4.449 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000002412210 552113931 /nfs/dbraw/zinc/11/39/31/552113931.db2.gz HVZPAEPAOHVRQZ-SUWCGCSTSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000002412210 552113928 /nfs/dbraw/zinc/11/39/28/552113928.db2.gz HVZPAEPAOHVRQZ-SUWCGCSTSA-N 1 2 521.198 4.187 50 0 KIAALO O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000002653739 552148007 /nfs/dbraw/zinc/14/80/07/552148007.db2.gz MORSPMPKXASBMF-LJQANCHMSA-N 1 2 528.980 4.258 50 0 KIAALO O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000002653740 552148004 /nfs/dbraw/zinc/14/80/04/552148004.db2.gz MORSPMPKXASBMF-IBGZPJMESA-N 1 2 528.980 4.258 50 0 KIAALO O=c1nc(CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCOCC2)[nH]c2scc(-c3ccccc3)c21 ZINC000002659003 552149959 /nfs/dbraw/zinc/14/99/59/552149959.db2.gz RVJIOSNFCBMWNI-UHFFFAOYSA-N 1 2 545.690 4.376 50 0 KIAALO O=S(=O)(c1ccccc1)c1cnc2cc3c(cc2c1N1CC[NH+](Cc2ccccc2)CC1)OCCO3 ZINC000002693059 552158780 /nfs/dbraw/zinc/15/87/80/552158780.db2.gz NBMHMKSZQZAAEO-UHFFFAOYSA-N 1 2 501.608 4.161 50 0 KIAALO CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3c4cc(Br)ccc4n(C)c3n1)C[N@H+](C)CC2 ZINC000002751028 552175686 /nfs/dbraw/zinc/17/56/86/552175686.db2.gz VAZNTYFUPMPKDD-UHFFFAOYSA-N 1 2 575.514 4.236 50 0 KIAALO CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3c4cc(Br)ccc4n(C)c3n1)C[N@@H+](C)CC2 ZINC000002751028 552175685 /nfs/dbraw/zinc/17/56/85/552175685.db2.gz VAZNTYFUPMPKDD-UHFFFAOYSA-N 1 2 575.514 4.236 50 0 KIAALO Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc(C)nc(N3CCN(c4cccc[nH+]4)CC3)c12 ZINC000002911877 552214890 /nfs/dbraw/zinc/21/48/90/552214890.db2.gz BNVNWOHPYBQSNL-UHFFFAOYSA-N 1 2 502.600 4.053 50 0 KIAALO CCNc1nc(N2n3c(=O)c4c(nc3SC[C@]2(O)c2ccc(Cl)cc2)sc2c4CCCC2)nc(NCC)[nH+]1 ZINC000002921900 552220920 /nfs/dbraw/zinc/22/09/20/552220920.db2.gz CBQVEBUBLOECBE-VWLOTQADSA-N 1 2 571.132 4.260 50 0 KIAALO CCNc1nc(N2n3c(=O)c4c(nc3SC[C@@]2(O)c2ccc(Cl)cc2)sc2c4CCCC2)nc(NCC)[nH+]1 ZINC000002921902 552220956 /nfs/dbraw/zinc/22/09/56/552220956.db2.gz CBQVEBUBLOECBE-RUZDIDTESA-N 1 2 571.132 4.260 50 0 KIAALO CC[N@@H+](CCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc21)c1cccc(C)c1 ZINC000002943967 552227984 /nfs/dbraw/zinc/22/79/84/552227984.db2.gz SSDBGIVPIZNNRK-UHFFFAOYSA-N 1 2 500.599 4.358 50 0 KIAALO CC[N@H+](CCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc21)c1cccc(C)c1 ZINC000002943967 552227982 /nfs/dbraw/zinc/22/79/82/552227982.db2.gz SSDBGIVPIZNNRK-UHFFFAOYSA-N 1 2 500.599 4.358 50 0 KIAALO O=C(c1cccc(-n2c(=O)c3ccc(Cl)cc3[nH]c2=S)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000002971283 552244182 /nfs/dbraw/zinc/24/41/82/552244182.db2.gz WHRVBIMRLFSPMV-UHFFFAOYSA-N 1 2 535.025 4.388 50 0 KIAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000003006873 552254295 /nfs/dbraw/zinc/25/42/95/552254295.db2.gz PUEJBXVPNGGUOX-UHFFFAOYSA-N 1 2 521.705 4.078 50 0 KIAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CC[N@H+](C)C2 ZINC000003006873 552254294 /nfs/dbraw/zinc/25/42/94/552254294.db2.gz PUEJBXVPNGGUOX-UHFFFAOYSA-N 1 2 521.705 4.078 50 0 KIAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000003006903 552254319 /nfs/dbraw/zinc/25/43/19/552254319.db2.gz XAFPVKXHUDGTMT-UHFFFAOYSA-N 1 2 535.732 4.468 50 0 KIAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CC[N@H+](C)C2 ZINC000003006903 552254318 /nfs/dbraw/zinc/25/43/18/552254318.db2.gz XAFPVKXHUDGTMT-UHFFFAOYSA-N 1 2 535.732 4.468 50 0 KIAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000003006910 552254282 /nfs/dbraw/zinc/25/42/82/552254282.db2.gz GDSCFHSROYDCDO-UHFFFAOYSA-N 1 2 519.689 4.118 50 0 KIAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CC[N@H+](C)C2 ZINC000003006910 552254280 /nfs/dbraw/zinc/25/42/80/552254280.db2.gz GDSCFHSROYDCDO-UHFFFAOYSA-N 1 2 519.689 4.118 50 0 KIAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CC[N@@H+](C)C2 ZINC000003006920 552254347 /nfs/dbraw/zinc/25/43/47/552254347.db2.gz ZEIRJNPOLXHFJA-UHFFFAOYSA-N 1 2 539.679 4.307 50 0 KIAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CC[N@H+](C)C2 ZINC000003006920 552254345 /nfs/dbraw/zinc/25/43/45/552254345.db2.gz ZEIRJNPOLXHFJA-UHFFFAOYSA-N 1 2 539.679 4.307 50 0 KIAALO O=C(C[NH2+]Cc1ccccc1Cl)CSc1nc2n[nH]cc2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000003019215 552263097 /nfs/dbraw/zinc/26/30/97/552263097.db2.gz COFVJIJOHVKUMM-UHFFFAOYSA-N 1 2 507.925 4.232 50 0 KIAALO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000003037788 552272026 /nfs/dbraw/zinc/27/20/26/552272026.db2.gz NWFNILVZLDNHMW-AREMUKBSSA-N 1 2 536.430 4.007 50 0 KIAALO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000003037792 552271984 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O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000008597730 553093793 /nfs/dbraw/zinc/09/37/93/553093793.db2.gz WSXJSCXGEBTFBO-UHFFFAOYSA-N 1 2 556.619 4.176 50 0 KIAALO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4cccc[nH+]4)CC3)cnn2-c2ccccc2)CC1 ZINC000008597765 553094081 /nfs/dbraw/zinc/09/40/81/553094081.db2.gz UTHTXYKVBIIOCB-UHFFFAOYSA-N 1 2 516.646 4.344 50 0 KIAALO CC[NH+]1CCN(C(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000008597836 553094177 /nfs/dbraw/zinc/09/41/77/553094177.db2.gz UTQWNXWWUZRGDH-PSXMRANNSA-N 1 2 501.652 4.408 50 0 KIAALO CC[NH+]1CCN(C(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000008597837 553094089 /nfs/dbraw/zinc/09/40/89/553094089.db2.gz UTQWNXWWUZRGDH-BHVANESWSA-N 1 2 501.652 4.408 50 0 KIAALO O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000008597900 553094323 /nfs/dbraw/zinc/09/43/23/553094323.db2.gz RYZCWMNIUPLBOX-UHFFFAOYSA-N 1 2 556.619 4.176 50 0 KIAALO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4cccc[nH+]4)CC3)cnn2-c2cccc(F)c2)CC1 ZINC000008597955 553094663 /nfs/dbraw/zinc/09/46/63/553094663.db2.gz LWOBSDNGTPOQON-UHFFFAOYSA-N 1 2 534.636 4.483 50 0 KIAALO O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000008598154 553094845 /nfs/dbraw/zinc/09/48/45/553094845.db2.gz OYJLTENYKWJYGW-UHFFFAOYSA-N 1 2 538.629 4.037 50 0 KIAALO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000008667043 553109786 /nfs/dbraw/zinc/10/97/86/553109786.db2.gz UFQFZVSMZLSEHL-UHFFFAOYSA-N 1 2 559.088 4.473 50 0 KIAALO COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000008670631 561706538 /nfs/dbraw/zinc/70/65/38/561706538.db2.gz IHGRDDAMHPPGJJ-SKCUWOTOSA-N 1 2 502.567 4.001 50 0 KIAALO COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000008670631 561706537 /nfs/dbraw/zinc/70/65/37/561706537.db2.gz IHGRDDAMHPPGJJ-SKCUWOTOSA-N 1 2 502.567 4.001 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000008682520 553112586 /nfs/dbraw/zinc/11/25/86/553112586.db2.gz UELADTJVDCZMTL-WMVAVLGLSA-N 1 2 516.660 4.476 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000008682520 553112583 /nfs/dbraw/zinc/11/25/83/553112583.db2.gz UELADTJVDCZMTL-WMVAVLGLSA-N 1 2 516.660 4.476 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000008684643 553113481 /nfs/dbraw/zinc/11/34/81/553113481.db2.gz LPCJPGGIKRJCRE-WMVAVLGLSA-N 1 2 516.660 4.476 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000008684643 553113478 /nfs/dbraw/zinc/11/34/78/553113478.db2.gz LPCJPGGIKRJCRE-WMVAVLGLSA-N 1 2 516.660 4.476 50 0 KIAALO O=C(CSc1nc2ccc(Nc3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)cc2s1)NCc1ccco1 ZINC000008706731 553125834 /nfs/dbraw/zinc/12/58/34/553125834.db2.gz NLRRMYLAONBHPG-UHFFFAOYSA-N 1 2 536.687 4.427 50 0 KIAALO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000008740276 553132159 /nfs/dbraw/zinc/13/21/59/553132159.db2.gz QTBJVSGYVIWCOB-FQYODNLLSA-N 1 2 538.689 4.151 50 0 biogenic KIAALO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000008740276 553132158 /nfs/dbraw/zinc/13/21/58/553132158.db2.gz QTBJVSGYVIWCOB-FQYODNLLSA-N 1 2 538.689 4.151 50 0 biogenic KIAALO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000008740277 553132153 /nfs/dbraw/zinc/13/21/53/553132153.db2.gz QTBJVSGYVIWCOB-CSVHQMQCSA-N 1 2 538.689 4.151 50 0 biogenic KIAALO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000008740277 553132151 /nfs/dbraw/zinc/13/21/51/553132151.db2.gz QTBJVSGYVIWCOB-CSVHQMQCSA-N 1 2 538.689 4.151 50 0 biogenic KIAALO CCCC[N@@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21)c1ccccc1 ZINC000008811511 553149300 /nfs/dbraw/zinc/14/93/00/553149300.db2.gz WMSZWWKXDFBCBB-UHFFFAOYSA-N 1 2 524.687 4.129 50 0 KIAALO CCCC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21)c1ccccc1 ZINC000008811511 553149298 /nfs/dbraw/zinc/14/92/98/553149298.db2.gz WMSZWWKXDFBCBB-UHFFFAOYSA-N 1 2 524.687 4.129 50 0 KIAALO CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCC[N@@H+](CC)c3cccc(C)c3)c2c1 ZINC000008811963 553149367 /nfs/dbraw/zinc/14/93/67/553149367.db2.gz BCTRIAKKHSTFII-UHFFFAOYSA-N 1 2 526.703 4.294 50 0 KIAALO CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCC[N@H+](CC)c3cccc(C)c3)c2c1 ZINC000008811963 553149365 /nfs/dbraw/zinc/14/93/65/553149365.db2.gz BCTRIAKKHSTFII-UHFFFAOYSA-N 1 2 526.703 4.294 50 0 KIAALO CC[N@@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21)c1cccc(C)c1 ZINC000008811971 553149261 /nfs/dbraw/zinc/14/92/61/553149261.db2.gz KFGWGKHMBOOACO-UHFFFAOYSA-N 1 2 524.687 4.048 50 0 KIAALO CC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21)c1cccc(C)c1 ZINC000008811971 553149257 /nfs/dbraw/zinc/14/92/57/553149257.db2.gz KFGWGKHMBOOACO-UHFFFAOYSA-N 1 2 524.687 4.048 50 0 KIAALO CC[N@@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc21)c1cccc(C)c1 ZINC000008812122 553149611 /nfs/dbraw/zinc/14/96/11/553149611.db2.gz UQRYRPFGUUOTHA-NRFANRHFSA-N 1 2 524.687 4.046 50 0 KIAALO CC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc21)c1cccc(C)c1 ZINC000008812122 553149610 /nfs/dbraw/zinc/14/96/10/553149610.db2.gz UQRYRPFGUUOTHA-NRFANRHFSA-N 1 2 524.687 4.046 50 0 KIAALO COc1ccc(CCNC(=O)c2c(N)n(-c3ccc([NH+](C)C)cc3)c3nc4ccccc4nc32)cc1OC ZINC000008871067 553171715 /nfs/dbraw/zinc/17/17/15/553171715.db2.gz XXKOUIHOILQRKA-UHFFFAOYSA-N 1 2 510.598 4.212 50 0 KIAALO Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCCCn3cc[nH+]c3)s2)cc1 ZINC000009184792 553216822 /nfs/dbraw/zinc/21/68/22/553216822.db2.gz PEFLLFKQTJGDED-UHFFFAOYSA-N 1 2 516.670 4.124 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000009216456 553221682 /nfs/dbraw/zinc/22/16/82/553221682.db2.gz YJKIYAQWHRSXGB-OKMGNEIESA-N 1 2 526.655 4.449 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000009216456 553221679 /nfs/dbraw/zinc/22/16/79/553221679.db2.gz YJKIYAQWHRSXGB-OKMGNEIESA-N 1 2 526.655 4.449 50 0 KIAALO C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CC[NH+]3CCOCC3)c2)C1 ZINC000009292113 553234882 /nfs/dbraw/zinc/23/48/82/553234882.db2.gz KJFZEPIKEFMRRB-MWHYSOGASA-N 1 2 526.728 4.202 50 0 KIAALO C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CC[NH+]3CCOCC3)c2)C1 ZINC000009292115 553234837 /nfs/dbraw/zinc/23/48/37/553234837.db2.gz KJFZEPIKEFMRRB-HEIIZWRGSA-N 1 2 526.728 4.202 50 0 KIAALO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000009348298 553244637 /nfs/dbraw/zinc/24/46/37/553244637.db2.gz QITCBHSOEKLXAA-XDZXDJIYSA-N 1 2 507.546 4.052 50 0 KIAALO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000009348298 553244636 /nfs/dbraw/zinc/24/46/36/553244636.db2.gz QITCBHSOEKLXAA-XDZXDJIYSA-N 1 2 507.546 4.052 50 0 KIAALO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000009348302 553244612 /nfs/dbraw/zinc/24/46/12/553244612.db2.gz QITCBHSOEKLXAA-CWTOASCOSA-N 1 2 507.546 4.052 50 0 KIAALO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000009348302 553244610 /nfs/dbraw/zinc/24/46/10/553244610.db2.gz QITCBHSOEKLXAA-CWTOASCOSA-N 1 2 507.546 4.052 50 0 KIAALO Cc1cccc(S(=O)(=O)c2cn(Cc3ccccc3)c3cc(N4CC[NH+](C)CC4)c(F)cc3c2=O)c1 ZINC000009435612 553264133 /nfs/dbraw/zinc/26/41/33/553264133.db2.gz VOTVFVJLVCWMQG-UHFFFAOYSA-N 1 2 505.615 4.082 50 0 KIAALO Cn1c2nc(C[NH+]3CCC(Cc4ccccc4)CC3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000009489514 553273259 /nfs/dbraw/zinc/27/32/59/553273259.db2.gz ORDRXIHWPGTFEI-UHFFFAOYSA-N 1 2 526.468 4.244 50 0 KIAALO COc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2NCc2ccccc2Cl)c1 ZINC000009490095 553273512 /nfs/dbraw/zinc/27/35/12/553273512.db2.gz XLLSITNEHYVTAJ-UHFFFAOYSA-N 1 2 529.062 4.149 50 0 KIAALO Cc1ccc(C)c(CSC[C@H]2Nc3ccc(C(=O)N4CCN(c5cccc[nH+]5)CC4)cc3NC2=O)c1 ZINC000009505453 553275789 /nfs/dbraw/zinc/27/57/89/553275789.db2.gz NGEVNYZMTFLHBE-RUZDIDTESA-N 1 2 501.656 4.327 50 0 KIAALO Cc1ccc(C)c(CSC[C@@H]2Nc3ccc(C(=O)N4CCN(c5cccc[nH+]5)CC4)cc3NC2=O)c1 ZINC000009505457 553275718 /nfs/dbraw/zinc/27/57/18/553275718.db2.gz NGEVNYZMTFLHBE-VWLOTQADSA-N 1 2 501.656 4.327 50 0 KIAALO CCNc1cc(C)[nH+]c(Nc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)n1 ZINC000009572436 553281332 /nfs/dbraw/zinc/28/13/32/553281332.db2.gz TZCUGANEWRBDTC-UHFFFAOYSA-N 1 2 509.373 4.366 50 0 KIAALO COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(Nc2nc(N3CCOCC3)cc(C)[nH+]2)cc1 ZINC000009572493 553281440 /nfs/dbraw/zinc/28/14/40/553281440.db2.gz SCTXXBAJYCCDOS-UHFFFAOYSA-N 1 2 504.012 4.136 50 0 KIAALO Cn1c2nc(C[NH+]3CCC(Cc4ccccc4)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000009692322 553297911 /nfs/dbraw/zinc/29/79/11/553297911.db2.gz SGTFZSRNAOIJPF-UHFFFAOYSA-N 1 2 526.468 4.244 50 0 KIAALO CCOC(=O)N1CCC(NC(=O)CCC(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)CC1 ZINC000009776829 553306343 /nfs/dbraw/zinc/30/63/43/553306343.db2.gz CNRKOCCQESJFJV-UHFFFAOYSA-N 1 2 509.651 4.235 50 0 KIAALO COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009834780 553310120 /nfs/dbraw/zinc/31/01/20/553310120.db2.gz VHGNXPIFFZCJGT-UHFFFAOYSA-N 1 2 503.624 4.407 50 0 KIAALO COc1cc2ncc(S(=O)(=O)c3ccccc3)c(N3CC[NH+](Cc4ccccc4)CC3)c2cc1OC ZINC000009969384 553322221 /nfs/dbraw/zinc/32/22/21/553322221.db2.gz XPXJJUXISXJQAR-UHFFFAOYSA-N 1 2 503.624 4.407 50 0 KIAALO Cc1c2c(=O)n(-c3ccccc3)n(Cc3ccc(Br)cc3)c2cc(=O)n1CCc1c[nH]c[nH+]1 ZINC000009972285 553323069 /nfs/dbraw/zinc/32/30/69/553323069.db2.gz CRYMTXCBCASIGU-UHFFFAOYSA-N 1 2 504.388 4.039 50 0 KIAALO Cc1c2c(=O)n(-c3ccccc3)n(Cc3ccc(Br)cc3)c2cc(=O)n1CCc1c[nH+]c[nH]1 ZINC000009972285 553323067 /nfs/dbraw/zinc/32/30/67/553323067.db2.gz CRYMTXCBCASIGU-UHFFFAOYSA-N 1 2 504.388 4.039 50 0 KIAALO COc1ccc(OC)c(NC(=O)c2sc3nc(C)nc(N4CCN(c5cccc[nH+]5)CC4)c3c2C)c1 ZINC000010013216 553325841 /nfs/dbraw/zinc/32/58/41/553325841.db2.gz BGMPJBFXYFFIFG-UHFFFAOYSA-N 1 2 504.616 4.299 50 0 KIAALO CCOC(=O)c1ccccc1NC(=O)c1sc2nc(C)nc(N3CCN(c4cccc[nH+]4)CC3)c2c1C ZINC000010013217 553325821 /nfs/dbraw/zinc/32/58/21/553325821.db2.gz QOPQIWHXSUDWPW-UHFFFAOYSA-N 1 2 516.627 4.459 50 0 KIAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](Cc3cccc(OC)c3OC)C2)cc1 ZINC000011784618 553342756 /nfs/dbraw/zinc/34/27/56/553342756.db2.gz XOHVNNVUQLYMKF-RPBOFIJWSA-N 1 2 532.666 4.412 50 0 KIAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](Cc3cccc(OC)c3OC)C2)cc1 ZINC000011784618 553342755 /nfs/dbraw/zinc/34/27/55/553342755.db2.gz XOHVNNVUQLYMKF-RPBOFIJWSA-N 1 2 532.666 4.412 50 0 KIAALO O=S(=O)(c1ccccc1OC(F)(F)F)N(Cc1cccc(OCC[NH+]2CCOCC2)c1)Cc1ccccn1 ZINC000011790838 553343278 /nfs/dbraw/zinc/34/32/78/553343278.db2.gz MRZMEYGWROHDGX-UHFFFAOYSA-N 1 2 551.587 4.082 50 0 KIAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000012137987 553351870 /nfs/dbraw/zinc/35/18/70/553351870.db2.gz ZNKFLJAMIXTKMB-UHFFFAOYSA-N 1 2 509.459 4.053 50 0 KIAALO O=C([C@@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH+]c1N1CCC(O)CC1)CCC3 ZINC000012210415 553354409 /nfs/dbraw/zinc/35/44/09/553354409.db2.gz FAFCLBFAIOLPKQ-NDEPHWFRSA-N 1 2 529.637 4.121 50 0 KIAALO O=C([C@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH+]c1N1CCC(O)CC1)CCC3 ZINC000012210419 553354383 /nfs/dbraw/zinc/35/43/83/553354383.db2.gz FAFCLBFAIOLPKQ-MUUNZHRXSA-N 1 2 529.637 4.121 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000012419044 553365669 /nfs/dbraw/zinc/36/56/69/553365669.db2.gz ZXNGDFHZTPSPQZ-TVIOGVOPSA-N 1 2 528.671 4.435 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000012419044 553365667 /nfs/dbraw/zinc/36/56/67/553365667.db2.gz ZXNGDFHZTPSPQZ-TVIOGVOPSA-N 1 2 528.671 4.435 50 0 KIAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NC(=O)CSc3ncccn3)c2cc1OC ZINC000012419777 553365687 /nfs/dbraw/zinc/36/56/87/553365687.db2.gz FHLBRCASKZAFQT-UHFFFAOYSA-N 1 2 506.584 4.381 50 0 KIAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NC(=O)CSc3nccn3C)c2cc1OC ZINC000012428200 553366081 /nfs/dbraw/zinc/36/60/81/553366081.db2.gz LZTWNAMJSDMIKE-UHFFFAOYSA-N 1 2 508.600 4.324 50 0 KIAALO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1)NC(c1ccccc1)c1ccccc1 ZINC000012482706 553375922 /nfs/dbraw/zinc/37/59/22/553375922.db2.gz NAWVVPFHTNTWGS-UHFFFAOYSA-N 1 2 528.678 4.117 50 0 KIAALO COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2C)cc1 ZINC000012526168 553384250 /nfs/dbraw/zinc/38/42/50/553384250.db2.gz XCQQWOPAYOLFKX-RMKNXTFCSA-N 1 2 505.640 4.276 50 0 KIAALO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000012526199 553384215 /nfs/dbraw/zinc/38/42/15/553384215.db2.gz LKNQTUINGHOEER-XMMPIXPASA-N 1 2 509.628 4.072 50 0 KIAALO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000012526200 553384083 /nfs/dbraw/zinc/38/40/83/553384083.db2.gz LKNQTUINGHOEER-DEOSSOPVSA-N 1 2 509.628 4.072 50 0 KIAALO COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1C ZINC000012526324 553384116 /nfs/dbraw/zinc/38/41/16/553384116.db2.gz ZAXLLUHIPUPTKQ-DHZHZOJOSA-N 1 2 505.640 4.276 50 0 KIAALO COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)[NH+]2CCCC2)cc1 ZINC000012544856 553391224 /nfs/dbraw/zinc/39/12/24/553391224.db2.gz YNTLVLDWBSZAMP-RUZDIDTESA-N 1 2 509.628 4.072 50 0 KIAALO COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)[NH+]2CCCC2)cc1 ZINC000012544857 553391240 /nfs/dbraw/zinc/39/12/40/553391240.db2.gz YNTLVLDWBSZAMP-VWLOTQADSA-N 1 2 509.628 4.072 50 0 KIAALO CCCCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)nnc1[C@@H](CC)[NH+](C)C ZINC000012550109 553392753 /nfs/dbraw/zinc/39/27/53/553392753.db2.gz YZIXJKBAQSDPAG-HXUWFJFHSA-N 1 2 524.757 4.161 50 0 KIAALO CCCCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)nnc1[C@H](CC)[NH+](C)C ZINC000012550112 553392703 /nfs/dbraw/zinc/39/27/03/553392703.db2.gz YZIXJKBAQSDPAG-FQEVSTJZSA-N 1 2 524.757 4.161 50 0 KIAALO O=C(c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012562554 553394918 /nfs/dbraw/zinc/39/49/18/553394918.db2.gz MZQQOZIADQEXEG-UHFFFAOYSA-N 1 2 503.546 4.464 50 0 KIAALO COc1cc(/C=C(/C(=O)NCC[NH+]2CCOCC2)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000012562886 553395140 /nfs/dbraw/zinc/39/51/40/553395140.db2.gz DPSGZMSWLGBRCB-LGUFXXKBSA-N 1 2 502.611 4.368 50 0 KIAALO CN(CC(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)S(=O)(=O)/C=C/c1ccccc1 ZINC000012567503 553397476 /nfs/dbraw/zinc/39/74/76/553397476.db2.gz LUNFRAJKWLNJBT-HMMYKYKNSA-N 1 2 525.621 4.131 50 0 KIAALO CC[C@H](c1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1Cc1ccccc1)[NH+](C)C ZINC000012579037 553398911 /nfs/dbraw/zinc/39/89/11/553398911.db2.gz PECUKIALALVFGW-LJQANCHMSA-N 1 2 513.465 4.402 50 0 KIAALO CC[C@@H](c1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1Cc1ccccc1)[NH+](C)C ZINC000012579045 553398874 /nfs/dbraw/zinc/39/88/74/553398874.db2.gz PECUKIALALVFGW-IBGZPJMESA-N 1 2 513.465 4.402 50 0 KIAALO COc1ccc(/C(=C\c2ccc(F)cc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000012583204 553399488 /nfs/dbraw/zinc/39/94/88/553399488.db2.gz QAXQDDLSAMSHNY-BUVRLJJBSA-N 1 2 504.558 4.457 50 0 KIAALO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)ccc2N1S(C)(=O)=O ZINC000012590886 553400271 /nfs/dbraw/zinc/40/02/71/553400271.db2.gz FLZVDIMNNDTROD-LJQANCHMSA-N 1 2 525.621 4.223 50 0 KIAALO C[C@H]1Cc2cc(C(=O)N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)ccc2N1S(C)(=O)=O ZINC000012590892 553400379 /nfs/dbraw/zinc/40/03/79/553400379.db2.gz FLZVDIMNNDTROD-IBGZPJMESA-N 1 2 525.621 4.223 50 0 KIAALO O=C(c1ccc(F)cc1)[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)n1ccccc1=O ZINC000012630003 553405476 /nfs/dbraw/zinc/40/54/76/553405476.db2.gz UUJWYLCTLIUYKP-LJAQVGFWSA-N 1 2 509.581 4.345 50 0 KIAALO O=C(c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012845383 553421532 /nfs/dbraw/zinc/42/15/32/553421532.db2.gz ZADIERZXZKQSNQ-UHFFFAOYSA-N 1 2 509.488 4.102 50 0 KIAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccc(Cl)cc3Cl)c2)CC1 ZINC000012859594 553422789 /nfs/dbraw/zinc/42/27/89/553422789.db2.gz ADAPKYLLFMLIQP-UHFFFAOYSA-N 1 2 504.867 4.245 50 0 KIAALO O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000012877717 553425054 /nfs/dbraw/zinc/42/50/54/553425054.db2.gz RRVUAYDJCBVDBG-UHFFFAOYSA-N 1 2 517.573 4.142 50 0 KIAALO CSc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000012910734 553427095 /nfs/dbraw/zinc/42/70/95/553427095.db2.gz KPMYNDOTFPMRGX-UHFFFAOYSA-N 1 2 509.697 4.187 50 0 KIAALO COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000012918071 553427356 /nfs/dbraw/zinc/42/73/56/553427356.db2.gz FKKLOQUAIPHCGF-OAQYLSRUSA-N 1 2 504.008 4.309 50 0 KIAALO COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000012918075 553427287 /nfs/dbraw/zinc/42/72/87/553427287.db2.gz FKKLOQUAIPHCGF-NRFANRHFSA-N 1 2 504.008 4.309 50 0 KIAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3cccc(Cl)c3Cl)c2)CC1 ZINC000012921496 553427305 /nfs/dbraw/zinc/42/73/05/553427305.db2.gz ADPFAIWAXXBVJD-UHFFFAOYSA-N 1 2 504.867 4.245 50 0 KIAALO O=C1[C@@H]2[C@@H](/C=C/c3ccccc3)[N@@H+]3CSC[C@@H]3[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000012959381 553430283 /nfs/dbraw/zinc/43/02/83/553430283.db2.gz WIPJGEKYWVMRKE-UCZLNTTRSA-N 1 2 522.980 4.237 50 0 KIAALO O=C1[C@@H]2[C@@H](/C=C/c3ccccc3)[N@H+]3CSC[C@@H]3[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000012959381 553430281 /nfs/dbraw/zinc/43/02/81/553430281.db2.gz WIPJGEKYWVMRKE-UCZLNTTRSA-N 1 2 522.980 4.237 50 0 KIAALO O=C1[C@@H]2[C@H](/C=C/c3ccccc3)[N@@H+]3CSC[C@@H]3[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000012959388 553430336 /nfs/dbraw/zinc/43/03/36/553430336.db2.gz WIPJGEKYWVMRKE-KJYCDDNBSA-N 1 2 522.980 4.237 50 0 KIAALO O=C1[C@@H]2[C@H](/C=C/c3ccccc3)[N@H+]3CSC[C@@H]3[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000012959388 553430334 /nfs/dbraw/zinc/43/03/34/553430334.db2.gz WIPJGEKYWVMRKE-KJYCDDNBSA-N 1 2 522.980 4.237 50 0 KIAALO C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012972753 553431184 /nfs/dbraw/zinc/43/11/84/553431184.db2.gz JBTDIZIQJDMHIE-KNQAVFIVSA-N 1 2 527.090 4.054 50 0 KIAALO C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012972756 553431199 /nfs/dbraw/zinc/43/11/99/553431199.db2.gz JBTDIZIQJDMHIE-UGKGYDQZSA-N 1 2 527.090 4.054 50 0 KIAALO C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012972759 553431259 /nfs/dbraw/zinc/43/12/59/553431259.db2.gz JBTDIZIQJDMHIE-DENIHFKCSA-N 1 2 527.090 4.054 50 0 KIAALO C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012972761 553431244 /nfs/dbraw/zinc/43/12/44/553431244.db2.gz JBTDIZIQJDMHIE-SIKLNZKXSA-N 1 2 527.090 4.054 50 0 KIAALO CC[C@H](c1nnc(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)n1Cc1ccccc1)[NH+](C)C ZINC000013009012 553432286 /nfs/dbraw/zinc/43/22/86/553432286.db2.gz DEGIFKWYGJCSSD-HXUWFJFHSA-N 1 2 522.096 4.127 50 0 KIAALO CC[C@@H](c1nnc(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)n1Cc1ccccc1)[NH+](C)C ZINC000013009013 553432308 /nfs/dbraw/zinc/43/23/08/553432308.db2.gz DEGIFKWYGJCSSD-FQEVSTJZSA-N 1 2 522.096 4.127 50 0 KIAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccccc3SCC(=O)N3CCc4ccccc43)CC2)c1 ZINC000013026700 553436323 /nfs/dbraw/zinc/43/63/23/553436323.db2.gz FARNEWRHBOULRY-UHFFFAOYSA-N 1 2 531.678 4.343 50 0 KIAALO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1c(C)noc1C)C[N@H+](Cc1ccccc1)CC2 ZINC000013129135 553450392 /nfs/dbraw/zinc/45/03/92/553450392.db2.gz LZTHKDLCZMGZSY-QGZVFWFLSA-N 1 2 511.600 4.272 50 0 KIAALO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1c(C)noc1C)C[N@@H+](Cc1ccccc1)CC2 ZINC000013129135 553450390 /nfs/dbraw/zinc/45/03/90/553450390.db2.gz LZTHKDLCZMGZSY-QGZVFWFLSA-N 1 2 511.600 4.272 50 0 KIAALO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1c(C)noc1C)C[N@H+](Cc1ccccc1)CC2 ZINC000013129136 553450370 /nfs/dbraw/zinc/45/03/70/553450370.db2.gz LZTHKDLCZMGZSY-KRWDZBQOSA-N 1 2 511.600 4.272 50 0 KIAALO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1c(C)noc1C)C[N@@H+](Cc1ccccc1)CC2 ZINC000013129136 553450368 /nfs/dbraw/zinc/45/03/68/553450368.db2.gz LZTHKDLCZMGZSY-KRWDZBQOSA-N 1 2 511.600 4.272 50 0 KIAALO C[C@H](c1nnc(SCC(=O)Nc2cccc(I)c2)n1Cc1ccccc1)[NH+](C)C ZINC000013145718 553454740 /nfs/dbraw/zinc/45/47/40/553454740.db2.gz WYBTTWHNVZVMPN-OAHLLOKOSA-N 1 2 521.428 4.284 50 0 KIAALO C[C@@H](c1nnc(SCC(=O)Nc2cccc(I)c2)n1Cc1ccccc1)[NH+](C)C ZINC000013145719 553454773 /nfs/dbraw/zinc/45/47/73/553454773.db2.gz WYBTTWHNVZVMPN-HNNXBMFYSA-N 1 2 521.428 4.284 50 0 KIAALO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3n2)cc1OC ZINC000013382135 553459036 /nfs/dbraw/zinc/45/90/36/553459036.db2.gz ZNMPUWYTXSQVIZ-UHFFFAOYSA-N 1 2 525.531 4.390 50 0 KIAALO COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000013468297 561713773 /nfs/dbraw/zinc/71/37/73/561713773.db2.gz IHGRDDAMHPPGJJ-DFHRPNOPSA-N 1 2 502.567 4.001 50 0 KIAALO COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000013468297 561713771 /nfs/dbraw/zinc/71/37/71/561713771.db2.gz IHGRDDAMHPPGJJ-DFHRPNOPSA-N 1 2 502.567 4.001 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC(=O)c1ccccc1 ZINC000013551505 553470441 /nfs/dbraw/zinc/47/04/41/553470441.db2.gz GCVBSHZSIZFZKC-NKFKGCMQSA-N 1 2 513.516 4.185 50 0 KIAALO O=C(N/C(=C\c1c[nH]c2ccccc12)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000013579484 553475462 /nfs/dbraw/zinc/47/54/62/553475462.db2.gz ZZLAGHCVQATRIK-ONUIUJJFSA-N 1 2 508.578 4.012 50 0 KIAALO O=S(=O)(c1nc(-c2ccc(Cl)cc2)oc1NCCCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000013686252 553485320 /nfs/dbraw/zinc/48/53/20/553485320.db2.gz URCFFLYOLMRUKL-UHFFFAOYSA-N 1 2 500.964 4.298 50 0 KIAALO O=S(=O)(c1nc(-c2cccc(Cl)c2)oc1NCCCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000013719423 553486649 /nfs/dbraw/zinc/48/66/49/553486649.db2.gz MTVMFQSCUFQMRC-UHFFFAOYSA-N 1 2 500.964 4.298 50 0 KIAALO O=S(=O)(c1nc(-c2ccccc2Cl)oc1NCCCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000013732160 553487117 /nfs/dbraw/zinc/48/71/17/553487117.db2.gz FKGMQWOTQBQVQM-UHFFFAOYSA-N 1 2 500.964 4.298 50 0 KIAALO O=S(=O)(c1cccc(-c2cs/c(=N\c3ccccc3)n2CCC[NH+]2CCOCC2)c1)N1CCCCC1 ZINC000013769682 553489217 /nfs/dbraw/zinc/48/92/17/553489217.db2.gz FTAGDTPOCNCCBI-DQSJHHFOSA-N 1 2 526.728 4.346 50 0 KIAALO Cc1ccccc1NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[N@H+](C)C3 ZINC000013770638 553489440 /nfs/dbraw/zinc/48/94/40/553489440.db2.gz DOVLLFGTVWWVTO-UHFFFAOYSA-N 1 2 516.652 4.122 50 0 KIAALO Cc1ccccc1NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[N@@H+](C)C3 ZINC000013770638 553489438 /nfs/dbraw/zinc/48/94/38/553489438.db2.gz DOVLLFGTVWWVTO-UHFFFAOYSA-N 1 2 516.652 4.122 50 0 KIAALO O=S(=O)(c1cccc(-c2cs/c(=N\c3ccccc3)n2CC[NH+]2CCOCC2)c1)N1CCCCCC1 ZINC000013776129 553489922 /nfs/dbraw/zinc/48/99/22/553489922.db2.gz TYROTNPRQKVSMY-DQSJHHFOSA-N 1 2 526.728 4.346 50 0 KIAALO CC1CCN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CC[NH+]3CCOCC3)c2)CC1 ZINC000013786270 553490639 /nfs/dbraw/zinc/49/06/39/553490639.db2.gz JJDCKMWWMPRSQO-DQSJHHFOSA-N 1 2 526.728 4.202 50 0 KIAALO CCOC(=O)C1=C(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000013960421 553498110 /nfs/dbraw/zinc/49/81/10/553498110.db2.gz LPVSNAYIMVJGFS-XMMPIXPASA-N 1 2 516.564 4.431 50 0 KIAALO CCOC(=O)C1=C(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000013960422 553498121 /nfs/dbraw/zinc/49/81/21/553498121.db2.gz LPVSNAYIMVJGFS-DEOSSOPVSA-N 1 2 516.564 4.431 50 0 KIAALO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014357153 553512337 /nfs/dbraw/zinc/51/23/37/553512337.db2.gz HCFNRTLMVWTLDA-OAQYLSRUSA-N 1 2 506.430 4.211 50 0 KIAALO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014357155 553512359 /nfs/dbraw/zinc/51/23/59/553512359.db2.gz HCFNRTLMVWTLDA-NRFANRHFSA-N 1 2 506.430 4.211 50 0 KIAALO Cn1cc(C(=O)N2CCC[C@@H](COc3ccc(C[N@@H+](C)Cc4ccon4)cc3)C2)c(=O)c2ccccc21 ZINC000014957845 553522333 /nfs/dbraw/zinc/52/23/33/553522333.db2.gz WYSFLRLNHGKFAI-JOCHJYFZSA-N 1 2 500.599 4.090 50 0 KIAALO Cn1cc(C(=O)N2CCC[C@@H](COc3ccc(C[N@H+](C)Cc4ccon4)cc3)C2)c(=O)c2ccccc21 ZINC000014957845 553522331 /nfs/dbraw/zinc/52/23/31/553522331.db2.gz WYSFLRLNHGKFAI-JOCHJYFZSA-N 1 2 500.599 4.090 50 0 KIAALO Cn1cc(C(=O)N2CCC[C@H](COc3ccc(C[N@@H+](C)Cc4ccon4)cc3)C2)c(=O)c2ccccc21 ZINC000014957848 553522338 /nfs/dbraw/zinc/52/23/38/553522338.db2.gz WYSFLRLNHGKFAI-QFIPXVFZSA-N 1 2 500.599 4.090 50 0 KIAALO Cn1cc(C(=O)N2CCC[C@H](COc3ccc(C[N@H+](C)Cc4ccon4)cc3)C2)c(=O)c2ccccc21 ZINC000014957848 553522336 /nfs/dbraw/zinc/52/23/36/553522336.db2.gz WYSFLRLNHGKFAI-QFIPXVFZSA-N 1 2 500.599 4.090 50 0 KIAALO COc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@@H](C)c3cccs3)C4=O)CC2)cc2c1OCO2 ZINC000014968440 553522668 /nfs/dbraw/zinc/52/26/68/553522668.db2.gz JVUQRBVXFSVZBN-KRWDZBQOSA-N 1 2 505.596 4.165 50 0 KIAALO COc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@H](C)c3cccs3)C4=O)CC2)cc2c1OCO2 ZINC000014968444 553522746 /nfs/dbraw/zinc/52/27/46/553522746.db2.gz JVUQRBVXFSVZBN-QGZVFWFLSA-N 1 2 505.596 4.165 50 0 KIAALO CN(C[C@@H]1COCCO1)c1nc(-c2ccsc2)ccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000014984443 553523459 /nfs/dbraw/zinc/52/34/59/553523459.db2.gz SEXPOAQHENIEMG-JLEGMICCSA-N 1 2 518.683 4.133 50 0 KIAALO CN(C[C@H]1COCCO1)c1nc(-c2ccsc2)ccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000014984445 553523602 /nfs/dbraw/zinc/52/36/02/553523602.db2.gz SEXPOAQHENIEMG-AAHGLTIQSA-N 1 2 518.683 4.133 50 0 KIAALO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](n2cnnn2)C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000014992056 553524193 /nfs/dbraw/zinc/52/41/93/553524193.db2.gz HSJDBVLETVFWHH-VWNXMTODSA-N 1 2 522.531 4.293 50 0 KIAALO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](n2cnnn2)C[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000014992056 553524192 /nfs/dbraw/zinc/52/41/92/553524192.db2.gz HSJDBVLETVFWHH-VWNXMTODSA-N 1 2 522.531 4.293 50 0 KIAALO O=C1c2cccc(N3CC[NH+](Cc4cc5c(cc4Cl)OCO5)CC3)c2C(=O)N1CCc1cccc(F)c1 ZINC000014999340 553524978 /nfs/dbraw/zinc/52/49/78/553524978.db2.gz JZVMNGDPPAFRLG-UHFFFAOYSA-N 1 2 521.976 4.369 50 0 KIAALO O=C1c2cccc(N3CC[NH+](Cc4cc5c(cc4Cl)OCO5)CC3)c2C(=O)N1Cc1ccccc1F ZINC000015007143 553525065 /nfs/dbraw/zinc/52/50/65/553525065.db2.gz REMVVVHONROWBD-UHFFFAOYSA-N 1 2 507.949 4.326 50 0 KIAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)Nc4ccc(C(C)C)cc4)cc1)[N@@H+](C)CC3)OCO2 ZINC000015415230 553533089 /nfs/dbraw/zinc/53/30/89/553533089.db2.gz YYVGMPNQTSBUDM-RUZDIDTESA-N 1 2 526.597 4.353 50 0 biogenic KIAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)Nc4ccc(C(C)C)cc4)cc1)[N@H+](C)CC3)OCO2 ZINC000015415230 553533086 /nfs/dbraw/zinc/53/30/86/553533086.db2.gz YYVGMPNQTSBUDM-RUZDIDTESA-N 1 2 526.597 4.353 50 0 biogenic KIAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)Nc4ccc(C(C)C)cc4)cc1)[N@@H+](C)CC3)OCO2 ZINC000015415233 553532954 /nfs/dbraw/zinc/53/29/54/553532954.db2.gz YYVGMPNQTSBUDM-VWLOTQADSA-N 1 2 526.597 4.353 50 0 biogenic KIAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)Nc4ccc(C(C)C)cc4)cc1)[N@H+](C)CC3)OCO2 ZINC000015415233 553532953 /nfs/dbraw/zinc/53/29/53/553532953.db2.gz YYVGMPNQTSBUDM-VWLOTQADSA-N 1 2 526.597 4.353 50 0 biogenic KIAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)Nc4ccc(C(C)C)cc4)c1)[N@@H+](C)CC3)OCO2 ZINC000015415478 553532990 /nfs/dbraw/zinc/53/29/90/553532990.db2.gz OQQBGXYWDYOGPR-RUZDIDTESA-N 1 2 526.597 4.353 50 0 biogenic KIAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)Nc4ccc(C(C)C)cc4)c1)[N@H+](C)CC3)OCO2 ZINC000015415478 553532988 /nfs/dbraw/zinc/53/29/88/553532988.db2.gz OQQBGXYWDYOGPR-RUZDIDTESA-N 1 2 526.597 4.353 50 0 biogenic KIAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)Nc4ccc(C(C)C)cc4)c1)[N@@H+](C)CC3)OCO2 ZINC000015415481 553533060 /nfs/dbraw/zinc/53/30/60/553533060.db2.gz OQQBGXYWDYOGPR-VWLOTQADSA-N 1 2 526.597 4.353 50 0 biogenic KIAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)Nc4ccc(C(C)C)cc4)c1)[N@H+](C)CC3)OCO2 ZINC000015415481 553533057 /nfs/dbraw/zinc/53/30/57/553533057.db2.gz OQQBGXYWDYOGPR-VWLOTQADSA-N 1 2 526.597 4.353 50 0 biogenic KIAALO O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCN(C(=S)Nc2ccccc2C(F)(F)F)CC1 ZINC000015441310 553533327 /nfs/dbraw/zinc/53/33/27/553533327.db2.gz AZPQZLXNACVNCI-UHFFFAOYSA-N 1 2 512.557 4.469 50 0 KIAALO COc1cc(CNC(=O)C2CCN(c3cc(C)c4cc(NC(C)=O)ccc4[nH+]3)CC2)cc(OC)c1OC ZINC000015828504 553537069 /nfs/dbraw/zinc/53/70/69/553537069.db2.gz PSLSFOXZMIYXDF-UHFFFAOYSA-N 1 2 506.603 4.060 50 0 KIAALO CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)cc2)CC1 ZINC000015880224 553540021 /nfs/dbraw/zinc/54/00/21/553540021.db2.gz JSNMHIANEHWHRO-UHFFFAOYSA-N 1 2 510.685 4.374 50 0 KIAALO CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)cc2)CC1 ZINC000015880224 553540019 /nfs/dbraw/zinc/54/00/19/553540019.db2.gz JSNMHIANEHWHRO-UHFFFAOYSA-N 1 2 510.685 4.374 50 0 KIAALO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)cc2)C1 ZINC000015880226 553539960 /nfs/dbraw/zinc/53/99/60/553539960.db2.gz UZQFSHHNCQXHBP-LJQANCHMSA-N 1 2 510.685 4.374 50 0 KIAALO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)cc2)C1 ZINC000015880226 553539957 /nfs/dbraw/zinc/53/99/57/553539957.db2.gz UZQFSHHNCQXHBP-LJQANCHMSA-N 1 2 510.685 4.374 50 0 KIAALO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)cc2)C1 ZINC000015880227 553539879 /nfs/dbraw/zinc/53/98/79/553539879.db2.gz UZQFSHHNCQXHBP-IBGZPJMESA-N 1 2 510.685 4.374 50 0 KIAALO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)cc2)C1 ZINC000015880227 553539877 /nfs/dbraw/zinc/53/98/77/553539877.db2.gz UZQFSHHNCQXHBP-IBGZPJMESA-N 1 2 510.685 4.374 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015996110 553549546 /nfs/dbraw/zinc/54/95/46/553549546.db2.gz MXQBCQBEMDZGGP-IMIIHFCZSA-N 1 2 502.368 4.034 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015996110 553549545 /nfs/dbraw/zinc/54/95/45/553549545.db2.gz MXQBCQBEMDZGGP-IMIIHFCZSA-N 1 2 502.368 4.034 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015996112 553549463 /nfs/dbraw/zinc/54/94/63/553549463.db2.gz MXQBCQBEMDZGGP-BOCITWAFSA-N 1 2 502.368 4.034 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015996112 553549460 /nfs/dbraw/zinc/54/94/60/553549460.db2.gz MXQBCQBEMDZGGP-BOCITWAFSA-N 1 2 502.368 4.034 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015998953 553549419 /nfs/dbraw/zinc/54/94/19/553549419.db2.gz UYIQMEONJNOALH-MSZDEVHKSA-N 1 2 502.368 4.034 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015998953 553549416 /nfs/dbraw/zinc/54/94/16/553549416.db2.gz UYIQMEONJNOALH-MSZDEVHKSA-N 1 2 502.368 4.034 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016000717 553549908 /nfs/dbraw/zinc/54/99/08/553549908.db2.gz RLQHABLVGWKXFM-QUMGSSFMSA-N 1 2 513.981 4.498 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016000717 553549907 /nfs/dbraw/zinc/54/99/07/553549907.db2.gz RLQHABLVGWKXFM-QUMGSSFMSA-N 1 2 513.981 4.498 50 0 KIAALO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000016001897 553550072 /nfs/dbraw/zinc/55/00/72/553550072.db2.gz QITCBHSOEKLXAA-YAOOYPAMSA-N 1 2 507.546 4.052 50 0 KIAALO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000016001897 553550071 /nfs/dbraw/zinc/55/00/71/553550071.db2.gz QITCBHSOEKLXAA-YAOOYPAMSA-N 1 2 507.546 4.052 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000016013005 553550964 /nfs/dbraw/zinc/55/09/64/553550964.db2.gz ZXNGDFHZTPSPQZ-OKMGNEIESA-N 1 2 528.671 4.435 50 0 biogenic,in-vitro KIAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000016013005 553550963 /nfs/dbraw/zinc/55/09/63/553550963.db2.gz ZXNGDFHZTPSPQZ-OKMGNEIESA-N 1 2 528.671 4.435 50 0 biogenic,in-vitro KIAALO Cc1cc(N2CCOCC2)nc(SCc2ccc(CSc3nc(N4CCOCC4)cc(C)[nH+]3)cc2)n1 ZINC000016283933 553558391 /nfs/dbraw/zinc/55/83/91/553558391.db2.gz RHSSAEHYHNGKJI-UHFFFAOYSA-N 1 2 524.716 4.141 50 0 KIAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccncc4)nc4ccc(Cl)cc43)cc2)CC1 ZINC000016392132 553562088 /nfs/dbraw/zinc/56/20/88/553562088.db2.gz TUBULHMBSIIVKR-UHFFFAOYSA-N 1 2 522.030 4.139 50 0 KIAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cccnc4)nc4ccc(Cl)cc43)cc2)CC1 ZINC000016392175 553562050 /nfs/dbraw/zinc/56/20/50/553562050.db2.gz SMOBJMFCBJXDBV-UHFFFAOYSA-N 1 2 522.030 4.139 50 0 KIAALO O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000016492717 553566664 /nfs/dbraw/zinc/56/66/64/553566664.db2.gz RWDCRSBDZPWDME-UHFFFAOYSA-N 1 2 516.545 4.328 50 0 KIAALO CCCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccc(OC)cc2)C1=O ZINC000016570914 553567733 /nfs/dbraw/zinc/56/77/33/553567733.db2.gz SYOHVTOIMGQPIR-UHFFFAOYSA-O 1 2 515.977 4.422 50 0 KIAALO CCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(Cc2ccc(F)cc2)C1=O ZINC000016570951 553567974 /nfs/dbraw/zinc/56/79/74/553567974.db2.gz IZKMJAIUNGKOAJ-UHFFFAOYSA-O 1 2 503.941 4.158 50 0 KIAALO CCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(CC(C)C)C1=O ZINC000016570969 553567993 /nfs/dbraw/zinc/56/79/93/553567993.db2.gz NTEILIBCUQQZJA-UHFFFAOYSA-O 1 2 500.406 4.436 50 0 KIAALO CCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(c2ccc(OC)cc2)C1=O ZINC000016571023 553567962 /nfs/dbraw/zinc/56/79/62/553567962.db2.gz HULMYSMWFFLGCP-UHFFFAOYSA-O 1 2 515.977 4.340 50 0 KIAALO CCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccc(C)cc2)C(=O)N(CC(C)C)C1=O ZINC000016571064 553567971 /nfs/dbraw/zinc/56/79/71/553567971.db2.gz UMIHKTUUJLRSDL-UHFFFAOYSA-O 1 2 500.406 4.436 50 0 KIAALO CCc1ccc[n+](C2=C(c3c(C)[nH]n(-c4ccc(Cl)c(Cl)c4)c3=O)C(=O)N(CC(C)C)C2=O)c1 ZINC000016571106 553567930 /nfs/dbraw/zinc/56/79/30/553567930.db2.gz ASSDFVLUTATONM-UHFFFAOYSA-O 1 2 500.406 4.436 50 0 KIAALO CCCN1C(=O)C(c2c(CC)[nH]n(-c3ccc(Cl)c(Cl)c3)c2=O)=C([n+]2cc(C)cc(C)c2)C1=O ZINC000016571201 553567998 /nfs/dbraw/zinc/56/79/98/553567998.db2.gz ITXHCEMNLCXCOD-UHFFFAOYSA-O 1 2 500.406 4.499 50 0 KIAALO CCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccc(C)c(C)c2)C(=O)N(C(C)C)C1=O ZINC000016571252 553567977 /nfs/dbraw/zinc/56/79/77/553567977.db2.gz FEALSTIBMCOMCH-UHFFFAOYSA-O 1 2 500.406 4.497 50 0 KIAALO CCCN1C(=O)C(c2c(CC)[nH]n(-c3ccc(Cl)c(Cl)c3)c2=O)=C([n+]2ccc(C)c(C)c2)C1=O ZINC000016571279 553567967 /nfs/dbraw/zinc/56/79/67/553567967.db2.gz RWVNDMVAIXIQRW-UHFFFAOYSA-O 1 2 500.406 4.499 50 0 KIAALO C[C@H](c1nnc(SCc2nc(N)nc(Nc3ccc(F)cc3)n2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000016685450 553572752 /nfs/dbraw/zinc/57/27/52/553572752.db2.gz DNFDSEKJNCWCJN-CYBMUJFWSA-N 1 2 500.007 4.486 50 0 KIAALO C[C@@H](c1nnc(SCc2nc(N)nc(Nc3ccc(F)cc3)n2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000016685452 553572709 /nfs/dbraw/zinc/57/27/09/553572709.db2.gz DNFDSEKJNCWCJN-ZDUSSCGKSA-N 1 2 500.007 4.486 50 0 KIAALO O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(Br)c2)N1CCC[NH+]1CCOCC1 ZINC000016741209 553579627 /nfs/dbraw/zinc/57/96/27/553579627.db2.gz FQWFDVTZTQYXKA-NRFANRHFSA-N 1 2 517.807 4.476 50 0 KIAALO O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Br)c2)N1CCC[NH+]1CCOCC1 ZINC000016741210 553579634 /nfs/dbraw/zinc/57/96/34/553579634.db2.gz FQWFDVTZTQYXKA-OAQYLSRUSA-N 1 2 517.807 4.476 50 0 KIAALO COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCC(C)C ZINC000016742179 553580115 /nfs/dbraw/zinc/58/01/15/553580115.db2.gz RAFIDATULINMRC-MHZLTWQESA-N 1 2 520.626 4.412 50 0 KIAALO COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCC(C)C ZINC000016742180 553580127 /nfs/dbraw/zinc/58/01/27/553580127.db2.gz RAFIDATULINMRC-HHHXNRCGSA-N 1 2 520.626 4.412 50 0 KIAALO CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000016742400 553580488 /nfs/dbraw/zinc/58/04/88/553580488.db2.gz IOWBJLUSBXOPLW-SANMLTNESA-N 1 2 506.599 4.248 50 0 KIAALO CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000016742401 553580418 /nfs/dbraw/zinc/58/04/18/553580418.db2.gz IOWBJLUSBXOPLW-AREMUKBSSA-N 1 2 506.599 4.248 50 0 KIAALO CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000016806235 553583165 /nfs/dbraw/zinc/58/31/65/553583165.db2.gz JHPWUDVWOOQDII-SANMLTNESA-N 1 2 506.599 4.166 50 0 KIAALO CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000016806237 553583232 /nfs/dbraw/zinc/58/32/32/553583232.db2.gz JHPWUDVWOOQDII-AREMUKBSSA-N 1 2 506.599 4.166 50 0 KIAALO CC(C)Cc1nnc(NC(=O)CCC(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)s1 ZINC000016956032 553585014 /nfs/dbraw/zinc/58/50/14/553585014.db2.gz YCAYSTRHKSNKQU-UHFFFAOYSA-N 1 2 535.714 4.406 50 0 KIAALO COc1cn(CC(=O)Nc2cccc3ccccc32)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1=O ZINC000016974636 553585778 /nfs/dbraw/zinc/58/57/78/553585778.db2.gz KNTRELJPJLRCKG-UHFFFAOYSA-N 1 2 500.574 4.110 50 0 KIAALO COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Nc2nc(N3CCOCC3)cc(C)[nH+]2)cc1 ZINC000017013649 553586315 /nfs/dbraw/zinc/58/63/15/553586315.db2.gz ZKMDURDTNXXWDR-UHFFFAOYSA-N 1 2 511.648 4.472 50 0 KIAALO Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)[nH+]1 ZINC000017013761 553586575 /nfs/dbraw/zinc/58/65/75/553586575.db2.gz LHLMTVFQDCIWIP-UHFFFAOYSA-N 1 2 509.373 4.000 50 0 KIAALO Cc1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc32)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000017146857 553589130 /nfs/dbraw/zinc/58/91/30/553589130.db2.gz RWOWHAMOIPXVCQ-UHFFFAOYSA-N 1 2 517.611 4.014 50 0 KIAALO Cc1cccc(NC=C2C(=O)N(c3cccc(S(=O)(=O)NCc4ccco4)c3)C(=O)c3ccccc32)[nH+]1 ZINC000018230170 553611085 /nfs/dbraw/zinc/61/10/85/553611085.db2.gz OQSPXVOJZDSOGW-ULJHMMPZSA-N 1 2 514.563 4.102 50 0 KIAALO Cc1cc(C)n(CCNC(=O)COc2ccc(-c3cc(C)nc4ccccc43)cc2C[NH+]2CCOCC2)n1 ZINC000019218340 553612862 /nfs/dbraw/zinc/61/28/62/553612862.db2.gz AAUCMRARIXGHQA-UHFFFAOYSA-N 1 2 513.642 4.051 50 0 KIAALO O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1c2c([nH+]c3ccccc31)N(Cc1ccccc1)CC2 ZINC000019314283 553613136 /nfs/dbraw/zinc/61/31/36/553613136.db2.gz QYICKZKXJYKHJW-UHFFFAOYSA-N 1 2 505.622 4.194 50 0 KIAALO CN1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000019333750 553613833 /nfs/dbraw/zinc/61/38/33/553613833.db2.gz JTILRZHEIXQAOZ-UHFFFAOYSA-N 1 2 500.618 4.459 50 0 KIAALO O=C(Cc1ccsc1)N1CCC[C@@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000019606567 553614863 /nfs/dbraw/zinc/61/48/63/553614863.db2.gz KBHLFAGQZFTFRL-HHHXNRCGSA-N 1 2 504.700 4.321 50 0 KIAALO O=C(Cc1ccsc1)N1CCC[C@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000019606569 553615015 /nfs/dbraw/zinc/61/50/15/553615015.db2.gz KBHLFAGQZFTFRL-MHZLTWQESA-N 1 2 504.700 4.321 50 0 KIAALO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)c3n2)cc1OC ZINC000019774483 553616481 /nfs/dbraw/zinc/61/64/81/553616481.db2.gz NHJCOKVZNMNTGD-UHFFFAOYSA-N 1 2 525.531 4.390 50 0 KIAALO 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O=C(c1cnn2c1nc(-c1ccc3c(c1)OCO3)cc2C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019881367 553629409 /nfs/dbraw/zinc/62/94/09/553629409.db2.gz XSKFLQIJSPPTCV-UHFFFAOYSA-N 1 2 509.488 4.102 50 0 KIAALO O=C(c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019881375 553629455 /nfs/dbraw/zinc/62/94/55/553629455.db2.gz CHKYSZUKDIJJKQ-UHFFFAOYSA-N 1 2 509.488 4.102 50 0 KIAALO O=C(c1cnn2c1N[C@H](c1ccc3c(c1)OCO3)C[C@H]2C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019894467 553632025 /nfs/dbraw/zinc/63/20/25/553632025.db2.gz HBAQSJRYOOIDSJ-REWPJTCUSA-N 1 2 513.520 4.230 50 0 KIAALO O=C(c1cnn2c1N[C@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019894468 553632067 /nfs/dbraw/zinc/63/20/67/553632067.db2.gz HBAQSJRYOOIDSJ-NZQKXSOJSA-N 1 2 513.520 4.230 50 0 KIAALO O=C(c1cnn2c1N[C@@H](c1ccc3c(c1)OCO3)C[C@H]2C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019894469 553632109 /nfs/dbraw/zinc/63/21/09/553632109.db2.gz HBAQSJRYOOIDSJ-OFNKIYASSA-N 1 2 513.520 4.230 50 0 KIAALO 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O=C(c1cnn2c1nc(-c1ccc3c(c1)OCCO3)cc2C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019943981 553646111 /nfs/dbraw/zinc/64/61/11/553646111.db2.gz HLXSQCVPNIJTNM-UHFFFAOYSA-N 1 2 523.515 4.144 50 0 KIAALO Cc1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CC[N@H+](C)C4)cc1 ZINC000019994597 553652510 /nfs/dbraw/zinc/65/25/10/553652510.db2.gz AXPLSAAWERCEDW-UHFFFAOYSA-N 1 2 516.652 4.122 50 0 KIAALO Cc1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CC[N@@H+](C)C4)cc1 ZINC000019994597 553652505 /nfs/dbraw/zinc/65/25/05/553652505.db2.gz AXPLSAAWERCEDW-UHFFFAOYSA-N 1 2 516.652 4.122 50 0 KIAALO COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](C)C3 ZINC000019996702 553652992 /nfs/dbraw/zinc/65/29/92/553652992.db2.gz CHSMYPATAKORBU-UHFFFAOYSA-N 1 2 506.653 4.483 50 0 KIAALO COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](C)C3 ZINC000019996702 553652990 /nfs/dbraw/zinc/65/29/90/553652990.db2.gz CHSMYPATAKORBU-UHFFFAOYSA-N 1 2 506.653 4.483 50 0 KIAALO Nc1nc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000020028285 553663828 /nfs/dbraw/zinc/66/38/28/553663828.db2.gz DTMAGRCSPNYHIS-UHFFFAOYSA-N 1 2 511.586 4.036 50 0 KIAALO COc1cccc(C(=O)N2CC[NH+]([C@H]3c4cccc5cccc(c45)[C@@H]3NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000020029208 553663802 /nfs/dbraw/zinc/66/38/02/553663802.db2.gz MKQWWNZHQQRVDW-VMPREFPWSA-N 1 2 527.646 4.381 50 0 KIAALO COc1cccc(C(=O)N2CC[NH+]([C@@H]3c4cccc5cccc(c45)[C@@H]3NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000020029209 553663848 /nfs/dbraw/zinc/66/38/48/553663848.db2.gz MKQWWNZHQQRVDW-URLMMPGGSA-N 1 2 527.646 4.381 50 0 KIAALO COc1cccc(C(=O)N2CC[NH+]([C@H]3c4cccc5cccc(c45)[C@H]3NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000020029210 553663815 /nfs/dbraw/zinc/66/38/15/553663815.db2.gz MKQWWNZHQQRVDW-WDYNHAJCSA-N 1 2 527.646 4.381 50 0 KIAALO COc1cccc(C(=O)N2CC[NH+]([C@@H]3c4cccc5cccc(c45)[C@H]3NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000020029211 553664138 /nfs/dbraw/zinc/66/41/38/553664138.db2.gz MKQWWNZHQQRVDW-FQLXRVMXSA-N 1 2 527.646 4.381 50 0 KIAALO CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000020108859 553691795 /nfs/dbraw/zinc/69/17/95/553691795.db2.gz MIPQBYJSRNFYPQ-WUFINQPMSA-N 1 2 517.601 4.476 50 0 KIAALO CCOc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000020108861 553691793 /nfs/dbraw/zinc/69/17/93/553691793.db2.gz MIPQBYJSRNFYPQ-NSOVKSMOSA-N 1 2 517.601 4.476 50 0 KIAALO CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000020108863 553691711 /nfs/dbraw/zinc/69/17/11/553691711.db2.gz MIPQBYJSRNFYPQ-VSGBNLITSA-N 1 2 517.601 4.476 50 0 KIAALO CCOc1ccc([C@H]2[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000020108865 553691789 /nfs/dbraw/zinc/69/17/89/553691789.db2.gz MIPQBYJSRNFYPQ-IZLXSDGUSA-N 1 2 517.601 4.476 50 0 KIAALO COc1cc(OC)c(NC(=O)CCC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1Cl ZINC000020135964 553593502 /nfs/dbraw/zinc/59/35/02/553593502.db2.gz JUVLCLNIWJLUAB-UHFFFAOYSA-N 1 2 512.994 4.408 50 0 KIAALO CCOc1ccc(CCNC(=O)CCC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1OCC ZINC000020136040 553593485 /nfs/dbraw/zinc/59/34/85/553593485.db2.gz ULZQPJSSHMVCCD-UHFFFAOYSA-N 1 2 534.657 4.255 50 0 KIAALO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155388 553599191 /nfs/dbraw/zinc/59/91/91/553599191.db2.gz MRGRBYGCFQDWPJ-URLMMPGGSA-N 1 2 526.637 4.065 50 0 KIAALO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155390 553599155 /nfs/dbraw/zinc/59/91/55/553599155.db2.gz MRGRBYGCFQDWPJ-VMPREFPWSA-N 1 2 526.637 4.065 50 0 KIAALO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155392 553599177 /nfs/dbraw/zinc/59/91/77/553599177.db2.gz MRGRBYGCFQDWPJ-FQLXRVMXSA-N 1 2 526.637 4.065 50 0 KIAALO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155394 553599199 /nfs/dbraw/zinc/59/91/99/553599199.db2.gz MRGRBYGCFQDWPJ-WDYNHAJCSA-N 1 2 526.637 4.065 50 0 KIAALO COc1ccc(/C=C2\Sc3ccc(C(=O)N4CCN(c5cccc[nH+]5)CC4)cc3N(C)C2=O)cc1OC ZINC000020180170 553604013 /nfs/dbraw/zinc/60/40/13/553604013.db2.gz NVSLTLQVJPYNOE-UQQQWYQISA-N 1 2 516.623 4.171 50 0 KIAALO C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c1)c1ccccc1O2 ZINC000020182090 553604654 /nfs/dbraw/zinc/60/46/54/553604654.db2.gz VVYJKSOHCUKTOZ-AYWVHJORSA-N 1 2 526.593 4.143 50 0 KIAALO C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c1)c1cc(Cl)ccc1O2 ZINC000020182128 553604682 /nfs/dbraw/zinc/60/46/82/553604682.db2.gz CYNZBXQOZWRHKF-AJTFRIOCSA-N 1 2 503.990 4.467 50 0 KIAALO Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020182282 553604590 /nfs/dbraw/zinc/60/45/90/553604590.db2.gz JOOFDZFFMNUMSL-UHFFFAOYSA-N 1 2 512.610 4.295 50 0 KIAALO CCOC(=O)C1C(C[NH+]2CCN(c3ccc(C)cc3C)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214645 553613347 /nfs/dbraw/zinc/61/33/47/553613347.db2.gz ZJMCEEQGWMVESJ-HHHXNRCGSA-N 1 2 506.647 4.084 50 0 KIAALO CCOC(=O)C1C(C[NH+]2CCN(c3ccc(C)cc3C)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214649 553613320 /nfs/dbraw/zinc/61/33/20/553613320.db2.gz ZJMCEEQGWMVESJ-MHZLTWQESA-N 1 2 506.647 4.084 50 0 KIAALO CCOC(=O)C1C(C[NH+]2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214660 553613222 /nfs/dbraw/zinc/61/32/22/553613222.db2.gz LELYQUAJXFCTMS-HHHXNRCGSA-N 1 2 506.647 4.084 50 0 KIAALO CCOC(=O)C1C(C[NH+]2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214664 553613204 /nfs/dbraw/zinc/61/32/04/553613204.db2.gz LELYQUAJXFCTMS-MHZLTWQESA-N 1 2 506.647 4.084 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214667 553613249 /nfs/dbraw/zinc/61/32/49/553613249.db2.gz NAHPWHYLRYWBOX-KDYSTLNUSA-N 1 2 506.647 4.164 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214667 553613248 /nfs/dbraw/zinc/61/32/48/553613248.db2.gz NAHPWHYLRYWBOX-KDYSTLNUSA-N 1 2 506.647 4.164 50 0 KIAALO CCOC(=O)C1C(C[N@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214667 553613245 /nfs/dbraw/zinc/61/32/45/553613245.db2.gz NAHPWHYLRYWBOX-KDYSTLNUSA-N 1 2 506.647 4.164 50 0 KIAALO CCOC(=O)C1C(C[N@@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214667 553613242 /nfs/dbraw/zinc/61/32/42/553613242.db2.gz NAHPWHYLRYWBOX-KDYSTLNUSA-N 1 2 506.647 4.164 50 0 KIAALO C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc1)c1ccccc1O2 ZINC000020214814 553613521 /nfs/dbraw/zinc/61/35/21/553613521.db2.gz MBNSJODNDVRMON-AYWVHJORSA-N 1 2 526.593 4.143 50 0 KIAALO O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000020242725 553627747 /nfs/dbraw/zinc/62/77/47/553627747.db2.gz LAONLNAVBCCUDS-KXQOOQHDSA-N 1 2 522.630 4.371 50 0 KIAALO O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000020242727 553627742 /nfs/dbraw/zinc/62/77/42/553627742.db2.gz LAONLNAVBCCUDS-LHEWISCISA-N 1 2 522.630 4.371 50 0 KIAALO CCOc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2nccs2)C[N@H+](C)CC4)cc1 ZINC000020267717 553630723 /nfs/dbraw/zinc/63/07/23/553630723.db2.gz GLQVQCWMKANEJB-UHFFFAOYSA-N 1 2 513.670 4.021 50 0 KIAALO CCOc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2nccs2)C[N@@H+](C)CC4)cc1 ZINC000020267717 553630721 /nfs/dbraw/zinc/63/07/21/553630721.db2.gz GLQVQCWMKANEJB-UHFFFAOYSA-N 1 2 513.670 4.021 50 0 KIAALO O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000020281525 553631372 /nfs/dbraw/zinc/63/13/72/553631372.db2.gz UYRLEKPGNLXWSL-UHFFFAOYSA-N 1 2 512.557 4.469 50 0 KIAALO COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)Nc4ccc(C[NH+]5CCOCC5)cc4)c(C)n3n2)c1 ZINC000020282480 553631273 /nfs/dbraw/zinc/63/12/73/553631273.db2.gz UOXIAKODFFIUSD-UHFFFAOYSA-N 1 2 529.641 4.434 50 0 KIAALO COc1ccc(-c2cc3nc(C)c(CCC(=O)Nc4ccc(C[NH+]5CCOCC5)cc4)c(C)n3n2)c(OC)c1 ZINC000020282733 553631566 /nfs/dbraw/zinc/63/15/66/553631566.db2.gz JMNAAFMLMRABFN-UHFFFAOYSA-N 1 2 529.641 4.434 50 0 KIAALO C[N@H+]1CCc2c(sc3nc(SCC(=O)NCc4ccccc4)n(-c4ccc(Cl)cc4)c(=O)c23)C1 ZINC000020289525 553634779 /nfs/dbraw/zinc/63/47/79/553634779.db2.gz RQJMIFNRXBUFNO-UHFFFAOYSA-N 1 2 511.072 4.497 50 0 KIAALO C[N@@H+]1CCc2c(sc3nc(SCC(=O)NCc4ccccc4)n(-c4ccc(Cl)cc4)c(=O)c23)C1 ZINC000020289525 553634777 /nfs/dbraw/zinc/63/47/77/553634777.db2.gz RQJMIFNRXBUFNO-UHFFFAOYSA-N 1 2 511.072 4.497 50 0 KIAALO CCOc1ccc(-n2c(SCC(=O)NCc3ccccc3)nc3sc4c(c3c2=O)CC[N@@H+](C)C4)cc1 ZINC000020290858 553635410 /nfs/dbraw/zinc/63/54/10/553635410.db2.gz OMNHOQGLWXDJIS-UHFFFAOYSA-N 1 2 520.680 4.242 50 0 KIAALO CCOc1ccc(-n2c(SCC(=O)NCc3ccccc3)nc3sc4c(c3c2=O)CC[N@H+](C)C4)cc1 ZINC000020290858 553635406 /nfs/dbraw/zinc/63/54/06/553635406.db2.gz OMNHOQGLWXDJIS-UHFFFAOYSA-N 1 2 520.680 4.242 50 0 KIAALO C[N@H+]1CCc2c(sc3nc(SCC(=O)NCc4ccco4)n(-c4ccc(Cl)cc4)c(=O)c32)C1 ZINC000020357605 553642627 /nfs/dbraw/zinc/64/26/27/553642627.db2.gz JQOWEVLYFCRRGL-UHFFFAOYSA-N 1 2 501.033 4.090 50 0 KIAALO C[N@@H+]1CCc2c(sc3nc(SCC(=O)NCc4ccco4)n(-c4ccc(Cl)cc4)c(=O)c32)C1 ZINC000020357605 553642624 /nfs/dbraw/zinc/64/26/24/553642624.db2.gz JQOWEVLYFCRRGL-UHFFFAOYSA-N 1 2 501.033 4.090 50 0 KIAALO CCCc1nnc(NC(=O)CCC(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)s1 ZINC000020357848 553642558 /nfs/dbraw/zinc/64/25/58/553642558.db2.gz HPQZDTUGVMNBRV-UHFFFAOYSA-N 1 2 521.687 4.160 50 0 KIAALO COc1ccc(-n2c(SCC(=O)Nc3cccc(OC)c3)nc3sc4c(c3c2=O)CC[N@@H+](C)C4)cc1 ZINC000020358155 553642663 /nfs/dbraw/zinc/64/26/63/553642663.db2.gz ZYBSOXHXNVTJHQ-UHFFFAOYSA-N 1 2 522.652 4.183 50 0 KIAALO COc1ccc(-n2c(SCC(=O)Nc3cccc(OC)c3)nc3sc4c(c3c2=O)CC[N@H+](C)C4)cc1 ZINC000020358155 553642661 /nfs/dbraw/zinc/64/26/61/553642661.db2.gz ZYBSOXHXNVTJHQ-UHFFFAOYSA-N 1 2 522.652 4.183 50 0 KIAALO COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(OC)cc2)CC[N@H+](C)C4)cc1 ZINC000020358362 553642903 /nfs/dbraw/zinc/64/29/03/553642903.db2.gz BEEOSKTYUZKRCH-UHFFFAOYSA-N 1 2 522.652 4.183 50 0 KIAALO COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(OC)cc2)CC[N@@H+](C)C4)cc1 ZINC000020358362 553642901 /nfs/dbraw/zinc/64/29/01/553642901.db2.gz BEEOSKTYUZKRCH-UHFFFAOYSA-N 1 2 522.652 4.183 50 0 KIAALO O=C1c2cccc(N3CC[NH+](Cc4c(F)cccc4Cl)CC3)c2C(=O)N1C[C@@H]1COc2ccccc2O1 ZINC000020362917 553642871 /nfs/dbraw/zinc/64/28/71/553642871.db2.gz FVVYPDBMFNCLDM-GOSISDBHSA-N 1 2 521.976 4.237 50 0 KIAALO O=C1c2cccc(N3CC[NH+](Cc4c(F)cccc4Cl)CC3)c2C(=O)N1C[C@H]1COc2ccccc2O1 ZINC000020362919 553642934 /nfs/dbraw/zinc/64/29/34/553642934.db2.gz FVVYPDBMFNCLDM-SFHVURJKSA-N 1 2 521.976 4.237 50 0 KIAALO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Br)c1)N(CCC[NH+]1CCOCC1)C3=O ZINC000020363852 553643184 /nfs/dbraw/zinc/64/31/84/553643184.db2.gz JCJZVOSJWDMMPW-QHCPKHFHSA-N 1 2 511.416 4.440 50 0 KIAALO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Br)c1)N(CCC[NH+]1CCOCC1)C3=O ZINC000020363854 553643274 /nfs/dbraw/zinc/64/32/74/553643274.db2.gz JCJZVOSJWDMMPW-HSZRJFAPSA-N 1 2 511.416 4.440 50 0 KIAALO O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3[nH+]c4ccccc4n3Cc3ccccc3F)CC2)CC1 ZINC000020382695 553643799 /nfs/dbraw/zinc/64/37/99/553643799.db2.gz NZFDFTYVMCDKCB-UHFFFAOYSA-N 1 2 515.589 4.018 50 0 KIAALO O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 ZINC000020382700 553643802 /nfs/dbraw/zinc/64/38/02/553643802.db2.gz CGBMCYXXINXNMM-UHFFFAOYSA-N 1 2 515.589 4.018 50 0 KIAALO O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3[nH+]c4ccccc4n3Cc3cccc(F)c3)CC2)CC1 ZINC000020382708 553643808 /nfs/dbraw/zinc/64/38/08/553643808.db2.gz HIOIWMULPGZMEI-UHFFFAOYSA-N 1 2 515.589 4.018 50 0 KIAALO Cc1ccc(Cn2c3cnccc3nc2SCc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000020388960 553644672 /nfs/dbraw/zinc/64/46/72/553644672.db2.gz YCFFFONIXYWEHU-UHFFFAOYSA-N 1 2 501.656 4.142 50 0 KIAALO Cc1cccc(Cn2c3cnccc3nc2SCc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)c1 ZINC000020388965 553644741 /nfs/dbraw/zinc/64/47/41/553644741.db2.gz QOBNQPRTFLYNFT-UHFFFAOYSA-N 1 2 501.656 4.142 50 0 KIAALO Cc1ccccc1Cn1c2ccccc2[nH+]c1N1CCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000020389003 553644748 /nfs/dbraw/zinc/64/47/48/553644748.db2.gz NJSAKVDWDYXBDP-UHFFFAOYSA-N 1 2 511.626 4.187 50 0 KIAALO Cc1ccccc1Cn1c2cnccc2nc1SCc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000020389031 553644730 /nfs/dbraw/zinc/64/47/30/553644730.db2.gz MKSPERDNTQIBFF-UHFFFAOYSA-N 1 2 501.656 4.142 50 0 KIAALO Cc1cccc(Cn2c(SCc3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)nc3cccnc32)c1 ZINC000020389423 553644717 /nfs/dbraw/zinc/64/47/17/553644717.db2.gz XDSXFJXWUVXLIB-UHFFFAOYSA-N 1 2 501.656 4.142 50 0 KIAALO Cc1sc2nc(SCC(=O)Nc3cccc(C)c3C)n(CCC[NH+]3CCOCC3)c(=O)c2c1C ZINC000020417817 553647707 /nfs/dbraw/zinc/64/77/07/553647707.db2.gz RWAMNUMJDHIEEC-UHFFFAOYSA-N 1 2 500.690 4.145 50 0 KIAALO O=C(Cc1c(Cl)cccc1Cl)NCC[NH+]1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000020428913 553648316 /nfs/dbraw/zinc/64/83/16/553648316.db2.gz RPPXSDGBWCFBCX-UHFFFAOYSA-N 1 2 503.257 4.346 50 0 KIAALO C[N@H+]1CCc2c(sc3nc(SCC(=O)Nc4nccs4)n(-c4ccc(Cl)cc4)c(=O)c23)C1 ZINC000020442408 553649582 /nfs/dbraw/zinc/64/95/82/553649582.db2.gz DUYSHBYTUUKKPG-UHFFFAOYSA-N 1 2 504.062 4.276 50 0 KIAALO C[N@@H+]1CCc2c(sc3nc(SCC(=O)Nc4nccs4)n(-c4ccc(Cl)cc4)c(=O)c23)C1 ZINC000020442408 553649581 /nfs/dbraw/zinc/64/95/81/553649581.db2.gz DUYSHBYTUUKKPG-UHFFFAOYSA-N 1 2 504.062 4.276 50 0 KIAALO CCOC(=O)CCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(Cl)c1)CC[N@H+](C)C3 ZINC000020442600 553649593 /nfs/dbraw/zinc/64/95/93/553649593.db2.gz WGLXLJNMUMPQTF-UHFFFAOYSA-N 1 2 518.064 4.172 50 0 KIAALO CCOC(=O)CCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(Cl)c1)CC[N@@H+](C)C3 ZINC000020442600 553649592 /nfs/dbraw/zinc/64/95/92/553649592.db2.gz WGLXLJNMUMPQTF-UHFFFAOYSA-N 1 2 518.064 4.172 50 0 KIAALO C[N@H+]1CCc2c(sc3nc(SCC(=O)Nc4nccs4)n(-c4cccc(Cl)c4)c(=O)c23)C1 ZINC000020444519 553649585 /nfs/dbraw/zinc/64/95/85/553649585.db2.gz GCMMPTVFCCHLLD-UHFFFAOYSA-N 1 2 504.062 4.276 50 0 KIAALO C[N@@H+]1CCc2c(sc3nc(SCC(=O)Nc4nccs4)n(-c4cccc(Cl)c4)c(=O)c23)C1 ZINC000020444519 553649584 /nfs/dbraw/zinc/64/95/84/553649584.db2.gz GCMMPTVFCCHLLD-UHFFFAOYSA-N 1 2 504.062 4.276 50 0 KIAALO Cc1cccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CC[N@H+](C)C4)c1 ZINC000020461625 553656124 /nfs/dbraw/zinc/65/61/24/553656124.db2.gz WDFJCPZSPVFJOD-UHFFFAOYSA-N 1 2 516.652 4.122 50 0 KIAALO Cc1cccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CC[N@@H+](C)C4)c1 ZINC000020461625 553656123 /nfs/dbraw/zinc/65/61/23/553656123.db2.gz WDFJCPZSPVFJOD-UHFFFAOYSA-N 1 2 516.652 4.122 50 0 KIAALO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2C)c1C ZINC000020472191 553657385 /nfs/dbraw/zinc/65/73/85/553657385.db2.gz IFQURRFLKUBXLV-UHFFFAOYSA-N 1 2 521.639 4.099 50 0 KIAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000020479098 553657314 /nfs/dbraw/zinc/65/73/14/553657314.db2.gz ROSJXZCTBXSMQH-UHFFFAOYSA-N 1 2 515.433 4.058 50 0 KIAALO COc1ccc([C@@H](CC(=O)NCCC[NH+]2CCOCC2)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000020500971 553667706 /nfs/dbraw/zinc/66/77/06/553667706.db2.gz GBGGOBFAKQMWIK-JOCHJYFZSA-N 1 2 516.067 4.196 50 0 KIAALO COc1ccc([C@H](CC(=O)NCCC[NH+]2CCOCC2)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000020500973 553667738 /nfs/dbraw/zinc/66/77/38/553667738.db2.gz GBGGOBFAKQMWIK-QFIPXVFZSA-N 1 2 516.067 4.196 50 0 KIAALO O=C(CCCCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020508669 553668433 /nfs/dbraw/zinc/66/84/33/553668433.db2.gz ZHJUYVRFDZTBKU-KAVGSWPWSA-N 1 2 514.714 4.262 50 0 KIAALO Cc1c(CC(=O)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(=O)oc2cc(O)cc(O)c12 ZINC000020573445 553674895 /nfs/dbraw/zinc/67/48/95/553674895.db2.gz XYPGMQJNFJOQEY-UHFFFAOYSA-N 1 2 520.532 4.267 50 0 KIAALO Cc1c(Cl)cccc1-n1ncc(C(=O)N2CC[NH+](C)CC2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000020576154 553676202 /nfs/dbraw/zinc/67/62/02/553676202.db2.gz KDLXIGRTINZSNC-UHFFFAOYSA-N 1 2 502.059 4.336 50 0 KIAALO Cc1ccc(CNC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCC[NH+]2CCOCC2)cc1 ZINC000020640957 553681722 /nfs/dbraw/zinc/68/17/22/553681722.db2.gz OYYBJFDSXJKHCG-UHFFFAOYSA-N 1 2 522.696 4.050 50 0 KIAALO COc1ccccc1NC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000020640960 553681836 /nfs/dbraw/zinc/68/18/36/553681836.db2.gz MPVJFAVDHKQSNV-UHFFFAOYSA-N 1 2 524.668 4.073 50 0 KIAALO COc1cccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCC[NH+]2CCOCC2)c1 ZINC000020640962 553681842 /nfs/dbraw/zinc/68/18/42/553681842.db2.gz XLWQYEOWOFRZOA-UHFFFAOYSA-N 1 2 524.668 4.073 50 0 KIAALO COc1ccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCC[NH+]2CCOCC2)cc1 ZINC000020640964 553681802 /nfs/dbraw/zinc/68/18/02/553681802.db2.gz FQWNFSXGJGAODS-UHFFFAOYSA-N 1 2 524.668 4.073 50 0 KIAALO O=C(CSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCOCC1)Nc1ccc(F)cc1 ZINC000020640966 553681774 /nfs/dbraw/zinc/68/17/74/553681774.db2.gz SJJYLIWIZRAMFF-UHFFFAOYSA-N 1 2 512.632 4.203 50 0 KIAALO O=C(CSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCOCC1)NCCC1=CCCCC1 ZINC000020640973 553681756 /nfs/dbraw/zinc/68/17/56/553681756.db2.gz BUILKARGVAWFPJ-UHFFFAOYSA-N 1 2 526.728 4.432 50 0 KIAALO O=C(CCCCCn1c(=O)c2cc3c(cc2[nH]c1=S)OCO3)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020644408 553684364 /nfs/dbraw/zinc/68/43/64/553684364.db2.gz HCGZDKLDAQOEHR-UHFFFAOYSA-N 1 2 508.644 4.129 50 0 KIAALO Cc1c(C)c2c(OCC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000020760122 553695445 /nfs/dbraw/zinc/69/54/45/553695445.db2.gz FUIITMUAOIPTIA-UHFFFAOYSA-N 1 2 506.599 4.363 50 0 biogenic KIAALO COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccc(C[NH+]5CCOCC5)cc4)c(C)c13)CCC(C)(C)O2 ZINC000020760381 553695916 /nfs/dbraw/zinc/69/59/16/553695916.db2.gz SEEHLVHNYCGONB-UHFFFAOYSA-N 1 2 506.599 4.227 50 0 biogenic KIAALO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)sc2ncnc(N3CCN(c4ccccc4F)CC3)c12 ZINC000020762582 553696144 /nfs/dbraw/zinc/69/61/44/553696144.db2.gz YPXKDILITOWJAG-UHFFFAOYSA-N 1 2 530.673 4.423 50 0 KIAALO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12 ZINC000020762630 553696164 /nfs/dbraw/zinc/69/61/64/553696164.db2.gz XNKVYQSPVOWWTC-UHFFFAOYSA-N 1 2 512.683 4.284 50 0 KIAALO Cc1cccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)c1 ZINC000020864358 553700425 /nfs/dbraw/zinc/70/04/25/553700425.db2.gz GSUUPOCHPGYILE-UHFFFAOYSA-N 1 2 501.656 4.142 50 0 KIAALO Cc1ccccc1CSc1nc2ccncc2n1Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000020864367 553700417 /nfs/dbraw/zinc/70/04/17/553700417.db2.gz MJMOXWFEXJAWOS-UHFFFAOYSA-N 1 2 501.656 4.142 50 0 KIAALO CC[NH+](CC)CCNc1sc(S(=O)(=O)c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000021148752 553707628 /nfs/dbraw/zinc/70/76/28/553707628.db2.gz PHMAAHNCEABTNU-UHFFFAOYSA-N 1 2 507.703 4.179 50 0 KIAALO Cc1ccc(C)c(Cn2c3ccccc3[nH+]c2N2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)c1 ZINC000021162554 553708619 /nfs/dbraw/zinc/70/86/19/553708619.db2.gz IGXDOXMLCTUYEW-UHFFFAOYSA-N 1 2 509.658 4.057 50 0 KIAALO CCOC(=O)N1CCC(NC(=O)C2CCN(c3[nH+]c4ccccc4n3Cc3ccc(C)cc3)CC2)CC1 ZINC000021162717 553708842 /nfs/dbraw/zinc/70/88/42/553708842.db2.gz SCXZJTHWBKUNPG-UHFFFAOYSA-N 1 2 503.647 4.347 50 0 KIAALO Fc1ccc(N2CC[NH+](Cc3cccn3-c3nnc(N4CCN(c5ccccc5)CC4)s3)CC2)cc1 ZINC000021531648 553710411 /nfs/dbraw/zinc/71/04/11/553710411.db2.gz XOFPSGDZADTOPC-UHFFFAOYSA-N 1 2 503.651 4.117 50 0 KIAALO COc1cccc(COc2coc(C[N@H+]3CCCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)cc2=O)c1 ZINC000022338362 553737726 /nfs/dbraw/zinc/73/77/26/553737726.db2.gz ZBDDVXZNMYUJNP-UHFFFAOYSA-N 1 2 506.643 4.478 50 0 KIAALO COc1cccc(COc2coc(C[N@@H+]3CCCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)cc2=O)c1 ZINC000022338362 553737723 /nfs/dbraw/zinc/73/77/23/553737723.db2.gz ZBDDVXZNMYUJNP-UHFFFAOYSA-N 1 2 506.643 4.478 50 0 KIAALO CCOC(=O)CCCC(=O)N1CC[NH+](C[C@@H](OCc2cccc(OC)c2)c2ccc(Cl)cc2)CC1 ZINC000022661837 553748719 /nfs/dbraw/zinc/74/87/19/553748719.db2.gz XFDDCOKQFOCZHQ-RUZDIDTESA-N 1 2 503.039 4.484 50 0 KIAALO CCOC(=O)CCCC(=O)N1CC[NH+](C[C@H](OCc2cccc(OC)c2)c2ccc(Cl)cc2)CC1 ZINC000022661841 553748790 /nfs/dbraw/zinc/74/87/90/553748790.db2.gz XFDDCOKQFOCZHQ-VWLOTQADSA-N 1 2 503.039 4.484 50 0 KIAALO COCCOCC(=O)N1CC[NH+](C[C@@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1 ZINC000022672159 553749512 /nfs/dbraw/zinc/74/95/12/553749512.db2.gz UFPVXOSIIHSPMC-HSZRJFAPSA-N 1 2 514.972 4.424 50 0 KIAALO COCCOCC(=O)N1CC[NH+](C[C@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1 ZINC000022672163 553749411 /nfs/dbraw/zinc/74/94/11/553749411.db2.gz UFPVXOSIIHSPMC-QHCPKHFHSA-N 1 2 514.972 4.424 50 0 KIAALO CCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000022783902 553749972 /nfs/dbraw/zinc/74/99/72/553749972.db2.gz HCICHSJHGUSYMF-AREMUKBSSA-N 1 2 505.565 4.403 50 0 KIAALO CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccccc3Cl)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000022795284 553750764 /nfs/dbraw/zinc/75/07/64/553750764.db2.gz FBROXDFLAQCHHU-UHFFFAOYSA-N 1 2 559.155 4.398 50 0 KIAALO CC[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccccc3Cl)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000022795284 553750760 /nfs/dbraw/zinc/75/07/60/553750760.db2.gz FBROXDFLAQCHHU-UHFFFAOYSA-N 1 2 559.155 4.398 50 0 KIAALO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)CN1CC[NH2+]CC1 ZINC000022796457 553750856 /nfs/dbraw/zinc/75/08/56/553750856.db2.gz RYBWQILOABJXMO-AWEZNQCLSA-N 1 2 546.101 4.348 50 0 KIAALO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000022853014 1064278159 /nfs/dbraw/zinc/27/81/59/1064278159.db2.gz KGZJGTJXWCRSGZ-UHFFFAOYSA-N 1 2 571.143 4.294 50 0 KIAALO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000022919475 553766724 /nfs/dbraw/zinc/76/67/24/553766724.db2.gz LKNDKTFWWYCXDU-UHFFFAOYSA-N 1 2 523.655 4.365 50 0 KIAALO Cc1cccc(NC(=O)CNC(=O)CN2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1C ZINC000022920191 553766828 /nfs/dbraw/zinc/76/68/28/553766828.db2.gz RZEJEQRVGQJDJC-UHFFFAOYSA-N 1 2 506.597 4.044 50 0 KIAALO NC(=O)c1c(NC(=O)CN2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)sc2c1CCCC2 ZINC000022921522 553767127 /nfs/dbraw/zinc/76/71/27/553767127.db2.gz UVDUHTSGLICEPC-UHFFFAOYSA-N 1 2 524.637 4.350 50 0 KIAALO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000022925202 553767358 /nfs/dbraw/zinc/76/73/58/553767358.db2.gz AQURWSWUNKSOEN-UHFFFAOYSA-N 1 2 523.655 4.365 50 0 KIAALO CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000022925386 553767325 /nfs/dbraw/zinc/76/73/25/553767325.db2.gz HZUNLEAKZBLUGZ-UHFFFAOYSA-N 1 2 527.643 4.267 50 0 KIAALO CCOC(=O)c1c(N)sc(C(=O)NC)c1CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022926802 553767561 /nfs/dbraw/zinc/76/75/61/553767561.db2.gz HEWNXOJHVHXXBI-UHFFFAOYSA-N 1 2 528.625 4.052 50 0 KIAALO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000022928792 553767876 /nfs/dbraw/zinc/76/78/76/553767876.db2.gz MNPJMNWMTQQFNC-UHFFFAOYSA-N 1 2 523.655 4.365 50 0 KIAALO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022940530 553768490 /nfs/dbraw/zinc/76/84/90/553768490.db2.gz HPOJJMZJFAVSJQ-UHFFFAOYSA-N 1 2 507.612 4.077 50 0 KIAALO O=C(Cc1cccs1)N1CCC[C@@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000023159055 553771289 /nfs/dbraw/zinc/77/12/89/553771289.db2.gz KSBGSJUZFHPLAY-AREMUKBSSA-N 1 2 504.700 4.321 50 0 KIAALO O=C(Cc1cccs1)N1CCC[C@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000023159058 553771393 /nfs/dbraw/zinc/77/13/93/553771393.db2.gz KSBGSJUZFHPLAY-SANMLTNESA-N 1 2 504.700 4.321 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 ZINC000023224592 553771743 /nfs/dbraw/zinc/77/17/43/553771743.db2.gz WFNIIIHIOJOLDE-QOMWVZHYSA-N 1 2 506.002 4.352 50 0 KIAALO O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 ZINC000023224760 553771716 /nfs/dbraw/zinc/77/17/16/553771716.db2.gz IVNHYUNYJIZPKN-UHFFFAOYSA-N 1 2 510.566 4.052 50 0 KIAALO CC(C)(C)c1ccc(COc2coc(C[N@H+]3CCCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cc2=O)cc1 ZINC000023304274 553771976 /nfs/dbraw/zinc/77/19/76/553771976.db2.gz OVJUMBLGICXSTC-LJAQVGFWSA-N 1 2 532.637 4.391 50 0 KIAALO CC(C)(C)c1ccc(COc2coc(C[N@@H+]3CCCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cc2=O)cc1 ZINC000023304274 553771973 /nfs/dbraw/zinc/77/19/73/553771973.db2.gz OVJUMBLGICXSTC-LJAQVGFWSA-N 1 2 532.637 4.391 50 0 KIAALO CC(C)(C)c1ccc(COc2coc(C[N@H+]3CCCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cc2=O)cc1 ZINC000023304276 553771937 /nfs/dbraw/zinc/77/19/37/553771937.db2.gz OVJUMBLGICXSTC-GDLZYMKVSA-N 1 2 532.637 4.391 50 0 KIAALO CC(C)(C)c1ccc(COc2coc(C[N@@H+]3CCCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cc2=O)cc1 ZINC000023304276 553771934 /nfs/dbraw/zinc/77/19/34/553771934.db2.gz OVJUMBLGICXSTC-GDLZYMKVSA-N 1 2 532.637 4.391 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)c2cccc(OC)c2)cc1 ZINC000023304386 553771945 /nfs/dbraw/zinc/77/19/45/553771945.db2.gz FGRBXKKKVJDHKW-MHZLTWQESA-N 1 2 509.647 4.400 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)c2cccc(OC)c2)cc1 ZINC000023304388 553771925 /nfs/dbraw/zinc/77/19/25/553771925.db2.gz FGRBXKKKVJDHKW-HHHXNRCGSA-N 1 2 509.647 4.400 50 0 KIAALO COc1ccc(C(=O)N2CCC[N@@H+](Cc3cc(=O)c(OCc4ccc(SC)cc4)co3)CC2)cc1OC ZINC000023304624 553772012 /nfs/dbraw/zinc/77/20/12/553772012.db2.gz CSDUONMVBASOAZ-UHFFFAOYSA-N 1 2 524.639 4.306 50 0 KIAALO COc1ccc(C(=O)N2CCC[N@H+](Cc3cc(=O)c(OCc4ccc(SC)cc4)co3)CC2)cc1OC ZINC000023304624 553772010 /nfs/dbraw/zinc/77/20/10/553772010.db2.gz CSDUONMVBASOAZ-UHFFFAOYSA-N 1 2 524.639 4.306 50 0 KIAALO COc1cc2c(cc1OC)CN(C(=O)COc1ccc(-c3ccc(F)cc3)cc1C[NH+]1CCN(C)CC1)CC2 ZINC000023358473 553774487 /nfs/dbraw/zinc/77/44/87/553774487.db2.gz BFTZPQZOTZPISS-UHFFFAOYSA-N 1 2 533.644 4.221 50 0 KIAALO Cc1nc(CC(=O)N2CCC[C@@H](COc3ccc(CN4CC[NH+](Cc5cccnc5)CC4)cc3)C2)cs1 ZINC000023361661 553774749 /nfs/dbraw/zinc/77/47/49/553774749.db2.gz LPOJRFXMTQDKGV-AREMUKBSSA-N 1 2 519.715 4.024 50 0 KIAALO Cc1nc(CC(=O)N2CCC[C@H](COc3ccc(CN4CC[NH+](Cc5cccnc5)CC4)cc3)C2)cs1 ZINC000023361663 553774753 /nfs/dbraw/zinc/77/47/53/553774753.db2.gz LPOJRFXMTQDKGV-SANMLTNESA-N 1 2 519.715 4.024 50 0 KIAALO COc1ccc(/C=C/C(=O)NC[C@@H](C)Oc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)cc1OC ZINC000023362045 553774811 /nfs/dbraw/zinc/77/48/11/553774811.db2.gz RFQPYXZGIBDXAT-GPOLZQFCSA-N 1 2 530.669 4.014 50 0 KIAALO COc1ccc(/C=C/C(=O)NC[C@H](C)Oc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)cc1OC ZINC000023362047 553774838 /nfs/dbraw/zinc/77/48/38/553774838.db2.gz RFQPYXZGIBDXAT-JEAXJQIYSA-N 1 2 530.669 4.014 50 0 KIAALO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000023363189 553774758 /nfs/dbraw/zinc/77/47/58/553774758.db2.gz FYACFANXRNRXLF-MUUNZHRXSA-N 1 2 516.661 4.399 50 0 KIAALO O=C(Cc1ccc(F)cc1)N1CCC[C@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000023363190 553774767 /nfs/dbraw/zinc/77/47/67/553774767.db2.gz FYACFANXRNRXLF-NDEPHWFRSA-N 1 2 516.661 4.399 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023429578 553775662 /nfs/dbraw/zinc/77/56/62/553775662.db2.gz DRZXYFIZZKZXJP-NDEPHWFRSA-N 1 2 502.611 4.127 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023429584 553775638 /nfs/dbraw/zinc/77/56/38/553775638.db2.gz DRZXYFIZZKZXJP-MUUNZHRXSA-N 1 2 502.611 4.127 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cc(C)oc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023435370 553776842 /nfs/dbraw/zinc/77/68/42/553776842.db2.gz MZPQEKHFBMXSEL-MHZLTWQESA-N 1 2 506.599 4.408 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cc(C)oc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023435374 553776716 /nfs/dbraw/zinc/77/67/16/553776716.db2.gz MZPQEKHFBMXSEL-HHHXNRCGSA-N 1 2 506.599 4.408 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3c(C)noc3C)CC2)c2ccc(Cl)cc2)cc1 ZINC000023437430 553777357 /nfs/dbraw/zinc/77/73/57/553777357.db2.gz HAHBEVCFKMIJDY-DEOSSOPVSA-N 1 2 512.006 4.447 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3c(C)noc3C)CC2)c2ccc(Cl)cc2)cc1 ZINC000023437434 553777360 /nfs/dbraw/zinc/77/73/60/553777360.db2.gz HAHBEVCFKMIJDY-XMMPIXPASA-N 1 2 512.006 4.447 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023438203 553777393 /nfs/dbraw/zinc/77/73/93/553777393.db2.gz FEJGCDTXNMBRDL-MHZLTWQESA-N 1 2 506.574 4.337 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023438206 553777342 /nfs/dbraw/zinc/77/73/42/553777342.db2.gz FEJGCDTXNMBRDL-HHHXNRCGSA-N 1 2 506.574 4.337 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023439031 553777612 /nfs/dbraw/zinc/77/76/12/553777612.db2.gz ITZJSOLXUWYWEW-MHZLTWQESA-N 1 2 506.574 4.337 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023439035 553777734 /nfs/dbraw/zinc/77/77/34/553777734.db2.gz ITZJSOLXUWYWEW-HHHXNRCGSA-N 1 2 506.574 4.337 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Cc3ccc(F)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023439701 553777985 /nfs/dbraw/zinc/77/79/85/553777985.db2.gz CKGOVLMPTUPNOI-NDEPHWFRSA-N 1 2 520.601 4.266 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Cc3ccc(F)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023439704 553777963 /nfs/dbraw/zinc/77/79/63/553777963.db2.gz CKGOVLMPTUPNOI-MUUNZHRXSA-N 1 2 520.601 4.266 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000023439923 553777971 /nfs/dbraw/zinc/77/79/71/553777971.db2.gz CDFVQIYHJQGFFH-MHZLTWQESA-N 1 2 506.574 4.337 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000023439927 553777994 /nfs/dbraw/zinc/77/79/94/553777994.db2.gz CDFVQIYHJQGFFH-HHHXNRCGSA-N 1 2 506.574 4.337 50 0 KIAALO CC(=O)N[C@H](CC(C)C)C(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000023440039 553778176 /nfs/dbraw/zinc/77/81/76/553778176.db2.gz SWHCEFCHZQMDKZ-XMMPIXPASA-N 1 2 510.038 4.252 50 0 KIAALO CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000023440042 553778283 /nfs/dbraw/zinc/77/82/83/553778283.db2.gz SWHCEFCHZQMDKZ-DEOSSOPVSA-N 1 2 510.038 4.252 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Cc3cccs3)CC2)c2cccc(OC)c2)cc1 ZINC000023440439 553778247 /nfs/dbraw/zinc/77/82/47/553778247.db2.gz ULHLGVUSAGHLMM-SANMLTNESA-N 1 2 508.640 4.188 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Cc3cccs3)CC2)c2cccc(OC)c2)cc1 ZINC000023440442 553778286 /nfs/dbraw/zinc/77/82/86/553778286.db2.gz ULHLGVUSAGHLMM-AREMUKBSSA-N 1 2 508.640 4.188 50 0 KIAALO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000023442034 553778861 /nfs/dbraw/zinc/77/88/61/553778861.db2.gz FCHLTZOLXDFSLT-UHFFFAOYSA-N 1 2 501.048 4.461 50 0 KIAALO COc1cccc(S(=O)(=O)N2CC[NH+](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000023443674 553779376 /nfs/dbraw/zinc/77/93/76/553779376.db2.gz FGUQUXGHNVOOPD-UHFFFAOYSA-N 1 2 502.583 4.086 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccc(OC)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023443976 553779419 /nfs/dbraw/zinc/77/94/19/553779419.db2.gz MBTDOQMZRZZLFJ-NDEPHWFRSA-N 1 2 518.610 4.206 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccc(OC)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023443981 553779350 /nfs/dbraw/zinc/77/93/50/553779350.db2.gz MBTDOQMZRZZLFJ-MUUNZHRXSA-N 1 2 518.610 4.206 50 0 KIAALO COc1cccc(S(=O)(=O)N2CC[NH+](CCO[C@@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)c1 ZINC000023444797 553779604 /nfs/dbraw/zinc/77/96/04/553779604.db2.gz VIWBXFPWWOKTSN-SANMLTNESA-N 1 2 502.583 4.086 50 0 KIAALO COc1cccc(S(=O)(=O)N2CC[NH+](CCO[C@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)c1 ZINC000023444800 553779641 /nfs/dbraw/zinc/77/96/41/553779641.db2.gz VIWBXFPWWOKTSN-AREMUKBSSA-N 1 2 502.583 4.086 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccccc3OC)CC2)c2cccc(OC)c2)cc1 ZINC000023445134 553780013 /nfs/dbraw/zinc/78/00/13/553780013.db2.gz MONKWYVABLKXHA-NDEPHWFRSA-N 1 2 518.610 4.206 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccccc3OC)CC2)c2cccc(OC)c2)cc1 ZINC000023445137 553779936 /nfs/dbraw/zinc/77/99/36/553779936.db2.gz MONKWYVABLKXHA-MUUNZHRXSA-N 1 2 518.610 4.206 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(Cl)nc3)CC2)c2cccc(OC)c2)cc1 ZINC000023445441 553779948 /nfs/dbraw/zinc/77/99/48/553779948.db2.gz LQYKMEXYRIGQJZ-VWLOTQADSA-N 1 2 524.017 4.246 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(Cl)nc3)CC2)c2cccc(OC)c2)cc1 ZINC000023445444 553779993 /nfs/dbraw/zinc/77/99/93/553779993.db2.gz LQYKMEXYRIGQJZ-RUZDIDTESA-N 1 2 524.017 4.246 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023446721 553780592 /nfs/dbraw/zinc/78/05/92/553780592.db2.gz KCWOIQFJKXYXDP-MHZLTWQESA-N 1 2 524.564 4.476 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023446723 553780630 /nfs/dbraw/zinc/78/06/30/553780630.db2.gz KCWOIQFJKXYXDP-HHHXNRCGSA-N 1 2 524.564 4.476 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccnc3Cl)CC2)c2cccc(OC)c2)cc1 ZINC000023446793 553780587 /nfs/dbraw/zinc/78/05/87/553780587.db2.gz JVTYSPSTHDTWCA-VWLOTQADSA-N 1 2 524.017 4.246 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccnc3Cl)CC2)c2cccc(OC)c2)cc1 ZINC000023446795 553780574 /nfs/dbraw/zinc/78/05/74/553780574.db2.gz JVTYSPSTHDTWCA-RUZDIDTESA-N 1 2 524.017 4.246 50 0 KIAALO O=S(=O)(c1cc(F)cc(F)c1)N1CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023446981 553780581 /nfs/dbraw/zinc/78/05/81/553780581.db2.gz LFDAERHLYICOKX-UHFFFAOYSA-N 1 2 508.537 4.356 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023447007 553780599 /nfs/dbraw/zinc/78/05/99/553780599.db2.gz OEJUYTIJMAKFCF-MHZLTWQESA-N 1 2 524.564 4.476 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023447009 553780874 /nfs/dbraw/zinc/78/08/74/553780874.db2.gz OEJUYTIJMAKFCF-HHHXNRCGSA-N 1 2 524.564 4.476 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)c2cccc(OC)c2)cc1 ZINC000023447085 553780837 /nfs/dbraw/zinc/78/08/37/553780837.db2.gz LGVYPFOSVJLXEK-MHZLTWQESA-N 1 2 524.564 4.476 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)c2cccc(OC)c2)cc1 ZINC000023447087 553780853 /nfs/dbraw/zinc/78/08/53/553780853.db2.gz LGVYPFOSVJLXEK-HHHXNRCGSA-N 1 2 524.564 4.476 50 0 KIAALO O=S(=O)(c1cc(F)ccc1F)N1CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023447392 553780844 /nfs/dbraw/zinc/78/08/44/553780844.db2.gz FBHFAUJGNMHKQF-UHFFFAOYSA-N 1 2 508.537 4.356 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cc(F)ccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000023447403 553780820 /nfs/dbraw/zinc/78/08/20/553780820.db2.gz DAWTVWLGNWKEBJ-MHZLTWQESA-N 1 2 524.564 4.476 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cc(F)ccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000023447405 553780815 /nfs/dbraw/zinc/78/08/15/553780815.db2.gz DAWTVWLGNWKEBJ-HHHXNRCGSA-N 1 2 524.564 4.476 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccc(F)c3F)CC2)c2cccc(OC)c2)cc1 ZINC000023447512 553781126 /nfs/dbraw/zinc/78/11/26/553781126.db2.gz JPACBQHVZQDIJM-SANMLTNESA-N 1 2 524.564 4.476 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccc(F)c3F)CC2)c2cccc(OC)c2)cc1 ZINC000023447515 553781108 /nfs/dbraw/zinc/78/11/08/553781108.db2.gz JPACBQHVZQDIJM-AREMUKBSSA-N 1 2 524.564 4.476 50 0 KIAALO O=S(=O)(c1cc(F)cc(F)c1)N1CC[NH+](CCO[C@@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023447675 553781149 /nfs/dbraw/zinc/78/11/49/553781149.db2.gz XALRMGAYIQIXCX-VWLOTQADSA-N 1 2 508.537 4.356 50 0 KIAALO O=S(=O)(c1cc(F)cc(F)c1)N1CC[NH+](CCO[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023447678 553781068 /nfs/dbraw/zinc/78/10/68/553781068.db2.gz XALRMGAYIQIXCX-RUZDIDTESA-N 1 2 508.537 4.356 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000023448072 553781131 /nfs/dbraw/zinc/78/11/31/553781131.db2.gz PYLLNEAFXNLSMD-SANMLTNESA-N 1 2 524.564 4.476 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000023448075 553781144 /nfs/dbraw/zinc/78/11/44/553781144.db2.gz PYLLNEAFXNLSMD-AREMUKBSSA-N 1 2 524.564 4.476 50 0 KIAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023448170 553781177 /nfs/dbraw/zinc/78/11/77/553781177.db2.gz LWORLZMKXJSXLB-MUUNZHRXSA-N 1 2 510.656 4.277 50 0 KIAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023448173 553781402 /nfs/dbraw/zinc/78/14/02/553781402.db2.gz LWORLZMKXJSXLB-NDEPHWFRSA-N 1 2 510.656 4.277 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3snnc3C)CC2)c2ccc(Cl)cc2)cc1 ZINC000023448420 553781353 /nfs/dbraw/zinc/78/13/53/553781353.db2.gz IRMBZSXSARGEME-QFIPXVFZSA-N 1 2 515.035 4.002 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3snnc3C)CC2)c2ccc(Cl)cc2)cc1 ZINC000023448423 553781328 /nfs/dbraw/zinc/78/13/28/553781328.db2.gz IRMBZSXSARGEME-JOCHJYFZSA-N 1 2 515.035 4.002 50 0 KIAALO CCOC(=O)C1=C(CSc2[nH+]cnc3c2cnn3-c2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000023989440 553787819 /nfs/dbraw/zinc/78/78/19/553787819.db2.gz DVVVTBXMBAIQKM-OAQYLSRUSA-N 1 2 521.002 4.432 50 0 KIAALO CCOC(=O)C1=C(CSc2[nH+]cnc3c2cnn3-c2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000023989441 553787838 /nfs/dbraw/zinc/78/78/38/553787838.db2.gz DVVVTBXMBAIQKM-NRFANRHFSA-N 1 2 521.002 4.432 50 0 KIAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc4cccc5c4c3CC5)cc2)[nH+]1 ZINC000024023405 553788370 /nfs/dbraw/zinc/78/83/70/553788370.db2.gz KSEFVOINNTXAQI-UHFFFAOYSA-N 1 2 501.612 4.418 50 0 KIAALO O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1CCC[NH+]1CCOCC1 ZINC000024334523 553790768 /nfs/dbraw/zinc/79/07/68/553790768.db2.gz JPIZFUWNHMJFBE-NRFANRHFSA-N 1 2 517.807 4.476 50 0 KIAALO O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1CCC[NH+]1CCOCC1 ZINC000024334529 553790776 /nfs/dbraw/zinc/79/07/76/553790776.db2.gz JPIZFUWNHMJFBE-OAQYLSRUSA-N 1 2 517.807 4.476 50 0 KIAALO CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000024334535 553790844 /nfs/dbraw/zinc/79/08/44/553790844.db2.gz BLUOYAQXMLMVJL-DEOSSOPVSA-N 1 2 512.990 4.121 50 0 KIAALO CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000024334540 553790785 /nfs/dbraw/zinc/79/07/85/553790785.db2.gz BLUOYAQXMLMVJL-XMMPIXPASA-N 1 2 512.990 4.121 50 0 KIAALO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2nccc(-c3ccc(-n4cc[nH+]c4)cc3)n2)CC1 ZINC000025154282 553797977 /nfs/dbraw/zinc/79/79/77/553797977.db2.gz QLSYEWFILNRTFC-UHFFFAOYSA-N 1 2 515.426 4.147 50 0 KIAALO O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(c2nccc(-c3ccc(-n4cc[nH+]c4)cc3)n2)CC1 ZINC000025154435 553797988 /nfs/dbraw/zinc/79/79/88/553797988.db2.gz SDJGAVAMNLDHTE-UHFFFAOYSA-N 1 2 515.426 4.147 50 0 KIAALO Cc1c(C)c(C)c(S(=O)(=O)N2CCN(c3nccc(-c4ccc(-n5cc[nH+]c5)cc4)n3)CC2)c(C)c1C ZINC000025158035 553800398 /nfs/dbraw/zinc/80/03/98/553800398.db2.gz QMSGWBMORMVQQR-UHFFFAOYSA-N 1 2 516.671 4.382 50 0 KIAALO COc1ccc(C(NCCc2c[nH+]c[nH]2)=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000025180524 553805058 /nfs/dbraw/zinc/80/50/58/553805058.db2.gz IBDWJBNIMNZBFZ-UHFFFAOYSA-N 1 2 507.550 4.162 50 0 KIAALO COc1ccc(C(NCCc2c[nH]c[nH+]2)=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000025180524 553805057 /nfs/dbraw/zinc/80/50/57/553805057.db2.gz IBDWJBNIMNZBFZ-UHFFFAOYSA-N 1 2 507.550 4.162 50 0 KIAALO O=C(CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025286654 553806452 /nfs/dbraw/zinc/80/64/52/553806452.db2.gz HQDQYWVLQVRSIA-SANMLTNESA-N 1 2 527.650 4.216 50 0 KIAALO O=C(CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025286660 553806360 /nfs/dbraw/zinc/80/63/60/553806360.db2.gz HQDQYWVLQVRSIA-AREMUKBSSA-N 1 2 527.650 4.216 50 0 KIAALO COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000025337916 553806710 /nfs/dbraw/zinc/80/67/10/553806710.db2.gz NYTBTAIJHMISPM-FMIVXFBMSA-N 1 2 519.667 4.300 50 0 KIAALO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c1C ZINC000025461037 553809239 /nfs/dbraw/zinc/80/92/39/553809239.db2.gz GVWKUJSTXKPDMT-IBGZPJMESA-N 1 2 521.001 4.030 50 0 KIAALO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c1C ZINC000025461044 553809217 /nfs/dbraw/zinc/80/92/17/553809217.db2.gz GVWKUJSTXKPDMT-LJQANCHMSA-N 1 2 521.001 4.030 50 0 KIAALO C[C@@H](OC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc(Cl)cc1 ZINC000025499733 553809430 /nfs/dbraw/zinc/80/94/30/553809430.db2.gz SFSPVCIILWOYTH-BEFAXECRSA-N 1 2 507.867 4.092 50 0 KIAALO C[C@H](OC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc(Cl)cc1 ZINC000025499738 553809434 /nfs/dbraw/zinc/80/94/34/553809434.db2.gz SFSPVCIILWOYTH-KXBFYZLASA-N 1 2 507.867 4.092 50 0 KIAALO C[C@@H](OC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc(Cl)cc1 ZINC000025499743 553809506 /nfs/dbraw/zinc/80/95/06/553809506.db2.gz SFSPVCIILWOYTH-DNVCBOLYSA-N 1 2 507.867 4.092 50 0 KIAALO C[C@H](OC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc(Cl)cc1 ZINC000025499748 553809496 /nfs/dbraw/zinc/80/94/96/553809496.db2.gz SFSPVCIILWOYTH-HNAYVOBHSA-N 1 2 507.867 4.092 50 0 KIAALO C[C@@H](Sc1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000025702484 553813035 /nfs/dbraw/zinc/81/30/35/553813035.db2.gz GOCCXWORDMEKLF-QGZVFWFLSA-N 1 2 520.577 4.257 50 0 KIAALO C[C@H](Sc1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000025702488 553813013 /nfs/dbraw/zinc/81/30/13/553813013.db2.gz GOCCXWORDMEKLF-KRWDZBQOSA-N 1 2 520.577 4.257 50 0 KIAALO O=C(OCC[NH+]1CCOCC1)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 ZINC000025703018 553812977 /nfs/dbraw/zinc/81/29/77/553812977.db2.gz BCSLMHUJFAFCKM-UHFFFAOYSA-N 1 2 515.031 4.225 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 ZINC000026688585 553820644 /nfs/dbraw/zinc/82/06/44/553820644.db2.gz WFNIIIHIOJOLDE-LHLOQNFPSA-N 1 2 506.002 4.352 50 0 KIAALO CCN(CC)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2CCC[NH+]2CCOCC2)cc1 ZINC000027019337 553823789 /nfs/dbraw/zinc/82/37/89/553823789.db2.gz DVZFJNBLKGZUMV-RQZHXJHFSA-N 1 2 514.717 4.202 50 0 KIAALO O=S(=O)(c1ccc(-c2cs/c(=N\c3ccccc3)n2CCC[NH+]2CCOCC2)cc1)N1CCCCC1 ZINC000027020121 553823761 /nfs/dbraw/zinc/82/37/61/553823761.db2.gz GOQWDMCRPMFJGI-DQSJHHFOSA-N 1 2 526.728 4.346 50 0 KIAALO COc1ccc(C(=O)c2c(C)n(CC[NH+]3CCOCC3)c3cc(I)ccc32)cc1 ZINC000028332661 553841927 /nfs/dbraw/zinc/84/19/27/553841927.db2.gz JHOTYHDSLIUKCJ-UHFFFAOYSA-N 1 2 504.368 4.126 50 0 in-vivo KIAALO O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(c43)C2=O)n1-c1ccccc1)NCCCn1cc[nH+]c1 ZINC000029747464 553847618 /nfs/dbraw/zinc/84/76/18/553847618.db2.gz ARZKLFNIVSNSFZ-UHFFFAOYSA-N 1 2 579.686 4.144 50 0 KIAALO O=C([C@@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029747968 553849161 /nfs/dbraw/zinc/84/91/61/553849161.db2.gz KYLPZCPVDXYCCX-LXFBAYGMSA-N 1 2 580.110 4.211 50 0 KIAALO O=C([C@@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029747970 553849076 /nfs/dbraw/zinc/84/90/76/553849076.db2.gz KYLPZCPVDXYCCX-QDPGVEIFSA-N 1 2 580.110 4.211 50 0 KIAALO O=C([C@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029747973 553849152 /nfs/dbraw/zinc/84/91/52/553849152.db2.gz KYLPZCPVDXYCCX-FIPFOOKPSA-N 1 2 580.110 4.211 50 0 KIAALO O=C([C@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029747975 553849224 /nfs/dbraw/zinc/84/92/24/553849224.db2.gz KYLPZCPVDXYCCX-NEKDWFFYSA-N 1 2 580.110 4.211 50 0 KIAALO O=S(=O)(c1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000029748720 553849764 /nfs/dbraw/zinc/84/97/64/553849764.db2.gz KMWCGQOWRXLYAI-UHFFFAOYSA-N 1 2 535.131 4.448 50 0 KIAALO O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749033 553850679 /nfs/dbraw/zinc/85/06/79/553850679.db2.gz LJIXPQKGHMIVBA-MHZLTWQESA-N 1 2 539.101 4.070 50 0 KIAALO O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749039 553850692 /nfs/dbraw/zinc/85/06/92/553850692.db2.gz LJIXPQKGHMIVBA-HHHXNRCGSA-N 1 2 539.101 4.070 50 0 KIAALO COc1cc2nc(SCc3cc(=O)n4ccccc4n3)n3nc(CCn4c(C)[nH+]c5ccccc54)nc3c2cc1OC ZINC000029749144 553851068 /nfs/dbraw/zinc/85/10/68/553851068.db2.gz XHZZVYBYMPGWBX-UHFFFAOYSA-N 1 2 578.658 4.496 50 0 KIAALO CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749348 553851811 /nfs/dbraw/zinc/85/18/11/553851811.db2.gz VEGSHSOCKKQRTF-NAKRPHOHSA-N 1 2 629.204 4.119 50 0 KIAALO CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749352 553851879 /nfs/dbraw/zinc/85/18/79/553851879.db2.gz VEGSHSOCKKQRTF-LSYYVWMOSA-N 1 2 629.204 4.119 50 0 KIAALO CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749356 553851849 /nfs/dbraw/zinc/85/18/49/553851849.db2.gz VEGSHSOCKKQRTF-LEAFIULHSA-N 1 2 629.204 4.119 50 0 KIAALO CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749359 553851836 /nfs/dbraw/zinc/85/18/36/553851836.db2.gz VEGSHSOCKKQRTF-LBNVMWSVSA-N 1 2 629.204 4.119 50 0 KIAALO Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CC[NH+]([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)C3)ccc21 ZINC000029749361 553851914 /nfs/dbraw/zinc/85/19/14/553851914.db2.gz WCYPBDBGENCHJG-GIGWZHCTSA-N 1 2 609.148 4.119 50 0 KIAALO Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CC[NH+]([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)C3)ccc21 ZINC000029749363 553851925 /nfs/dbraw/zinc/85/19/25/553851925.db2.gz WCYPBDBGENCHJG-OUTSHDOLSA-N 1 2 609.148 4.119 50 0 KIAALO COc1ccc(C[NH+]2CCN(c3nc4ccc(C(=O)c5ccccc5)cc4n4c(C)nnc34)CC2)c(OC)c1OC ZINC000029749984 553853226 /nfs/dbraw/zinc/85/32/26/553853226.db2.gz JLAFVVGFYGPJTO-UHFFFAOYSA-N 1 2 552.635 4.165 50 0 KIAALO CCOc1ccc(-n2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000029752545 553853832 /nfs/dbraw/zinc/85/38/32/553853832.db2.gz MCAUWMNSLGOVQK-UHFFFAOYSA-N 1 2 571.630 4.093 50 0 KIAALO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCC[NH+]3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752596 553854024 /nfs/dbraw/zinc/85/40/24/553854024.db2.gz SNVWDHAQLHBAKK-AJQTZOPKSA-N 1 2 586.708 4.398 50 0 KIAALO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCC[NH+]3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752598 553853955 /nfs/dbraw/zinc/85/39/55/553853955.db2.gz SNVWDHAQLHBAKK-ACHIHNKUSA-N 1 2 586.708 4.398 50 0 KIAALO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCC[NH+]3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752600 553853951 /nfs/dbraw/zinc/85/39/51/553853951.db2.gz SNVWDHAQLHBAKK-ROJLCIKYSA-N 1 2 586.708 4.398 50 0 KIAALO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCC[NH+]3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752602 553854012 /nfs/dbraw/zinc/85/40/12/553854012.db2.gz SNVWDHAQLHBAKK-ZWXJPIIXSA-N 1 2 586.708 4.398 50 0 KIAALO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752689 553854420 /nfs/dbraw/zinc/85/44/20/553854420.db2.gz KMQJEGUJKCVTAT-AJQTZOPKSA-N 1 2 583.685 4.394 50 0 KIAALO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752690 553854352 /nfs/dbraw/zinc/85/43/52/553854352.db2.gz KMQJEGUJKCVTAT-ACHIHNKUSA-N 1 2 583.685 4.394 50 0 KIAALO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752692 553854387 /nfs/dbraw/zinc/85/43/87/553854387.db2.gz KMQJEGUJKCVTAT-ROJLCIKYSA-N 1 2 583.685 4.394 50 0 KIAALO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752694 553854317 /nfs/dbraw/zinc/85/43/17/553854317.db2.gz KMQJEGUJKCVTAT-ZWXJPIIXSA-N 1 2 583.685 4.394 50 0 KIAALO Cn1c(NNc2nc(Nc3cccc([N+](=O)[O-])c3)nc(Nc3cccc([N+](=O)[O-])c3)[nH+]2)nc(-c2ccccc2)c(C#N)c1=O ZINC000030072416 553855110 /nfs/dbraw/zinc/85/51/10/553855110.db2.gz DEHMPNNFCXWKMY-UHFFFAOYSA-N 1 2 592.536 4.247 50 0 KIAALO CCN(CC)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccc(C)cc3)n2CC[NH+]2CCOCC2)cc1 ZINC000032624431 553870223 /nfs/dbraw/zinc/87/02/23/553870223.db2.gz KATAUTVYOPGXDP-RQZHXJHFSA-N 1 2 514.717 4.120 50 0 KIAALO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000032962462 553882421 /nfs/dbraw/zinc/88/24/21/553882421.db2.gz FKPGEZAUXYSCTR-BWAMLYQTSA-N 1 2 516.505 4.158 50 0 KIAALO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000032962464 553882506 /nfs/dbraw/zinc/88/25/06/553882506.db2.gz FKPGEZAUXYSCTR-KXOMFBTKSA-N 1 2 516.505 4.158 50 0 KIAALO CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000032964212 553882439 /nfs/dbraw/zinc/88/24/39/553882439.db2.gz YOUXXVMNMVLXAB-UHFFFAOYSA-N 1 2 516.038 4.258 50 0 KIAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000032967324 553882731 /nfs/dbraw/zinc/88/27/31/553882731.db2.gz UQBUWINAUHZQDX-UHFFFAOYSA-N 1 2 504.867 4.245 50 0 KIAALO COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)[NH+]2CCCC2)cc1 ZINC000033023404 553888660 /nfs/dbraw/zinc/88/86/60/553888660.db2.gz MXPJTJIGUBGZGG-RUZDIDTESA-N 1 2 509.628 4.072 50 0 KIAALO COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)[NH+]2CCCC2)cc1 ZINC000033023407 553888931 /nfs/dbraw/zinc/88/89/31/553888931.db2.gz MXPJTJIGUBGZGG-VWLOTQADSA-N 1 2 509.628 4.072 50 0 KIAALO COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)[NH+]2CCCCC2)cc1 ZINC000033025982 553890468 /nfs/dbraw/zinc/89/04/68/553890468.db2.gz WDMADLMRCHXLMB-AREMUKBSSA-N 1 2 523.655 4.462 50 0 KIAALO COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)[NH+]2CCCCC2)cc1 ZINC000033025985 553890392 /nfs/dbraw/zinc/89/03/92/553890392.db2.gz WDMADLMRCHXLMB-SANMLTNESA-N 1 2 523.655 4.462 50 0 KIAALO CC(C)(CNC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1)[NH+]1CCOCC1 ZINC000033026746 553890582 /nfs/dbraw/zinc/89/05/82/553890582.db2.gz DZYHMDNQEPQUTR-UHFFFAOYSA-N 1 2 519.973 4.000 50 0 KIAALO COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000033028216 553891375 /nfs/dbraw/zinc/89/13/75/553891375.db2.gz ORERRSCWWPJMEW-XMMPIXPASA-N 1 2 509.628 4.072 50 0 KIAALO COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000033028217 553891268 /nfs/dbraw/zinc/89/12/68/553891268.db2.gz ORERRSCWWPJMEW-DEOSSOPVSA-N 1 2 509.628 4.072 50 0 KIAALO CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c2)cc1 ZINC000033028298 553891322 /nfs/dbraw/zinc/89/13/22/553891322.db2.gz PDMCEANFOLKQBG-JXMROGBWSA-N 1 2 505.640 4.357 50 0 KIAALO COCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033069007 553905819 /nfs/dbraw/zinc/90/58/19/553905819.db2.gz SVVXCMOCBMWIAU-UHFFFAOYSA-N 1 2 513.591 4.237 50 0 KIAALO COCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033069007 553905816 /nfs/dbraw/zinc/90/58/16/553905816.db2.gz SVVXCMOCBMWIAU-UHFFFAOYSA-N 1 2 513.591 4.237 50 0 KIAALO Fc1ccc(-c2nnc(NCC[NH+]3CCOCC3)o2)c(Nc2ccc(I)cc2F)c1F ZINC000033246138 553911703 /nfs/dbraw/zinc/91/17/03/553911703.db2.gz LZZYEMSEMRUPIM-UHFFFAOYSA-N 1 2 545.303 4.246 50 0 in-vitro KIAALO O=C(NCC[NH+]1CCOCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000033252314 553913804 /nfs/dbraw/zinc/91/38/04/553913804.db2.gz ZODGXDZCMDKWBV-UHFFFAOYSA-N 1 2 522.074 4.487 50 0 KIAALO O=C(CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(F)cc1)CC2)Nc1ccc(Br)cc1 ZINC000033331767 553921290 /nfs/dbraw/zinc/92/12/90/553921290.db2.gz LOBJALHRNPYPAX-UHFFFAOYSA-N 1 2 503.397 4.373 50 0 KIAALO O=C(CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(F)cc1)CC2)Nc1ccc(Br)cc1 ZINC000033331767 553921288 /nfs/dbraw/zinc/92/12/88/553921288.db2.gz LOBJALHRNPYPAX-UHFFFAOYSA-N 1 2 503.397 4.373 50 0 KIAALO COc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2OC)CC3)cc1Cl ZINC000033331780 553921042 /nfs/dbraw/zinc/92/10/42/553921042.db2.gz MVNFNZUSVAQSSJ-UHFFFAOYSA-N 1 2 501.008 4.142 50 0 KIAALO COc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2OC)CC3)cc1Cl ZINC000033331780 553921038 /nfs/dbraw/zinc/92/10/38/553921038.db2.gz MVNFNZUSVAQSSJ-UHFFFAOYSA-N 1 2 501.008 4.142 50 0 KIAALO Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2nc(C)nc(N3CCN(c4cccc[nH+]4)CC3)c12 ZINC000033354352 553929543 /nfs/dbraw/zinc/92/95/43/553929543.db2.gz NDNNGUAGYSRLGM-UHFFFAOYSA-N 1 2 531.661 4.131 50 0 KIAALO CCOC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccc(OC)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000033354854 553931846 /nfs/dbraw/zinc/93/18/46/553931846.db2.gz OFAKWTNNDBRSJX-UHFFFAOYSA-N 1 2 564.693 4.198 50 0 KIAALO CCOC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccc(OC)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000033354854 553931844 /nfs/dbraw/zinc/93/18/44/553931844.db2.gz OFAKWTNNDBRSJX-UHFFFAOYSA-N 1 2 564.693 4.198 50 0 KIAALO O=C(c1ccc2c(c1)NC(=O)[C@H](CSCc1ccc(F)cc1)N2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000033356250 553939867 /nfs/dbraw/zinc/93/98/67/553939867.db2.gz HEOWUYQASOQLMH-VWLOTQADSA-N 1 2 548.640 4.178 50 0 KIAALO O=C(c1ccc2c(c1)NC(=O)[C@@H](CSCc1ccc(F)cc1)N2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000033356252 553939754 /nfs/dbraw/zinc/93/97/54/553939754.db2.gz HEOWUYQASOQLMH-RUZDIDTESA-N 1 2 548.640 4.178 50 0 KIAALO Cn1c2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000033356351 553940987 /nfs/dbraw/zinc/94/09/87/553940987.db2.gz DJQGPFLGSLCNIS-UHFFFAOYSA-N 1 2 558.480 4.447 50 0 KIAALO C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000033356475 553941717 /nfs/dbraw/zinc/94/17/17/553941717.db2.gz SPJTXQLADGIDHF-NFQMXDRXSA-N 1 2 533.673 4.095 50 0 KIAALO C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000033356476 553941669 /nfs/dbraw/zinc/94/16/69/553941669.db2.gz SPJTXQLADGIDHF-CCLHPLFOSA-N 1 2 533.673 4.095 50 0 KIAALO C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000033356477 553941689 /nfs/dbraw/zinc/94/16/89/553941689.db2.gz SPJTXQLADGIDHF-HRFSGMKKSA-N 1 2 533.673 4.095 50 0 KIAALO C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000033356478 553941697 /nfs/dbraw/zinc/94/16/97/553941697.db2.gz SPJTXQLADGIDHF-DCFHFQCYSA-N 1 2 533.673 4.095 50 0 KIAALO O=C(CSc1ncccc1C(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc(Br)cc1F ZINC000033356910 553945542 /nfs/dbraw/zinc/94/55/42/553945542.db2.gz RXPHTDCUCJHLON-UHFFFAOYSA-N 1 2 530.423 4.071 50 0 KIAALO COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3cccc[nH+]3)CC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000033357447 553948285 /nfs/dbraw/zinc/94/82/85/553948285.db2.gz NWLMTZABAUIHBU-KAYWLYCHSA-N 1 2 532.666 4.080 50 0 KIAALO COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cccc[nH+]3)CC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000033357448 553948266 /nfs/dbraw/zinc/94/82/66/553948266.db2.gz NWLMTZABAUIHBU-RRPNLBNLSA-N 1 2 532.666 4.080 50 0 KIAALO COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3cccc[nH+]3)CC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000033357450 553948299 /nfs/dbraw/zinc/94/82/99/553948299.db2.gz NWLMTZABAUIHBU-SXOMAYOGSA-N 1 2 532.666 4.080 50 0 KIAALO COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cccc[nH+]3)CC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000033357451 553948309 /nfs/dbraw/zinc/94/83/09/553948309.db2.gz NWLMTZABAUIHBU-SVBPBHIXSA-N 1 2 532.666 4.080 50 0 KIAALO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000033357458 553948336 /nfs/dbraw/zinc/94/83/36/553948336.db2.gz UNFXZYSBFXWENQ-LOYHVIPDSA-N 1 2 589.714 4.409 50 0 KIAALO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000033357459 553948303 /nfs/dbraw/zinc/94/83/03/553948303.db2.gz UNFXZYSBFXWENQ-XZWHSSHBSA-N 1 2 589.714 4.409 50 0 KIAALO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000033357460 553948287 /nfs/dbraw/zinc/94/82/87/553948287.db2.gz UNFXZYSBFXWENQ-IHLOFXLRSA-N 1 2 589.714 4.409 50 0 KIAALO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000033357462 553948294 /nfs/dbraw/zinc/94/82/94/553948294.db2.gz UNFXZYSBFXWENQ-KYJUHHDHSA-N 1 2 589.714 4.409 50 0 KIAALO Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2)C(=O)N1 ZINC000033357580 553949218 /nfs/dbraw/zinc/94/92/18/553949218.db2.gz ATCUJSPGAZACRV-OOWIMERYSA-N 1 2 540.620 4.451 50 0 KIAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc1)c2=O ZINC000033357825 553951063 /nfs/dbraw/zinc/95/10/63/553951063.db2.gz KCBVSXAKISUUSA-UHFFFAOYSA-N 1 2 606.148 4.116 50 0 KIAALO CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000033357964 553952431 /nfs/dbraw/zinc/95/24/31/553952431.db2.gz IJLGFPXBAOPIQK-UHFFFAOYSA-N 1 2 536.013 4.307 50 0 KIAALO C[NH+]1CCN(C(=O)c2nn3c(c2Br)N[C@H](c2ccc(Br)cc2)C[C@@H]3C(F)(F)F)CC1 ZINC000033358589 553956857 /nfs/dbraw/zinc/95/68/57/553956857.db2.gz JWCUGVUKTVWLRU-UONOGXRCSA-N 1 2 551.205 4.456 50 0 KIAALO C[NH+]1CCN(C(=O)c2nn3c(c2Br)N[C@H](c2ccc(Br)cc2)C[C@H]3C(F)(F)F)CC1 ZINC000033358590 553956751 /nfs/dbraw/zinc/95/67/51/553956751.db2.gz JWCUGVUKTVWLRU-KBPBESRZSA-N 1 2 551.205 4.456 50 0 KIAALO C[NH+]1CCN(C(=O)c2nn3c(c2Br)N[C@@H](c2ccc(Br)cc2)C[C@@H]3C(F)(F)F)CC1 ZINC000033358591 553956828 /nfs/dbraw/zinc/95/68/28/553956828.db2.gz JWCUGVUKTVWLRU-ZIAGYGMSSA-N 1 2 551.205 4.456 50 0 KIAALO C[NH+]1CCN(C(=O)c2nn3c(c2Br)N[C@@H](c2ccc(Br)cc2)C[C@H]3C(F)(F)F)CC1 ZINC000033358592 553956821 /nfs/dbraw/zinc/95/68/21/553956821.db2.gz JWCUGVUKTVWLRU-KGLIPLIRSA-N 1 2 551.205 4.456 50 0 KIAALO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCOCC2)C(=O)Cc2ccccc2)s1 ZINC000033367280 553957577 /nfs/dbraw/zinc/95/75/77/553957577.db2.gz HFAZBHQJYVGDHU-UHFFFAOYSA-N 1 2 523.674 4.128 50 0 KIAALO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000033578970 553963193 /nfs/dbraw/zinc/96/31/93/553963193.db2.gz MKXVOSKEHPGTTQ-UHFFFAOYSA-N 1 2 501.450 4.302 50 0 KIAALO COc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000033704326 553969238 /nfs/dbraw/zinc/96/92/38/553969238.db2.gz QMYBHARLIPGGPV-UHFFFAOYSA-N 1 2 502.640 4.357 50 0 KIAALO O=C(/C=C/c1ccccc1)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000034675457 553982946 /nfs/dbraw/zinc/98/29/46/553982946.db2.gz UETYGIICNBLEBY-SDNWHVSQSA-N 1 2 501.602 4.063 50 0 KIAALO O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(Cl)cc2)cc1)NCC[NH+]1CCOCC1 ZINC000034675458 553983009 /nfs/dbraw/zinc/98/30/09/553983009.db2.gz YCWABSJNVJKIDT-UHFFFAOYSA-N 1 2 510.009 4.317 50 0 KIAALO CCN(C)c1nc(N2CCN(c3ccc(C)cc3)CC2)[nH+]c2c1CN(C(=O)OCc1ccccc1)CC2 ZINC000034676600 553982909 /nfs/dbraw/zinc/98/29/09/553982909.db2.gz NHCALTKCBVTVJQ-UHFFFAOYSA-N 1 2 500.647 4.263 50 0 KIAALO CN(C)c1nc(N2CCN(c3ccccc3)CC2)[nH+]c2c1CN(C(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000034676754 553983055 /nfs/dbraw/zinc/98/30/55/553983055.db2.gz WBVWFFXXPJSTJE-UHFFFAOYSA-N 1 2 510.564 4.087 50 0 KIAALO CC(C)N(C)c1nc(N2CCN(c3ccccc3)CC2)[nH+]c2c1CN(C(=O)c1ccc(F)cc1F)CC2 ZINC000034676768 553982997 /nfs/dbraw/zinc/98/29/97/553982997.db2.gz QQCDQYQVHXMDSW-UHFFFAOYSA-N 1 2 506.601 4.125 50 0 KIAALO CCN(C)c1nc(N2CCN(c3ccccc3)CC2)[nH+]c2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000034676772 553982985 /nfs/dbraw/zinc/98/29/85/553982985.db2.gz SEDJOZXZNVTWIP-UHFFFAOYSA-N 1 2 524.591 4.477 50 0 KIAALO CCN(C)c1nc(N2CCN(c3ccccc3)CC2)[nH+]c2c1CN(C(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000034676779 553983294 /nfs/dbraw/zinc/98/32/94/553983294.db2.gz UOOVGNVPHBPXGF-UHFFFAOYSA-N 1 2 524.591 4.477 50 0 KIAALO Cc1ccc(N2CCN(c3nc(N(C)C)c4c([nH+]3)CCN(C(=O)Nc3cccc(Cl)c3)C4)CC2)cc1 ZINC000034676809 553983373 /nfs/dbraw/zinc/98/33/73/553983373.db2.gz MZHGKYPNUMVPCT-UHFFFAOYSA-N 1 2 506.054 4.421 50 0 KIAALO CCOc1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)co3)CC2)cc1 ZINC000034678010 553983945 /nfs/dbraw/zinc/98/39/45/553983945.db2.gz LJPHGUGFHXZBDK-UHFFFAOYSA-N 1 2 502.537 4.340 50 0 KIAALO COc1ccc(C[NH+]2CCN(Cc3nc(C(=O)Nc4ccc(C)c(Cl)c4)co3)CC2)c(OC)c1OC ZINC000034678319 553984034 /nfs/dbraw/zinc/98/40/34/553984034.db2.gz JACFGBTWBSISCL-UHFFFAOYSA-N 1 2 515.010 4.232 50 0 KIAALO CN(C)c1nc(N2CCN(c3ccccc3F)CC2)[nH+]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000034678660 553983966 /nfs/dbraw/zinc/98/39/66/553983966.db2.gz QAJZWFXQZDNOQC-UHFFFAOYSA-N 1 2 510.017 4.252 50 0 KIAALO CN(C)c1nc(N2CCN(c3ccc(F)cc3)CC2)[nH+]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000034678662 553983977 /nfs/dbraw/zinc/98/39/77/553983977.db2.gz ZGIFDVDSVSKDRG-UHFFFAOYSA-N 1 2 510.017 4.252 50 0 KIAALO COc1ccc(C[NH+]2CCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)c(OC)c1OC ZINC000034681525 553985106 /nfs/dbraw/zinc/98/51/06/553985106.db2.gz VLXZOZSJINVIRU-UHFFFAOYSA-N 1 2 527.021 4.101 50 0 KIAALO COc1ccccc1CCNC(=O)c1cccc(C[N@@H+](CCN2CCOCC2)Cc2ccc(F)cc2F)c1 ZINC000034682440 553985689 /nfs/dbraw/zinc/98/56/89/553985689.db2.gz LOWJFMGCCKVGNV-UHFFFAOYSA-N 1 2 523.624 4.280 50 0 KIAALO COc1ccccc1CCNC(=O)c1cccc(C[N@H+](CCN2CCOCC2)Cc2ccc(F)cc2F)c1 ZINC000034682440 553985686 /nfs/dbraw/zinc/98/56/86/553985686.db2.gz LOWJFMGCCKVGNV-UHFFFAOYSA-N 1 2 523.624 4.280 50 0 KIAALO COc1ccccc1CCNC(=O)c1cccc(CN(CC[NH+]2CCOCC2)Cc2ccc(F)cc2F)c1 ZINC000034682440 553985683 /nfs/dbraw/zinc/98/56/83/553985683.db2.gz LOWJFMGCCKVGNV-UHFFFAOYSA-N 1 2 523.624 4.280 50 0 KIAALO O=C(NCc1cccc(C(F)(F)F)c1)c1csc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000034685273 553986684 /nfs/dbraw/zinc/98/66/84/553986684.db2.gz LEUJVDZLPLSWBN-UHFFFAOYSA-N 1 2 518.561 4.138 50 0 KIAALO Cc1ccc([C@@H]2c3cc(OCc4nc(C(=O)N5CC[NH+](C)CC5)cs4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000034685607 553986974 /nfs/dbraw/zinc/98/69/74/553986974.db2.gz ASVKPELUWNCKEO-MUUNZHRXSA-N 1 2 530.694 4.302 50 0 KIAALO Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)N5CC[NH+](C)CC5)cs4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000034685608 553987012 /nfs/dbraw/zinc/98/70/12/553987012.db2.gz ASVKPELUWNCKEO-NDEPHWFRSA-N 1 2 530.694 4.302 50 0 KIAALO CC[C@H](Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)CC(C)C)CC2)C(=O)N1CC[NH+](CCOC)CC1 ZINC000034685621 553987051 /nfs/dbraw/zinc/98/70/51/553987051.db2.gz ADHNWYOYHBWHBY-JDXGNMNLSA-N 1 2 539.692 4.294 50 0 KIAALO CC[C@@H](Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)CC(C)C)CC2)C(=O)N1CC[NH+](CCOC)CC1 ZINC000034685622 553987083 /nfs/dbraw/zinc/98/70/83/553987083.db2.gz ADHNWYOYHBWHBY-DGPALRBDSA-N 1 2 539.692 4.294 50 0 KIAALO CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)CC(C)C)CC2)C(=O)N1CC[NH+](CCOC)CC1 ZINC000034685623 553987036 /nfs/dbraw/zinc/98/70/36/553987036.db2.gz ADHNWYOYHBWHBY-MFMCTBQISA-N 1 2 539.692 4.294 50 0 KIAALO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)CC(C)C)CC2)C(=O)N1CC[NH+](CCOC)CC1 ZINC000034685624 553987088 /nfs/dbraw/zinc/98/70/88/553987088.db2.gz ADHNWYOYHBWHBY-PQHLKRTFSA-N 1 2 539.692 4.294 50 0 KIAALO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)N1CC[NH+](C)CC1 ZINC000034685659 553987355 /nfs/dbraw/zinc/98/73/55/553987355.db2.gz SXDARBSAQVBDKZ-NSOVKSMOSA-N 1 2 507.650 4.421 50 0 KIAALO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)N1CC[NH+](C)CC1 ZINC000034685660 553987267 /nfs/dbraw/zinc/98/72/67/553987267.db2.gz SXDARBSAQVBDKZ-IZLXSDGUSA-N 1 2 507.650 4.421 50 0 KIAALO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)N1CC[NH+](C)CC1 ZINC000034685661 553987275 /nfs/dbraw/zinc/98/72/75/553987275.db2.gz SXDARBSAQVBDKZ-WUFINQPMSA-N 1 2 507.650 4.421 50 0 KIAALO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)N1CC[NH+](C)CC1 ZINC000034685662 553987289 /nfs/dbraw/zinc/98/72/89/553987289.db2.gz SXDARBSAQVBDKZ-VSGBNLITSA-N 1 2 507.650 4.421 50 0 KIAALO CC(C)CC(=O)N1CCc2ccc(OCc3nc(C(=O)N4CC[NH+](C)CC4)co3)cc2[C@@H]1c1ccccc1 ZINC000034685747 553987659 /nfs/dbraw/zinc/98/76/59/553987659.db2.gz KOZUQKKLSWSIQD-LJAQVGFWSA-N 1 2 516.642 4.161 50 0 KIAALO CC(C)CC(=O)N1CCc2ccc(OCc3nc(C(=O)N4CC[NH+](C)CC4)co3)cc2[C@H]1c1ccccc1 ZINC000034685748 553987746 /nfs/dbraw/zinc/98/77/46/553987746.db2.gz KOZUQKKLSWSIQD-GDLZYMKVSA-N 1 2 516.642 4.161 50 0 KIAALO CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CC[NH+](C)CC4)o3)cc2[C@@H]1c1ccc(C)cc1 ZINC000034685755 553987717 /nfs/dbraw/zinc/98/77/17/553987717.db2.gz YEEYXHNLRCGOJF-LJAQVGFWSA-N 1 2 501.627 4.439 50 0 KIAALO CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CC[NH+](C)CC4)o3)cc2[C@H]1c1ccc(C)cc1 ZINC000034685756 553987699 /nfs/dbraw/zinc/98/76/99/553987699.db2.gz YEEYXHNLRCGOJF-GDLZYMKVSA-N 1 2 501.627 4.439 50 0 KIAALO Cc1ccc([C@@H]2c3cc(OCc4ccc(C(=O)N5CC[NH+](C)CC5)o4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000034685761 553987754 /nfs/dbraw/zinc/98/77/54/553987754.db2.gz UIYWZLJZNNJXEK-GDLZYMKVSA-N 1 2 513.638 4.439 50 0 KIAALO Cc1ccc([C@H]2c3cc(OCc4ccc(C(=O)N5CC[NH+](C)CC5)o4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000034685762 553987695 /nfs/dbraw/zinc/98/76/95/553987695.db2.gz UIYWZLJZNNJXEK-LJAQVGFWSA-N 1 2 513.638 4.439 50 0 KIAALO COCC[NH+]1CCN(C(=O)c2csc(-c3ccc(OCc4ccc(F)c(F)c4)c(OC)c3)n2)CC1 ZINC000034717329 553995920 /nfs/dbraw/zinc/99/59/20/553995920.db2.gz BPKBUXMBXPTWCW-UHFFFAOYSA-N 1 2 503.571 4.080 50 0 KIAALO FC(F)(F)c1ccc(C[N@H+]2CCc3nc(N4CCc5ccccc5C4)nc(N4CCOCC4)c3C2)cc1 ZINC000034755429 553999109 /nfs/dbraw/zinc/99/91/09/553999109.db2.gz YLJODFSMEYCNTF-UHFFFAOYSA-N 1 2 509.576 4.453 50 0 KIAALO FC(F)(F)c1ccc(C[N@@H+]2CCc3nc(N4CCc5ccccc5C4)nc(N4CCOCC4)c3C2)cc1 ZINC000034755429 553999105 /nfs/dbraw/zinc/99/91/05/553999105.db2.gz YLJODFSMEYCNTF-UHFFFAOYSA-N 1 2 509.576 4.453 50 0 KIAALO O=C(Cc1ccc(F)cc1)N1CCc2[nH+]c(N3CCN(c4ccccc4)CC3)nc(N3CCCCC3)c2C1 ZINC000034756063 553999133 /nfs/dbraw/zinc/99/91/33/553999133.db2.gz LFUSXIIRDGGGJH-UHFFFAOYSA-N 1 2 514.649 4.060 50 0 KIAALO CC(C)N(C)c1nc(N2CCN(c3ccccc3)CC2)[nH+]c2c1CN(C(=O)c1c(F)cccc1F)CC2 ZINC000034756392 553999442 /nfs/dbraw/zinc/99/94/42/553999442.db2.gz MAACFIRPGVGQEK-UHFFFAOYSA-N 1 2 506.601 4.125 50 0 KIAALO CCN(C)c1nc(N2CCN(c3ccccc3F)CC2)[nH+]c2c1CN(C(=O)Nc1ccc(C)cc1)CC2 ZINC000034756632 553999508 /nfs/dbraw/zinc/99/95/08/553999508.db2.gz MZGRWGVYKLSTGY-UHFFFAOYSA-N 1 2 503.626 4.297 50 0 KIAALO CC1CCN(c2nc(N(C)Cc3ccccc3)[nH+]c3c2CN(S(=O)(=O)c2ccc(F)cc2)CC3)CC1 ZINC000034756681 553999516 /nfs/dbraw/zinc/99/95/16/553999516.db2.gz MRUFGZVOQUDUON-UHFFFAOYSA-N 1 2 509.651 4.235 50 0 KIAALO O=C(c1ccc(/C=C2\SC(=O)N(Cc3cccc(F)c3)C2=O)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000034761397 554001886 /nfs/dbraw/zinc/00/18/86/554001886.db2.gz OGBHVSIJQHMSKV-QJOMJCCJSA-N 1 2 502.571 4.420 50 0 KIAALO O=C(c1cccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000034761566 554001966 /nfs/dbraw/zinc/00/19/66/554001966.db2.gz VAHMLCMLBVLNGC-QJOMJCCJSA-N 1 2 502.571 4.420 50 0 KIAALO O=C(c1cccc(/C=C2\SC(=O)N(Cc3cccc(F)c3)C2=O)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000034761771 554002112 /nfs/dbraw/zinc/00/21/12/554002112.db2.gz ICNNZUZFRAEBIE-QJOMJCCJSA-N 1 2 502.571 4.420 50 0 KIAALO O=C(CCc1nnc(-c2ccc(OCc3ccccc3F)cc2)[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034762993 554002282 /nfs/dbraw/zinc/00/22/82/554002282.db2.gz FTRHAFWVCKXRSG-UHFFFAOYSA-N 1 2 527.600 4.239 50 0 KIAALO O=C(CCc1nnc(-c2ccc(OCc3cccc(F)c3)cc2)[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034763107 554002454 /nfs/dbraw/zinc/00/24/54/554002454.db2.gz BPJFZWXJYRQGAC-UHFFFAOYSA-N 1 2 527.600 4.239 50 0 KIAALO Nc1c(NC(=O)NCC[NH+]2CCOCC2)c(-c2ccc(Cl)cc2)nn1-c1ccc(C(F)(F)F)cc1 ZINC000034785689 554004112 /nfs/dbraw/zinc/00/41/12/554004112.db2.gz BQODIQHIRAXWJQ-UHFFFAOYSA-N 1 2 508.932 4.247 50 0 KIAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034787458 554004718 /nfs/dbraw/zinc/00/47/18/554004718.db2.gz YTDVTUJGHQRVNB-AREMUKBSSA-N 1 2 524.042 4.062 50 0 KIAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034787458 554004713 /nfs/dbraw/zinc/00/47/13/554004713.db2.gz YTDVTUJGHQRVNB-AREMUKBSSA-N 1 2 524.042 4.062 50 0 KIAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034787462 554004703 /nfs/dbraw/zinc/00/47/03/554004703.db2.gz YTDVTUJGHQRVNB-SANMLTNESA-N 1 2 524.042 4.062 50 0 KIAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034787462 554004699 /nfs/dbraw/zinc/00/46/99/554004699.db2.gz YTDVTUJGHQRVNB-SANMLTNESA-N 1 2 524.042 4.062 50 0 KIAALO O=C(COc1ccccc1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000034787573 554005014 /nfs/dbraw/zinc/00/50/14/554005014.db2.gz JEHMXZLIZUOKFU-NDEPHWFRSA-N 1 2 524.086 4.489 50 0 KIAALO O=C(COc1ccccc1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000034787573 554005010 /nfs/dbraw/zinc/00/50/10/554005010.db2.gz JEHMXZLIZUOKFU-NDEPHWFRSA-N 1 2 524.086 4.489 50 0 KIAALO O=C(COc1ccccc1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000034787578 554004845 /nfs/dbraw/zinc/00/48/45/554004845.db2.gz JEHMXZLIZUOKFU-MUUNZHRXSA-N 1 2 524.086 4.489 50 0 KIAALO O=C(COc1ccccc1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000034787578 554004841 /nfs/dbraw/zinc/00/48/41/554004841.db2.gz JEHMXZLIZUOKFU-MUUNZHRXSA-N 1 2 524.086 4.489 50 0 KIAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788439 554005778 /nfs/dbraw/zinc/00/57/78/554005778.db2.gz DALJTDYHJZCCME-VBOOUTDYSA-N 1 2 503.643 4.309 50 0 KIAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788439 554005775 /nfs/dbraw/zinc/00/57/75/554005775.db2.gz DALJTDYHJZCCME-VBOOUTDYSA-N 1 2 503.643 4.309 50 0 KIAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788444 554005926 /nfs/dbraw/zinc/00/59/26/554005926.db2.gz DALJTDYHJZCCME-OARDWFSCSA-N 1 2 503.643 4.309 50 0 KIAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788444 554005923 /nfs/dbraw/zinc/00/59/23/554005923.db2.gz DALJTDYHJZCCME-OARDWFSCSA-N 1 2 503.643 4.309 50 0 KIAALO COc1ccc(CC(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788627 554006200 /nfs/dbraw/zinc/00/62/00/554006200.db2.gz WJIXZFTUUVMGKC-LJAQVGFWSA-N 1 2 521.658 4.147 50 0 KIAALO COc1ccc(CC(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788627 554006196 /nfs/dbraw/zinc/00/61/96/554006196.db2.gz WJIXZFTUUVMGKC-LJAQVGFWSA-N 1 2 521.658 4.147 50 0 KIAALO COc1ccc(CC(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788630 554006309 /nfs/dbraw/zinc/00/63/09/554006309.db2.gz WJIXZFTUUVMGKC-GDLZYMKVSA-N 1 2 521.658 4.147 50 0 KIAALO COc1ccc(CC(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788630 554006307 /nfs/dbraw/zinc/00/63/07/554006307.db2.gz WJIXZFTUUVMGKC-GDLZYMKVSA-N 1 2 521.658 4.147 50 0 KIAALO O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034788690 554006257 /nfs/dbraw/zinc/00/62/57/554006257.db2.gz TZGXHCNKWQWFED-MUUNZHRXSA-N 1 2 509.622 4.277 50 0 KIAALO O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034788690 554006254 /nfs/dbraw/zinc/00/62/54/554006254.db2.gz TZGXHCNKWQWFED-MUUNZHRXSA-N 1 2 509.622 4.277 50 0 KIAALO O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034788694 554006137 /nfs/dbraw/zinc/00/61/37/554006137.db2.gz TZGXHCNKWQWFED-NDEPHWFRSA-N 1 2 509.622 4.277 50 0 KIAALO O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034788694 554006132 /nfs/dbraw/zinc/00/61/32/554006132.db2.gz TZGXHCNKWQWFED-NDEPHWFRSA-N 1 2 509.622 4.277 50 0 KIAALO COc1cccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034788705 554006384 /nfs/dbraw/zinc/00/63/84/554006384.db2.gz LOFWSLDUICHCDG-MHZLTWQESA-N 1 2 507.631 4.218 50 0 KIAALO COc1cccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034788705 554006382 /nfs/dbraw/zinc/00/63/82/554006382.db2.gz LOFWSLDUICHCDG-MHZLTWQESA-N 1 2 507.631 4.218 50 0 KIAALO COc1cccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034788709 554006435 /nfs/dbraw/zinc/00/64/35/554006435.db2.gz LOFWSLDUICHCDG-HHHXNRCGSA-N 1 2 507.631 4.218 50 0 KIAALO COc1cccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034788709 554006432 /nfs/dbraw/zinc/00/64/32/554006432.db2.gz LOFWSLDUICHCDG-HHHXNRCGSA-N 1 2 507.631 4.218 50 0 KIAALO COc1ccccc1C(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034788765 554006426 /nfs/dbraw/zinc/00/64/26/554006426.db2.gz HXDINKHPZWTRAB-MHZLTWQESA-N 1 2 507.631 4.218 50 0 KIAALO COc1ccccc1C(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034788765 554006423 /nfs/dbraw/zinc/00/64/23/554006423.db2.gz HXDINKHPZWTRAB-MHZLTWQESA-N 1 2 507.631 4.218 50 0 KIAALO COc1ccccc1C(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034788769 554006328 /nfs/dbraw/zinc/00/63/28/554006328.db2.gz HXDINKHPZWTRAB-HHHXNRCGSA-N 1 2 507.631 4.218 50 0 KIAALO COc1ccccc1C(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034788769 554006324 /nfs/dbraw/zinc/00/63/24/554006324.db2.gz HXDINKHPZWTRAB-HHHXNRCGSA-N 1 2 507.631 4.218 50 0 KIAALO Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CC[NH+](C)CC5)c4)cc3)sc2c1 ZINC000034802302 554009139 /nfs/dbraw/zinc/00/91/39/554009139.db2.gz IBMMGOXQKHUXBT-UHFFFAOYSA-N 1 2 506.653 4.460 50 0 KIAALO O=C(c1cc2n(n1)CCN(Cc1cccc(C(F)(F)F)c1)C2=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000034811233 554010537 /nfs/dbraw/zinc/01/05/37/554010537.db2.gz LSTQOHOJEFRBCC-WEVVVXLNSA-N 1 2 523.559 4.029 50 0 KIAALO O=C(c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000034811576 554010552 /nfs/dbraw/zinc/01/05/52/554010552.db2.gz GNRCNTPZGQSBJB-QPJJXVBHSA-N 1 2 524.452 4.317 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)cc1 ZINC000034829638 554012042 /nfs/dbraw/zinc/01/20/42/554012042.db2.gz UOQNAVWOSHNCMD-WINIVTDRSA-N 1 2 507.631 4.216 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)cc1 ZINC000034829638 554012037 /nfs/dbraw/zinc/01/20/37/554012037.db2.gz UOQNAVWOSHNCMD-WINIVTDRSA-N 1 2 507.631 4.216 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)cc1 ZINC000034829639 554012017 /nfs/dbraw/zinc/01/20/17/554012017.db2.gz UOQNAVWOSHNCMD-PPHZAIPVSA-N 1 2 507.631 4.216 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)cc1 ZINC000034829639 554012014 /nfs/dbraw/zinc/01/20/14/554012014.db2.gz UOQNAVWOSHNCMD-PPHZAIPVSA-N 1 2 507.631 4.216 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000034829646 554012241 /nfs/dbraw/zinc/01/22/41/554012241.db2.gz KOEJKGMMNPJCAY-KMRXNPHXSA-N 1 2 503.668 4.386 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000034829646 554012238 /nfs/dbraw/zinc/01/22/38/554012238.db2.gz KOEJKGMMNPJCAY-KMRXNPHXSA-N 1 2 503.668 4.386 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)cc1 ZINC000034829647 554012129 /nfs/dbraw/zinc/01/21/29/554012129.db2.gz KOEJKGMMNPJCAY-PIKZIKFNSA-N 1 2 503.668 4.386 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)cc1 ZINC000034829647 554012125 /nfs/dbraw/zinc/01/21/25/554012125.db2.gz KOEJKGMMNPJCAY-PIKZIKFNSA-N 1 2 503.668 4.386 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@@H](C)C2)cc1 ZINC000034829658 554011984 /nfs/dbraw/zinc/01/19/84/554011984.db2.gz LYMLPQXAGMRGBD-KMRXNPHXSA-N 1 2 503.668 4.386 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@@H](C)C2)cc1 ZINC000034829658 554011980 /nfs/dbraw/zinc/01/19/80/554011980.db2.gz LYMLPQXAGMRGBD-KMRXNPHXSA-N 1 2 503.668 4.386 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@H](C)C2)cc1 ZINC000034829659 554012169 /nfs/dbraw/zinc/01/21/69/554012169.db2.gz LYMLPQXAGMRGBD-PIKZIKFNSA-N 1 2 503.668 4.386 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@H](C)C2)cc1 ZINC000034829659 554012165 /nfs/dbraw/zinc/01/21/65/554012165.db2.gz LYMLPQXAGMRGBD-PIKZIKFNSA-N 1 2 503.668 4.386 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@H](C)C2)cc1 ZINC000034829660 554012192 /nfs/dbraw/zinc/01/21/92/554012192.db2.gz IXGPLWMSPXNWEI-WINIVTDRSA-N 1 2 509.697 4.068 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@H](C)C2)cc1 ZINC000034829660 554012189 /nfs/dbraw/zinc/01/21/89/554012189.db2.gz IXGPLWMSPXNWEI-WINIVTDRSA-N 1 2 509.697 4.068 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)cc1 ZINC000034829661 554012113 /nfs/dbraw/zinc/01/21/13/554012113.db2.gz IXGPLWMSPXNWEI-PPHZAIPVSA-N 1 2 509.697 4.068 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)cc1 ZINC000034829661 554012110 /nfs/dbraw/zinc/01/21/10/554012110.db2.gz IXGPLWMSPXNWEI-PPHZAIPVSA-N 1 2 509.697 4.068 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Cc3ccc(F)cc3)[C@H](C)C2)cc1 ZINC000034829678 554012542 /nfs/dbraw/zinc/01/25/42/554012542.db2.gz FTPWPQTUEAOMGR-OLILMLBXSA-N 1 2 521.658 4.145 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Cc3ccc(F)cc3)[C@H](C)C2)cc1 ZINC000034829678 554012539 /nfs/dbraw/zinc/01/25/39/554012539.db2.gz FTPWPQTUEAOMGR-OLILMLBXSA-N 1 2 521.658 4.145 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Cc3ccc(F)cc3)[C@@H](C)C2)cc1 ZINC000034829679 554012761 /nfs/dbraw/zinc/01/27/61/554012761.db2.gz FTPWPQTUEAOMGR-WRONEBCDSA-N 1 2 521.658 4.145 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Cc3ccc(F)cc3)[C@@H](C)C2)cc1 ZINC000034829679 554012758 /nfs/dbraw/zinc/01/27/58/554012758.db2.gz FTPWPQTUEAOMGR-WRONEBCDSA-N 1 2 521.658 4.145 50 0 KIAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034829918 554013464 /nfs/dbraw/zinc/01/34/64/554013464.db2.gz ZZSBMJCFTZETJB-GDJIYFAZSA-N 1 2 509.622 4.276 50 0 KIAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034829918 554013459 /nfs/dbraw/zinc/01/34/59/554013459.db2.gz ZZSBMJCFTZETJB-GDJIYFAZSA-N 1 2 509.622 4.276 50 0 KIAALO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034829919 554013407 /nfs/dbraw/zinc/01/34/07/554013407.db2.gz ZZSBMJCFTZETJB-VKGTZQKMSA-N 1 2 509.622 4.276 50 0 KIAALO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034829919 554013405 /nfs/dbraw/zinc/01/34/05/554013405.db2.gz ZZSBMJCFTZETJB-VKGTZQKMSA-N 1 2 509.622 4.276 50 0 KIAALO COc1cccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000034829920 554013704 /nfs/dbraw/zinc/01/37/04/554013704.db2.gz LOBKSTFUBICNMD-WINIVTDRSA-N 1 2 507.631 4.216 50 0 KIAALO COc1cccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000034829920 554013701 /nfs/dbraw/zinc/01/37/01/554013701.db2.gz LOBKSTFUBICNMD-WINIVTDRSA-N 1 2 507.631 4.216 50 0 KIAALO COc1cccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000034829921 554013726 /nfs/dbraw/zinc/01/37/26/554013726.db2.gz LOBKSTFUBICNMD-PPHZAIPVSA-N 1 2 507.631 4.216 50 0 KIAALO COc1cccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000034829921 554013724 /nfs/dbraw/zinc/01/37/24/554013724.db2.gz LOBKSTFUBICNMD-PPHZAIPVSA-N 1 2 507.631 4.216 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NC3CCCCC3)[C@H](C)C2)cc1 ZINC000034829942 554013749 /nfs/dbraw/zinc/01/37/49/554013749.db2.gz MJYBBTROLMSTGB-HRFSGMKKSA-N 1 2 510.704 4.279 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NC3CCCCC3)[C@H](C)C2)cc1 ZINC000034829942 554013746 /nfs/dbraw/zinc/01/37/46/554013746.db2.gz MJYBBTROLMSTGB-HRFSGMKKSA-N 1 2 510.704 4.279 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NC3CCCCC3)[C@@H](C)C2)cc1 ZINC000034829943 554013418 /nfs/dbraw/zinc/01/34/18/554013418.db2.gz MJYBBTROLMSTGB-DCFHFQCYSA-N 1 2 510.704 4.279 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NC3CCCCC3)[C@@H](C)C2)cc1 ZINC000034829943 554013412 /nfs/dbraw/zinc/01/34/12/554013412.db2.gz MJYBBTROLMSTGB-DCFHFQCYSA-N 1 2 510.704 4.279 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@H](C)C2)cc1 ZINC000034829948 554013741 /nfs/dbraw/zinc/01/37/41/554013741.db2.gz NMLWDZZVHKROTM-PIKZIKFNSA-N 1 2 518.683 4.147 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@H](C)C2)cc1 ZINC000034829948 554013739 /nfs/dbraw/zinc/01/37/39/554013739.db2.gz NMLWDZZVHKROTM-PIKZIKFNSA-N 1 2 518.683 4.147 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@@H](C)C2)cc1 ZINC000034829949 554013695 /nfs/dbraw/zinc/01/36/95/554013695.db2.gz NMLWDZZVHKROTM-KMRXNPHXSA-N 1 2 518.683 4.147 50 0 KIAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@@H](C)C2)cc1 ZINC000034829949 554013693 /nfs/dbraw/zinc/01/36/93/554013693.db2.gz NMLWDZZVHKROTM-KMRXNPHXSA-N 1 2 518.683 4.147 50 0 KIAALO COc1cccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nc3cc(C(C)(C)C)nn32)c1 ZINC000034832531 554017985 /nfs/dbraw/zinc/01/79/85/554017985.db2.gz VQHMECPVKGMSRG-UHFFFAOYSA-N 1 2 527.625 4.389 50 0 KIAALO COc1ccccc1-c1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2cc(C(C)(C)C)nn21 ZINC000034832598 554017995 /nfs/dbraw/zinc/01/79/95/554017995.db2.gz MUMFVVYOYUBTJS-UHFFFAOYSA-N 1 2 527.625 4.389 50 0 KIAALO COc1ccc(C(=O)[C@H]2[C@]3(C(=O)Nc4ccccc43)[C@@H]3CCC[N@H+]3[C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000035363850 554044710 /nfs/dbraw/zinc/04/47/10/554044710.db2.gz HUWYWGOVTDZYLP-JMBFNUQRSA-N 1 2 513.981 4.363 50 0 biogenic KIAALO COc1ccc(C(=O)[C@H]2[C@]3(C(=O)Nc4ccccc43)[C@@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000035363850 554044705 /nfs/dbraw/zinc/04/47/05/554044705.db2.gz HUWYWGOVTDZYLP-JMBFNUQRSA-N 1 2 513.981 4.363 50 0 biogenic KIAALO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000035419770 554049715 /nfs/dbraw/zinc/04/97/15/554049715.db2.gz ROVNYUMNEIOLGR-UHFFFAOYSA-N 1 2 505.402 4.421 50 0 KIAALO Cc1cccc(-c2nc3sc(N(C)CC(=O)N4CCN(c5cccc[nH+]5)CC4)nn3c2NC(C)(C)C)c1 ZINC000035481361 554056534 /nfs/dbraw/zinc/05/65/34/554056534.db2.gz AXXQSMHOJWLZRC-UHFFFAOYSA-N 1 2 518.691 4.157 50 0 KIAALO CCc1[nH+]c(C)nc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769503 554072489 /nfs/dbraw/zinc/07/24/89/554072489.db2.gz DFWYJMMFFJGDMC-UHFFFAOYSA-N 1 2 501.052 4.111 50 0 KIAALO CCc1[nH+]c(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1Cc1ccc(Cl)cc1 ZINC000035807179 554076006 /nfs/dbraw/zinc/07/60/06/554076006.db2.gz GHBXVSRODPOQJY-UHFFFAOYSA-N 1 2 528.078 4.061 50 0 KIAALO COc1cccc([C@H](CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c[nH+]c3c(C)cccn23)c1 ZINC000035819800 554078730 /nfs/dbraw/zinc/07/87/30/554078730.db2.gz XOVGAOWDHBDRIK-VWLOTQADSA-N 1 2 512.610 4.246 50 0 KIAALO COc1cccc([C@@H](CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c[nH+]c3c(C)cccn23)c1 ZINC000035819802 554078756 /nfs/dbraw/zinc/07/87/56/554078756.db2.gz XOVGAOWDHBDRIK-RUZDIDTESA-N 1 2 512.610 4.246 50 0 KIAALO COc1ccccc1C(=O)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)CC[NH+]1CCOCC1 ZINC000035829776 554079851 /nfs/dbraw/zinc/07/98/51/554079851.db2.gz TULZAHAJRQULNH-UHFFFAOYSA-N 1 2 508.619 4.228 50 0 KIAALO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000035844147 554082312 /nfs/dbraw/zinc/08/23/12/554082312.db2.gz QITCBHSOEKLXAA-XUJYPJAKSA-N 1 2 507.546 4.052 50 0 KIAALO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000035844147 554082306 /nfs/dbraw/zinc/08/23/06/554082306.db2.gz QITCBHSOEKLXAA-XUJYPJAKSA-N 1 2 507.546 4.052 50 0 KIAALO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](CCN2CCOCC2)Cc2ccc(F)c(F)c2)o1 ZINC000035844738 554083164 /nfs/dbraw/zinc/08/31/64/554083164.db2.gz YXVQVCXMOPBMGS-UHFFFAOYSA-N 1 2 511.613 4.272 50 0 KIAALO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](CCN2CCOCC2)Cc2ccc(F)c(F)c2)o1 ZINC000035844738 554083160 /nfs/dbraw/zinc/08/31/60/554083160.db2.gz YXVQVCXMOPBMGS-UHFFFAOYSA-N 1 2 511.613 4.272 50 0 KIAALO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCOCC2)Cc2cc(F)ccc2F)o1 ZINC000035844741 554083200 /nfs/dbraw/zinc/08/32/00/554083200.db2.gz GZGQOLGBTJXEPO-UHFFFAOYSA-N 1 2 511.613 4.272 50 0 KIAALO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCOCC2)Cc2cccc(F)c2F)o1 ZINC000035844742 554083361 /nfs/dbraw/zinc/08/33/61/554083361.db2.gz ZHQAKLIXBYZEEV-UHFFFAOYSA-N 1 2 511.613 4.272 50 0 KIAALO CCCc1nc2sc3c(c2c(N2CCN(C(=O)COc4ccc(Cl)cc4)CC2)n1)CC[N@@H+](CC)C3 ZINC000035868015 554085053 /nfs/dbraw/zinc/08/50/53/554085053.db2.gz OCNXOGYLPMTQKG-UHFFFAOYSA-N 1 2 514.095 4.403 50 0 KIAALO CCCc1nc2sc3c(c2c(N2CCN(C(=O)COc4ccc(Cl)cc4)CC2)n1)CC[N@H+](CC)C3 ZINC000035868015 554085051 /nfs/dbraw/zinc/08/50/51/554085051.db2.gz OCNXOGYLPMTQKG-UHFFFAOYSA-N 1 2 514.095 4.403 50 0 KIAALO CC[N@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)COc5ccccc5)CC4)c32)C1 ZINC000035868030 554085069 /nfs/dbraw/zinc/08/50/69/554085069.db2.gz HOATYYOELQHHAM-UHFFFAOYSA-N 1 2 527.694 4.388 50 0 KIAALO CC[N@@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)COc5ccccc5)CC4)c32)C1 ZINC000035868030 554085066 /nfs/dbraw/zinc/08/50/66/554085066.db2.gz HOATYYOELQHHAM-UHFFFAOYSA-N 1 2 527.694 4.388 50 0 KIAALO CCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc5ccccc5c4)CC2)n1)CC[N@H+](CC)C3 ZINC000035868070 554085510 /nfs/dbraw/zinc/08/55/10/554085510.db2.gz BCAXJZYISJZSDB-UHFFFAOYSA-N 1 2 521.712 4.296 50 0 KIAALO CCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc5ccccc5c4)CC2)n1)CC[N@@H+](CC)C3 ZINC000035868070 554085507 /nfs/dbraw/zinc/08/55/07/554085507.db2.gz BCAXJZYISJZSDB-UHFFFAOYSA-N 1 2 521.712 4.296 50 0 KIAALO Cc1nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000035888153 554089095 /nfs/dbraw/zinc/08/90/95/554089095.db2.gz QKXJYEBFRKNPBQ-UHFFFAOYSA-N 1 2 519.440 4.097 50 0 KIAALO COc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000035888175 554089155 /nfs/dbraw/zinc/08/91/55/554089155.db2.gz IKAIXTGZZFCIHP-UHFFFAOYSA-N 1 2 502.640 4.357 50 0 KIAALO CC[N@H+]1CCc2c(sc3nc(C)nc(N4CCN(C(=O)c5cccc(Br)c5)CC4)c32)C1 ZINC000035888280 554089349 /nfs/dbraw/zinc/08/93/49/554089349.db2.gz RSTPOSKYQBEXQG-UHFFFAOYSA-N 1 2 500.466 4.103 50 0 KIAALO CC[N@@H+]1CCc2c(sc3nc(C)nc(N4CCN(C(=O)c5cccc(Br)c5)CC4)c32)C1 ZINC000035888280 554089346 /nfs/dbraw/zinc/08/93/46/554089346.db2.gz RSTPOSKYQBEXQG-UHFFFAOYSA-N 1 2 500.466 4.103 50 0 KIAALO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccc(C)c4)[nH+]c(C)c3C(C)C)CC2)cc1 ZINC000035891173 554090343 /nfs/dbraw/zinc/09/03/43/554090343.db2.gz ANMHMNAWADBMEX-UHFFFAOYSA-N 1 2 507.660 4.353 50 0 KIAALO CCCC[C@@H](CC)C(=O)N1CCCN(c2nc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1 ZINC000035926418 554099517 /nfs/dbraw/zinc/09/95/17/554099517.db2.gz VWJNUWBSAJDNOU-JOCHJYFZSA-N 1 2 529.129 4.001 50 0 KIAALO CCCC[C@H](CC)C(=O)N1CCCN(c2nc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1 ZINC000035926419 554099653 /nfs/dbraw/zinc/09/96/53/554099653.db2.gz VWJNUWBSAJDNOU-QFIPXVFZSA-N 1 2 529.129 4.001 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000035945986 554102630 /nfs/dbraw/zinc/10/26/30/554102630.db2.gz JGGOBIFKGJYQKU-UHFFFAOYSA-N 1 2 519.827 4.440 50 0 KIAALO CC[NH+]1CCN(C2=C(c3c(-c4ccccc4)[nH]n(-c4ccccc4)c3=O)C(=O)N(C3CCCCC3)C2=O)CC1 ZINC000035960736 554108801 /nfs/dbraw/zinc/10/88/01/554108801.db2.gz BOIKJXLYSREANA-UHFFFAOYSA-N 1 2 525.653 4.295 50 0 KIAALO CC(C)c1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C1=C(N2CC[NH+](C)CC2)C(=O)N(c2ccc(F)cc2)C1=O ZINC000035960890 554108813 /nfs/dbraw/zinc/10/88/13/554108813.db2.gz XSKLNEKSQXHTKH-UHFFFAOYSA-N 1 2 523.996 4.026 50 0 KIAALO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000035991374 554124058 /nfs/dbraw/zinc/12/40/58/554124058.db2.gz IVFZFDGDVCDZPA-NRFANRHFSA-N 1 2 512.434 4.172 50 0 KIAALO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991375 554124202 /nfs/dbraw/zinc/12/42/02/554124202.db2.gz IVFZFDGDVCDZPA-OAQYLSRUSA-N 1 2 512.434 4.172 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993419 554126963 /nfs/dbraw/zinc/12/69/63/554126963.db2.gz XBGVHIFMADNYBI-RUZDIDTESA-N 1 2 525.049 4.010 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993419 554126961 /nfs/dbraw/zinc/12/69/61/554126961.db2.gz XBGVHIFMADNYBI-RUZDIDTESA-N 1 2 525.049 4.010 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993420 554127054 /nfs/dbraw/zinc/12/70/54/554127054.db2.gz XBGVHIFMADNYBI-VWLOTQADSA-N 1 2 525.049 4.010 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993420 554127052 /nfs/dbraw/zinc/12/70/52/554127052.db2.gz XBGVHIFMADNYBI-VWLOTQADSA-N 1 2 525.049 4.010 50 0 KIAALO COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)c3ccccc32)cc1 ZINC000035999893 554127228 /nfs/dbraw/zinc/12/72/28/554127228.db2.gz NPNJZWVZBXGOJI-UHFFFAOYSA-N 1 2 503.628 4.294 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000036005259 554129856 /nfs/dbraw/zinc/12/98/56/554129856.db2.gz CORRRXJIIDHAMF-RUZDIDTESA-N 1 2 524.687 4.233 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000036005259 554129854 /nfs/dbraw/zinc/12/98/54/554129854.db2.gz CORRRXJIIDHAMF-RUZDIDTESA-N 1 2 524.687 4.233 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000036005260 554129909 /nfs/dbraw/zinc/12/99/09/554129909.db2.gz CORRRXJIIDHAMF-VWLOTQADSA-N 1 2 524.687 4.233 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000036005260 554129907 /nfs/dbraw/zinc/12/99/07/554129907.db2.gz CORRRXJIIDHAMF-VWLOTQADSA-N 1 2 524.687 4.233 50 0 KIAALO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O)CC3 ZINC000036006850 554131758 /nfs/dbraw/zinc/13/17/58/554131758.db2.gz GARSJHZUTVRICM-LJAQVGFWSA-N 1 2 518.617 4.257 50 0 KIAALO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O)CC3 ZINC000036006850 554131756 /nfs/dbraw/zinc/13/17/56/554131756.db2.gz GARSJHZUTVRICM-LJAQVGFWSA-N 1 2 518.617 4.257 50 0 KIAALO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O)CC3 ZINC000036006851 554132026 /nfs/dbraw/zinc/13/20/26/554132026.db2.gz GARSJHZUTVRICM-GDLZYMKVSA-N 1 2 518.617 4.257 50 0 KIAALO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O)CC3 ZINC000036006851 554132022 /nfs/dbraw/zinc/13/20/22/554132022.db2.gz GARSJHZUTVRICM-GDLZYMKVSA-N 1 2 518.617 4.257 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036013877 554134878 /nfs/dbraw/zinc/13/48/78/554134878.db2.gz PGNMFXRHJDHFSN-VWLOTQADSA-N 1 2 525.049 4.092 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036013877 554134875 /nfs/dbraw/zinc/13/48/75/554134875.db2.gz PGNMFXRHJDHFSN-VWLOTQADSA-N 1 2 525.049 4.092 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036013879 554134814 /nfs/dbraw/zinc/13/48/14/554134814.db2.gz PGNMFXRHJDHFSN-RUZDIDTESA-N 1 2 525.049 4.092 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036013879 554134812 /nfs/dbraw/zinc/13/48/12/554134812.db2.gz PGNMFXRHJDHFSN-RUZDIDTESA-N 1 2 525.049 4.092 50 0 KIAALO COc1ccc(CCN(C)c2cc(C)[nH+]c(SCc3ccc(C(=O)N4CCOCC4)cc3)n2)cc1OC ZINC000036026106 554140849 /nfs/dbraw/zinc/14/08/49/554140849.db2.gz VXPKUCXOELFLEI-UHFFFAOYSA-N 1 2 522.671 4.246 50 0 KIAALO CC[C@@H](C)N1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027294 554140813 /nfs/dbraw/zinc/14/08/13/554140813.db2.gz IMFLJSBPPIXFJB-VGSWGCGISA-N 1 2 510.487 4.316 50 0 KIAALO CC[C@H](C)N1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027295 554140822 /nfs/dbraw/zinc/14/08/22/554140822.db2.gz IMFLJSBPPIXFJB-JTSKRJEESA-N 1 2 510.487 4.316 50 0 KIAALO CC[C@@H](C)N1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027296 554140803 /nfs/dbraw/zinc/14/08/03/554140803.db2.gz IMFLJSBPPIXFJB-VGOFRKELSA-N 1 2 510.487 4.316 50 0 KIAALO CC[C@H](C)N1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027297 554140602 /nfs/dbraw/zinc/14/06/02/554140602.db2.gz IMFLJSBPPIXFJB-HTAPYJJXSA-N 1 2 510.487 4.316 50 0 KIAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(C(=O)Nc3cccc(F)c3)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000036027878 554141141 /nfs/dbraw/zinc/14/11/41/554141141.db2.gz PIVOINYSLSFOJG-KBMIEXCESA-N 1 2 512.626 4.256 50 0 KIAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(C(=O)Nc3cccc(F)c3)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000036027879 554141054 /nfs/dbraw/zinc/14/10/54/554141054.db2.gz PIVOINYSLSFOJG-UQBPGWFLSA-N 1 2 512.626 4.256 50 0 KIAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(C(=O)Nc3cccc(F)c3)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000036027880 554141181 /nfs/dbraw/zinc/14/11/81/554141181.db2.gz PIVOINYSLSFOJG-CLOONOSVSA-N 1 2 512.626 4.256 50 0 KIAALO CC[C@H](C)[C@@H]1[NH2+]C2(CCN(C(=O)Nc3cccc(F)c3)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000036027881 554141104 /nfs/dbraw/zinc/14/11/04/554141104.db2.gz PIVOINYSLSFOJG-DFBJGRDBSA-N 1 2 512.626 4.256 50 0 KIAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(C(=S)Nc3ccccc3F)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000036027966 554141503 /nfs/dbraw/zinc/14/15/03/554141503.db2.gz PSSTXYIBUDKHPU-KBMIEXCESA-N 1 2 528.694 4.421 50 0 KIAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(C(=S)Nc3ccccc3F)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000036027967 554141552 /nfs/dbraw/zinc/14/15/52/554141552.db2.gz PSSTXYIBUDKHPU-UQBPGWFLSA-N 1 2 528.694 4.421 50 0 KIAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(C(=S)Nc3ccccc3F)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000036027968 554141446 /nfs/dbraw/zinc/14/14/46/554141446.db2.gz PSSTXYIBUDKHPU-CLOONOSVSA-N 1 2 528.694 4.421 50 0 KIAALO CC[C@H](C)[C@@H]1[NH2+]C2(CCN(C(=S)Nc3ccccc3F)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000036027969 554141519 /nfs/dbraw/zinc/14/15/19/554141519.db2.gz PSSTXYIBUDKHPU-DFBJGRDBSA-N 1 2 528.694 4.421 50 0 KIAALO CCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NCCOC)cc2)[nH+]1 ZINC000036028329 554141435 /nfs/dbraw/zinc/14/14/35/554141435.db2.gz VYZSZNLZVLZEJC-UHFFFAOYSA-N 1 2 509.651 4.173 50 0 KIAALO CCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NCCOC)cc2)[nH+]1 ZINC000036028378 554141547 /nfs/dbraw/zinc/14/15/47/554141547.db2.gz JMYQKDKZURPPLG-UHFFFAOYSA-N 1 2 524.687 4.404 50 0 KIAALO CCc1cc(N(C)Cc2ccccc2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)[nH+]1 ZINC000036028400 554141768 /nfs/dbraw/zinc/14/17/68/554141768.db2.gz TUXJVIWNDLZISV-UHFFFAOYSA-N 1 2 503.672 4.272 50 0 KIAALO Cc1nc(SCc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)nc(N(C)Cc2ccccc2)c1C ZINC000036029231 554141751 /nfs/dbraw/zinc/14/17/51/554141751.db2.gz RRTCTJFPTBSVLN-UHFFFAOYSA-N 1 2 505.688 4.084 50 0 KIAALO COc1ccc(CCN2C(=O)[C@@H](CC(C)C)[NH2+]C23CCN(C(=O)c2ccc(Cl)cc2)CC3)cc1OC ZINC000036029718 554141803 /nfs/dbraw/zinc/14/18/03/554141803.db2.gz SBJRVHZYPMYBMX-HSZRJFAPSA-N 1 2 514.066 4.379 50 0 KIAALO COc1ccc(CCN2C(=O)[C@H](CC(C)C)[NH2+]C23CCN(C(=O)c2ccc(Cl)cc2)CC3)cc1OC ZINC000036029720 554141843 /nfs/dbraw/zinc/14/18/43/554141843.db2.gz SBJRVHZYPMYBMX-QHCPKHFHSA-N 1 2 514.066 4.379 50 0 KIAALO CC(C)C[C@H]1[NH2+]C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036032544 554146066 /nfs/dbraw/zinc/14/60/66/554146066.db2.gz VXUISZCAFSRDMF-OAQYLSRUSA-N 1 2 517.548 4.413 50 0 KIAALO CC(C)C[C@@H]1[NH2+]C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036032545 554146019 /nfs/dbraw/zinc/14/60/19/554146019.db2.gz VXUISZCAFSRDMF-NRFANRHFSA-N 1 2 517.548 4.413 50 0 KIAALO CC(C)C[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccccc3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036032818 554146104 /nfs/dbraw/zinc/14/61/04/554146104.db2.gz RUOKSDNWQZXYKS-JOCHJYFZSA-N 1 2 509.594 4.233 50 0 KIAALO CC(C)C[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccccc3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036032819 554146257 /nfs/dbraw/zinc/14/62/57/554146257.db2.gz RUOKSDNWQZXYKS-QFIPXVFZSA-N 1 2 509.594 4.233 50 0 KIAALO CC(C)C[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036032823 554146286 /nfs/dbraw/zinc/14/62/86/554146286.db2.gz CJXSYZCXKMMWNW-JOCHJYFZSA-N 1 2 527.584 4.372 50 0 KIAALO CC(C)C[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036032824 554146263 /nfs/dbraw/zinc/14/62/63/554146263.db2.gz CJXSYZCXKMMWNW-QFIPXVFZSA-N 1 2 527.584 4.372 50 0 KIAALO CCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2cccc(C(=O)NCCOC)c2)[nH+]1 ZINC000036038503 554146497 /nfs/dbraw/zinc/14/64/97/554146497.db2.gz OOLFVRARLQXHJQ-UHFFFAOYSA-N 1 2 509.651 4.173 50 0 KIAALO CCc1cc(N2CCN(C(C)=O)CC2)nc(SCc2cccc(C(=O)N(C)Cc3ccccc3)c2)[nH+]1 ZINC000036038539 554146905 /nfs/dbraw/zinc/14/69/05/554146905.db2.gz SUPGBYLUDMYEDL-UHFFFAOYSA-N 1 2 503.672 4.272 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCCC3)n2)cc1 ZINC000036038569 554146845 /nfs/dbraw/zinc/14/68/45/554146845.db2.gz NBQCFWKAHFZWKL-UHFFFAOYSA-N 1 2 503.672 4.098 50 0 KIAALO CCCN(C)c1cc(-c2ccccc2)nc(SCc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)n1 ZINC000036038688 554146798 /nfs/dbraw/zinc/14/67/98/554146798.db2.gz HGNAFYHYFRZJIO-UHFFFAOYSA-N 1 2 505.688 4.344 50 0 KIAALO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)[nH+]1 ZINC000036038719 554146868 /nfs/dbraw/zinc/14/68/68/554146868.db2.gz NKOSXDABTWLRPG-QHCPKHFHSA-N 1 2 521.662 4.452 50 0 KIAALO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2cccc(C(=O)NC[C@H]3CCCO3)c2)[nH+]1 ZINC000036038720 554146819 /nfs/dbraw/zinc/14/68/19/554146819.db2.gz NKOSXDABTWLRPG-HSZRJFAPSA-N 1 2 521.662 4.452 50 0 KIAALO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2cccc(C(=O)N3CCOCC3)c2)[nH+]1 ZINC000036038723 554146779 /nfs/dbraw/zinc/14/67/79/554146779.db2.gz QUUXGFPBMVVSTP-UHFFFAOYSA-N 1 2 507.635 4.015 50 0 KIAALO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NCc3ccccn3)o2)[nH+]1 ZINC000036038904 554147129 /nfs/dbraw/zinc/14/71/29/554147129.db2.gz HVDOXUPYMMNMMC-UHFFFAOYSA-N 1 2 518.618 4.461 50 0 KIAALO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NCc3cccnc3)o2)[nH+]1 ZINC000036038905 554147190 /nfs/dbraw/zinc/14/71/90/554147190.db2.gz GDVPXEKWQRPPRZ-UHFFFAOYSA-N 1 2 518.618 4.461 50 0 KIAALO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)o2)[nH+]1 ZINC000036038907 554147172 /nfs/dbraw/zinc/14/71/72/554147172.db2.gz AODDSOCRLPFMDD-IBGZPJMESA-N 1 2 511.623 4.045 50 0 KIAALO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)o2)[nH+]1 ZINC000036038908 554147079 /nfs/dbraw/zinc/14/70/79/554147079.db2.gz AODDSOCRLPFMDD-LJQANCHMSA-N 1 2 511.623 4.045 50 0 KIAALO COCCNC(=O)c1ccc(CSc2nc(N3CCN(c4ccccc4Cl)CC3)cc(C)[nH+]2)o1 ZINC000036038935 554147137 /nfs/dbraw/zinc/14/71/37/554147137.db2.gz BLPQPJCQYHFPJM-UHFFFAOYSA-N 1 2 502.040 4.027 50 0 KIAALO Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2ccc(C(=O)N3CCOCC3)o2)[nH+]1 ZINC000036038942 554147481 /nfs/dbraw/zinc/14/74/81/554147481.db2.gz HPTBUDMWHUJMFV-UHFFFAOYSA-N 1 2 514.051 4.123 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000036043283 554151900 /nfs/dbraw/zinc/15/19/00/554151900.db2.gz SAUAPHOQGNZURQ-NGOKVRLYSA-N 1 2 510.656 4.487 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000036043283 554151897 /nfs/dbraw/zinc/15/18/97/554151897.db2.gz SAUAPHOQGNZURQ-NGOKVRLYSA-N 1 2 510.656 4.487 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000036043284 554151874 /nfs/dbraw/zinc/15/18/74/554151874.db2.gz SAUAPHOQGNZURQ-PIIWDFAUSA-N 1 2 510.656 4.487 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000036043284 554151871 /nfs/dbraw/zinc/15/18/71/554151871.db2.gz SAUAPHOQGNZURQ-PIIWDFAUSA-N 1 2 510.656 4.487 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccccc2F)cc1 ZINC000036043341 554151835 /nfs/dbraw/zinc/15/18/35/554151835.db2.gz UFKDIFZWLAWGMC-XRHLQHRESA-N 1 2 514.619 4.318 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccccc2F)cc1 ZINC000036043341 554151832 /nfs/dbraw/zinc/15/18/32/554151832.db2.gz UFKDIFZWLAWGMC-XRHLQHRESA-N 1 2 514.619 4.318 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccccc2F)cc1 ZINC000036043342 554151854 /nfs/dbraw/zinc/15/18/54/554151854.db2.gz UFKDIFZWLAWGMC-DNOBIOAJSA-N 1 2 514.619 4.318 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccccc2F)cc1 ZINC000036043342 554151851 /nfs/dbraw/zinc/15/18/51/554151851.db2.gz UFKDIFZWLAWGMC-DNOBIOAJSA-N 1 2 514.619 4.318 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccccc2F)cc1 ZINC000036043343 554151803 /nfs/dbraw/zinc/15/18/03/554151803.db2.gz UFKDIFZWLAWGMC-MYUZEXMDSA-N 1 2 514.619 4.318 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccccc2F)cc1 ZINC000036043343 554151799 /nfs/dbraw/zinc/15/17/99/554151799.db2.gz UFKDIFZWLAWGMC-MYUZEXMDSA-N 1 2 514.619 4.318 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccccc2F)cc1 ZINC000036043344 554151773 /nfs/dbraw/zinc/15/17/73/554151773.db2.gz UFKDIFZWLAWGMC-CLYVBNDRSA-N 1 2 514.619 4.318 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccccc2F)cc1 ZINC000036043344 554151770 /nfs/dbraw/zinc/15/17/70/554151770.db2.gz UFKDIFZWLAWGMC-CLYVBNDRSA-N 1 2 514.619 4.318 50 0 KIAALO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036048567 554154584 /nfs/dbraw/zinc/15/45/84/554154584.db2.gz MOIQAUMSDAGPCI-DEOSSOPVSA-N 1 2 517.047 4.444 50 0 KIAALO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036048567 554154579 /nfs/dbraw/zinc/15/45/79/554154579.db2.gz MOIQAUMSDAGPCI-DEOSSOPVSA-N 1 2 517.047 4.444 50 0 KIAALO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036048568 554154453 /nfs/dbraw/zinc/15/44/53/554154453.db2.gz MOIQAUMSDAGPCI-XMMPIXPASA-N 1 2 517.047 4.444 50 0 KIAALO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036048568 554154450 /nfs/dbraw/zinc/15/44/50/554154450.db2.gz MOIQAUMSDAGPCI-XMMPIXPASA-N 1 2 517.047 4.444 50 0 KIAALO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)[nH+]1 ZINC000036053834 554158728 /nfs/dbraw/zinc/15/87/28/554158728.db2.gz JMJVFUNBKBGIPM-QHCPKHFHSA-N 1 2 521.662 4.452 50 0 KIAALO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)cc2)[nH+]1 ZINC000036053835 554158710 /nfs/dbraw/zinc/15/87/10/554158710.db2.gz JMJVFUNBKBGIPM-HSZRJFAPSA-N 1 2 521.662 4.452 50 0 KIAALO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)[nH+]1 ZINC000036053838 554158757 /nfs/dbraw/zinc/15/87/57/554158757.db2.gz JGMBQZUPEXKBEO-UHFFFAOYSA-N 1 2 507.635 4.015 50 0 KIAALO COCCNC(=O)c1cccc(CSc2nc(N(C)CCc3ccc(OC)c(OC)c3)cc(C)[nH+]2)c1 ZINC000036053852 554158677 /nfs/dbraw/zinc/15/86/77/554158677.db2.gz CNSLSKRFIACHDT-UHFFFAOYSA-N 1 2 510.660 4.150 50 0 KIAALO COc1ccc(CCN(C)c2cc(C)[nH+]c(SCc3cccc(C(=O)N4CCOCC4)c3)n2)cc1OC ZINC000036053857 554158770 /nfs/dbraw/zinc/15/87/70/554158770.db2.gz RPBGFLHBGINCJX-UHFFFAOYSA-N 1 2 522.671 4.246 50 0 KIAALO COCCNC(=O)c1cccc(CSc2nc(N3CCN(c4ccccc4Cl)CC3)cc(C)[nH+]2)c1 ZINC000036059187 554160361 /nfs/dbraw/zinc/16/03/61/554160361.db2.gz GAKWUXIIXCQCAO-UHFFFAOYSA-N 1 2 512.079 4.434 50 0 KIAALO C[NH+]1CCN(C(=O)c2coc(CN(Cc3ccc(C(C)(C)C)cc3)Cc3ccc4c(c3)OCO4)n2)CC1 ZINC000036061545 554161492 /nfs/dbraw/zinc/16/14/92/554161492.db2.gz LJVMSPLRDPOBDZ-UHFFFAOYSA-N 1 2 504.631 4.291 50 0 KIAALO CC(=O)N1CCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3ccc(Cl)cc3)n2)CC1 ZINC000036064068 554162976 /nfs/dbraw/zinc/16/29/76/554162976.db2.gz MNMGFVFVUQXMIF-UHFFFAOYSA-N 1 2 520.033 4.359 50 0 KIAALO CC(=O)N1CCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3ccc(Cl)cc3)n2)CC1 ZINC000036064068 554162972 /nfs/dbraw/zinc/16/29/72/554162972.db2.gz MNMGFVFVUQXMIF-UHFFFAOYSA-N 1 2 520.033 4.359 50 0 KIAALO COCCNC(=O)c1cccc(CSc2nc(N3CCN(c4ccccc4F)CC3)c(C)c(C)[nH+]2)c1 ZINC000036064104 554162939 /nfs/dbraw/zinc/16/29/39/554162939.db2.gz BWFHARQHXLJTQJ-UHFFFAOYSA-N 1 2 509.651 4.228 50 0 KIAALO Cc1[nH+]c(SCc2cccc(C(=O)N3CCOCC3)c2)nc(N2CCN(c3ccccc3F)CC2)c1C ZINC000036064108 554162951 /nfs/dbraw/zinc/16/29/51/554162951.db2.gz BYRFGRMNZNKQKO-UHFFFAOYSA-N 1 2 521.662 4.324 50 0 KIAALO COCCNC(=O)c1ccc(CSc2nc(N(C)CCc3ccc(OC)c(OC)c3)c(C)c(C)[nH+]2)cc1 ZINC000036064149 554162832 /nfs/dbraw/zinc/16/28/32/554162832.db2.gz SYTOKNXAAVQQTC-UHFFFAOYSA-N 1 2 524.687 4.458 50 0 KIAALO COCCNC(=O)c1cccc(CSc2nc(N(C)CCc3ccc(OC)c(OC)c3)c(C)c(C)[nH+]2)c1 ZINC000036064192 554163190 /nfs/dbraw/zinc/16/31/90/554163190.db2.gz GEBBHXVUZXYDDG-UHFFFAOYSA-N 1 2 524.687 4.458 50 0 KIAALO COc1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)c(OC)c1 ZINC000036064232 554163479 /nfs/dbraw/zinc/16/34/79/554163479.db2.gz ZSZPHPGXOHQSAU-QHCPKHFHSA-N 1 2 518.614 4.327 50 0 KIAALO COc1ccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)c(OC)c1 ZINC000036064232 554163476 /nfs/dbraw/zinc/16/34/76/554163476.db2.gz ZSZPHPGXOHQSAU-QHCPKHFHSA-N 1 2 518.614 4.327 50 0 KIAALO COc1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@H]3CCCO3)co2)c(OC)c1 ZINC000036064233 554163439 /nfs/dbraw/zinc/16/34/39/554163439.db2.gz ZSZPHPGXOHQSAU-HSZRJFAPSA-N 1 2 518.614 4.327 50 0 KIAALO COc1ccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@H]3CCCO3)co2)c(OC)c1 ZINC000036064233 554163437 /nfs/dbraw/zinc/16/34/37/554163437.db2.gz ZSZPHPGXOHQSAU-HSZRJFAPSA-N 1 2 518.614 4.327 50 0 KIAALO COc1ccc(OC)c(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)c1 ZINC000036064243 554163588 /nfs/dbraw/zinc/16/35/88/554163588.db2.gz HDHWIYGRLLYYSJ-QHCPKHFHSA-N 1 2 518.614 4.327 50 0 KIAALO COc1ccc(OC)c(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)c1 ZINC000036064243 554163584 /nfs/dbraw/zinc/16/35/84/554163584.db2.gz HDHWIYGRLLYYSJ-QHCPKHFHSA-N 1 2 518.614 4.327 50 0 KIAALO COc1ccc(OC)c(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@H]3CCCO3)co2)c1 ZINC000036064244 554163569 /nfs/dbraw/zinc/16/35/69/554163569.db2.gz HDHWIYGRLLYYSJ-HSZRJFAPSA-N 1 2 518.614 4.327 50 0 KIAALO COc1ccc(OC)c(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@H]3CCCO3)co2)c1 ZINC000036064244 554163566 /nfs/dbraw/zinc/16/35/66/554163566.db2.gz HDHWIYGRLLYYSJ-HSZRJFAPSA-N 1 2 518.614 4.327 50 0 KIAALO COc1cccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)c1OC ZINC000036065655 554164494 /nfs/dbraw/zinc/16/44/94/554164494.db2.gz GIBVCRIEUSACBF-QFIPXVFZSA-N 1 2 518.614 4.327 50 0 KIAALO COc1cccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)c1OC ZINC000036065655 554164491 /nfs/dbraw/zinc/16/44/91/554164491.db2.gz GIBVCRIEUSACBF-QFIPXVFZSA-N 1 2 518.614 4.327 50 0 KIAALO COc1cccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@H]3CCCO3)co2)c1OC ZINC000036065656 554164447 /nfs/dbraw/zinc/16/44/47/554164447.db2.gz GIBVCRIEUSACBF-JOCHJYFZSA-N 1 2 518.614 4.327 50 0 KIAALO COc1cccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@H]3CCCO3)co2)c1OC ZINC000036065656 554164443 /nfs/dbraw/zinc/16/44/43/554164443.db2.gz GIBVCRIEUSACBF-JOCHJYFZSA-N 1 2 518.614 4.327 50 0 KIAALO C[NH+]1CCN(C(=O)c2coc(CN(Cc3ccc(C(F)(F)F)cc3)Cc3ccc4c(c3)OCO4)n2)CC1 ZINC000036065745 554164860 /nfs/dbraw/zinc/16/48/60/554164860.db2.gz RTEXRSDJDVGUHJ-UHFFFAOYSA-N 1 2 516.520 4.012 50 0 KIAALO C[NH+]1CCN(C(=O)c2coc(CN(Cc3ccc4c(c3)OCO4)Cc3ccc(Cl)cc3Cl)n2)CC1 ZINC000036065843 554165014 /nfs/dbraw/zinc/16/50/14/554165014.db2.gz NZNTYLUHBZQPFK-UHFFFAOYSA-N 1 2 517.413 4.300 50 0 KIAALO C[NH+]1CCN(C(=O)c2coc(CN(Cc3ccc4c(c3)OCO4)Cc3ccccc3C(F)(F)F)n2)CC1 ZINC000036068492 554165906 /nfs/dbraw/zinc/16/59/06/554165906.db2.gz LDGVHBUBPKTFNE-UHFFFAOYSA-N 1 2 516.520 4.012 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000036080284 554174521 /nfs/dbraw/zinc/17/45/21/554174521.db2.gz NAHPWHYLRYWBOX-JIPXPUAJSA-N 1 2 506.647 4.164 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000036080284 554174519 /nfs/dbraw/zinc/17/45/19/554174519.db2.gz NAHPWHYLRYWBOX-JIPXPUAJSA-N 1 2 506.647 4.164 50 0 KIAALO CCOC(=O)C1C(C[N@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000036080284 554174516 /nfs/dbraw/zinc/17/45/16/554174516.db2.gz NAHPWHYLRYWBOX-JIPXPUAJSA-N 1 2 506.647 4.164 50 0 KIAALO CCOC(=O)C1C(C[N@@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000036080284 554174514 /nfs/dbraw/zinc/17/45/14/554174514.db2.gz NAHPWHYLRYWBOX-JIPXPUAJSA-N 1 2 506.647 4.164 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000036080286 554174500 /nfs/dbraw/zinc/17/45/00/554174500.db2.gz NAHPWHYLRYWBOX-ZBLYBZFDSA-N 1 2 506.647 4.164 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000036080286 554174497 /nfs/dbraw/zinc/17/44/97/554174497.db2.gz NAHPWHYLRYWBOX-ZBLYBZFDSA-N 1 2 506.647 4.164 50 0 KIAALO CCOC(=O)C1C(C[N@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000036080286 554174494 /nfs/dbraw/zinc/17/44/94/554174494.db2.gz NAHPWHYLRYWBOX-ZBLYBZFDSA-N 1 2 506.647 4.164 50 0 KIAALO CCOC(=O)C1C(C[N@@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000036080286 554174490 /nfs/dbraw/zinc/17/44/90/554174490.db2.gz NAHPWHYLRYWBOX-ZBLYBZFDSA-N 1 2 506.647 4.164 50 0 KIAALO O=C(C[N@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000036080451 554174424 /nfs/dbraw/zinc/17/44/24/554174424.db2.gz SQQNGDUWEUSKFU-MUUNZHRXSA-N 1 2 522.580 4.087 50 0 KIAALO O=C(C[N@@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000036080451 554174420 /nfs/dbraw/zinc/17/44/20/554174420.db2.gz SQQNGDUWEUSKFU-MUUNZHRXSA-N 1 2 522.580 4.087 50 0 KIAALO O=C(C[N@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000036080452 554174547 /nfs/dbraw/zinc/17/45/47/554174547.db2.gz SQQNGDUWEUSKFU-NDEPHWFRSA-N 1 2 522.580 4.087 50 0 KIAALO O=C(C[N@@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000036080452 554174545 /nfs/dbraw/zinc/17/45/45/554174545.db2.gz SQQNGDUWEUSKFU-NDEPHWFRSA-N 1 2 522.580 4.087 50 0 KIAALO Cc1cccc(C(=O)N(CC[NH+]2CCOCC2)Cc2cc(Cl)ccc2OCc2nc(CO)cs2)c1 ZINC000036094408 554178171 /nfs/dbraw/zinc/17/81/71/554178171.db2.gz KDPGUVINCCAENY-UHFFFAOYSA-N 1 2 516.063 4.151 50 0 KIAALO COCCC[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CN(Cc1ccccc1)CC3)C[C@H](O)c1ccccc1 ZINC000036155980 554198830 /nfs/dbraw/zinc/19/88/30/554198830.db2.gz HDZRPCBVGWIDMK-DEOSSOPVSA-N 1 2 518.683 4.115 50 0 KIAALO COCCC[N@@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CN(Cc1ccccc1)CC3)C[C@H](O)c1ccccc1 ZINC000036155980 554198828 /nfs/dbraw/zinc/19/88/28/554198828.db2.gz HDZRPCBVGWIDMK-DEOSSOPVSA-N 1 2 518.683 4.115 50 0 KIAALO COCCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036161524 554199100 /nfs/dbraw/zinc/19/91/00/554199100.db2.gz XTEXSJNNNWJCPS-AEFFLSMTSA-N 1 2 506.068 4.041 50 0 KIAALO COCCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036161524 554199096 /nfs/dbraw/zinc/19/90/96/554199096.db2.gz XTEXSJNNNWJCPS-AEFFLSMTSA-N 1 2 506.068 4.041 50 0 KIAALO COCCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036161528 554199185 /nfs/dbraw/zinc/19/91/85/554199185.db2.gz XTEXSJNNNWJCPS-WMZOPIPTSA-N 1 2 506.068 4.041 50 0 KIAALO COCCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036161528 554199182 /nfs/dbraw/zinc/19/91/82/554199182.db2.gz XTEXSJNNNWJCPS-WMZOPIPTSA-N 1 2 506.068 4.041 50 0 KIAALO COc1ccc(-c2csc3[nH]c(C[N@H+](Cc4ccccc4)C[C@@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036205924 554201482 /nfs/dbraw/zinc/20/14/82/554201482.db2.gz KYOPAANHAAJGSM-OAQYLSRUSA-N 1 2 523.655 4.457 50 0 KIAALO COc1ccc(-c2csc3[nH]c(C[N@@H+](Cc4ccccc4)C[C@@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036205924 554201479 /nfs/dbraw/zinc/20/14/79/554201479.db2.gz KYOPAANHAAJGSM-OAQYLSRUSA-N 1 2 523.655 4.457 50 0 KIAALO COc1ccc(-c2csc3[nH]c(C[N@H+](Cc4ccccc4)C[C@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036205927 554201543 /nfs/dbraw/zinc/20/15/43/554201543.db2.gz KYOPAANHAAJGSM-NRFANRHFSA-N 1 2 523.655 4.457 50 0 KIAALO COc1ccc(-c2csc3[nH]c(C[N@@H+](Cc4ccccc4)C[C@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036205927 554201540 /nfs/dbraw/zinc/20/15/40/554201540.db2.gz KYOPAANHAAJGSM-NRFANRHFSA-N 1 2 523.655 4.457 50 0 KIAALO CCOC[C@H](O)C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036205930 554201530 /nfs/dbraw/zinc/20/15/30/554201530.db2.gz IINAXOHSRJXPEU-HXUWFJFHSA-N 1 2 509.628 4.068 50 0 KIAALO CCOC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036205930 554201528 /nfs/dbraw/zinc/20/15/28/554201528.db2.gz IINAXOHSRJXPEU-HXUWFJFHSA-N 1 2 509.628 4.068 50 0 KIAALO CCOC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036205934 554201711 /nfs/dbraw/zinc/20/17/11/554201711.db2.gz IINAXOHSRJXPEU-FQEVSTJZSA-N 1 2 509.628 4.068 50 0 KIAALO CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036205934 554201708 /nfs/dbraw/zinc/20/17/08/554201708.db2.gz IINAXOHSRJXPEU-FQEVSTJZSA-N 1 2 509.628 4.068 50 0 KIAALO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@H](O)COC(C)(C)C)nc(=O)c12 ZINC000036206834 554202127 /nfs/dbraw/zinc/20/21/27/554202127.db2.gz ZVAKHARHIBQVSN-IBGZPJMESA-N 1 2 501.649 4.036 50 0 KIAALO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@H](O)COC(C)(C)C)nc(=O)c12 ZINC000036206834 554202123 /nfs/dbraw/zinc/20/21/23/554202123.db2.gz ZVAKHARHIBQVSN-IBGZPJMESA-N 1 2 501.649 4.036 50 0 KIAALO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@@H](O)COC(C)(C)C)nc(=O)c12 ZINC000036206835 554202226 /nfs/dbraw/zinc/20/22/26/554202226.db2.gz ZVAKHARHIBQVSN-LJQANCHMSA-N 1 2 501.649 4.036 50 0 KIAALO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@@H](O)COC(C)(C)C)nc(=O)c12 ZINC000036206835 554202224 /nfs/dbraw/zinc/20/22/24/554202224.db2.gz ZVAKHARHIBQVSN-LJQANCHMSA-N 1 2 501.649 4.036 50 0 KIAALO COc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@H](O)COc4ccccc4)C(C)C)nc(=O)c23)cc1OC ZINC000036207705 554202511 /nfs/dbraw/zinc/20/25/11/554202511.db2.gz WBNCAWJHSSTSKP-IBGZPJMESA-N 1 2 509.628 4.319 50 0 KIAALO COc1ccc(-c2csc3[nH]c(C[N@H+](C[C@H](O)COc4ccccc4)C(C)C)nc(=O)c23)cc1OC ZINC000036207705 554202508 /nfs/dbraw/zinc/20/25/08/554202508.db2.gz WBNCAWJHSSTSKP-IBGZPJMESA-N 1 2 509.628 4.319 50 0 KIAALO COc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@@H](O)COc4ccccc4)C(C)C)nc(=O)c23)cc1OC ZINC000036207706 554202689 /nfs/dbraw/zinc/20/26/89/554202689.db2.gz WBNCAWJHSSTSKP-LJQANCHMSA-N 1 2 509.628 4.319 50 0 KIAALO COc1ccc(-c2csc3[nH]c(C[N@H+](C[C@@H](O)COc4ccccc4)C(C)C)nc(=O)c23)cc1OC ZINC000036207706 554202686 /nfs/dbraw/zinc/20/26/86/554202686.db2.gz WBNCAWJHSSTSKP-LJQANCHMSA-N 1 2 509.628 4.319 50 0 KIAALO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@H](C(=O)N[C@@H]3CCCc4ccccc43)C3CCCC3)CC2)c1 ZINC000036252593 554210501 /nfs/dbraw/zinc/21/05/01/554210501.db2.gz BVBHITJCGPSDHG-IZLXSDGUSA-N 1 2 505.659 4.214 50 0 KIAALO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@@H](C(=O)N[C@@H]3CCCc4ccccc43)C3CCCC3)CC2)c1 ZINC000036252595 554210492 /nfs/dbraw/zinc/21/04/92/554210492.db2.gz BVBHITJCGPSDHG-VSGBNLITSA-N 1 2 505.659 4.214 50 0 KIAALO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@H](C(=O)N[C@H]3CCCc4ccccc43)C3CCCC3)CC2)c1 ZINC000036252599 554210639 /nfs/dbraw/zinc/21/06/39/554210639.db2.gz BVBHITJCGPSDHG-NSOVKSMOSA-N 1 2 505.659 4.214 50 0 KIAALO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@@H](C(=O)N[C@H]3CCCc4ccccc43)C3CCCC3)CC2)c1 ZINC000036252602 554210528 /nfs/dbraw/zinc/21/05/28/554210528.db2.gz BVBHITJCGPSDHG-WUFINQPMSA-N 1 2 505.659 4.214 50 0 KIAALO CC(C)(C)c1ccc(C(=O)N2CC[NH+]([C@H](C(=O)NCc3ccc4c(c3)OCO4)C3CCCC3)CC2)cc1 ZINC000036252758 554210549 /nfs/dbraw/zinc/21/05/49/554210549.db2.gz GNVMBGPRNCIBBX-MHZLTWQESA-N 1 2 505.659 4.346 50 0 KIAALO CC(C)(C)c1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)NCc3ccc4c(c3)OCO4)C3CCCC3)CC2)cc1 ZINC000036252762 554210485 /nfs/dbraw/zinc/21/04/85/554210485.db2.gz GNVMBGPRNCIBBX-HHHXNRCGSA-N 1 2 505.659 4.346 50 0 KIAALO O=C(NCc1ccc2c(c1)OCO2)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036252803 554210561 /nfs/dbraw/zinc/21/05/61/554210561.db2.gz ZHHFMQKXXODNEK-XMMPIXPASA-N 1 2 518.441 4.355 50 0 KIAALO O=C(NCc1ccc2c(c1)OCO2)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036252807 554210533 /nfs/dbraw/zinc/21/05/33/554210533.db2.gz ZHHFMQKXXODNEK-DEOSSOPVSA-N 1 2 518.441 4.355 50 0 KIAALO COc1ccc(CCNC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000036255523 554210590 /nfs/dbraw/zinc/21/05/90/554210590.db2.gz KEHBKTVWCBSDQY-RUZDIDTESA-N 1 2 517.592 4.390 50 0 biogenic KIAALO COc1ccc(CCNC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000036255526 554210584 /nfs/dbraw/zinc/21/05/84/554210584.db2.gz KEHBKTVWCBSDQY-VWLOTQADSA-N 1 2 517.592 4.390 50 0 biogenic KIAALO COc1ccc(CCNC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000036255600 554210577 /nfs/dbraw/zinc/21/05/77/554210577.db2.gz WJIBVOQKEGWKMF-RUZDIDTESA-N 1 2 528.491 4.133 50 0 KIAALO COc1ccc(CCNC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000036255603 554210619 /nfs/dbraw/zinc/21/06/19/554210619.db2.gz WJIBVOQKEGWKMF-VWLOTQADSA-N 1 2 528.491 4.133 50 0 KIAALO COc1cc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000036311680 554218011 /nfs/dbraw/zinc/21/80/11/554218011.db2.gz HKVCORQAVKVINX-AREMUKBSSA-N 1 2 516.038 4.078 50 0 KIAALO COc1cc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000036311681 554217995 /nfs/dbraw/zinc/21/79/95/554217995.db2.gz HKVCORQAVKVINX-SANMLTNESA-N 1 2 516.038 4.078 50 0 KIAALO COc1ccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1OC ZINC000036311852 554217983 /nfs/dbraw/zinc/21/79/83/554217983.db2.gz LMPUWLHUVSADMM-AREMUKBSSA-N 1 2 516.038 4.078 50 0 KIAALO COc1ccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1OC ZINC000036311853 554218017 /nfs/dbraw/zinc/21/80/17/554218017.db2.gz LMPUWLHUVSADMM-SANMLTNESA-N 1 2 516.038 4.078 50 0 KIAALO O=C(Nc1ccc2c(c1)OCO2)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036311938 554218181 /nfs/dbraw/zinc/21/81/81/554218181.db2.gz GKNPOYIITUYALN-QHCPKHFHSA-N 1 2 514.420 4.133 50 0 KIAALO O=C(Nc1ccc2c(c1)OCO2)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036311939 554218073 /nfs/dbraw/zinc/21/80/73/554218073.db2.gz GKNPOYIITUYALN-HSZRJFAPSA-N 1 2 514.420 4.133 50 0 KIAALO CC(=O)Nc1ccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000036311996 554218521 /nfs/dbraw/zinc/21/85/21/554218521.db2.gz ZNELQEGOMPVKIJ-XMMPIXPASA-N 1 2 527.463 4.363 50 0 KIAALO CC(=O)Nc1ccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000036311997 554218449 /nfs/dbraw/zinc/21/84/49/554218449.db2.gz ZNELQEGOMPVKIJ-DEOSSOPVSA-N 1 2 527.463 4.363 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2Cl)CC1 ZINC000036341030 554220615 /nfs/dbraw/zinc/22/06/15/554220615.db2.gz JAOJDANDUGKORQ-DEOSSOPVSA-N 1 2 514.022 4.310 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036341031 554220579 /nfs/dbraw/zinc/22/05/79/554220579.db2.gz JAOJDANDUGKORQ-XMMPIXPASA-N 1 2 514.022 4.310 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2cc(OC)ccc2OC)CC1 ZINC000036341689 554220746 /nfs/dbraw/zinc/22/07/46/554220746.db2.gz YSYTUJNVSMWDQT-SANMLTNESA-N 1 2 507.631 4.273 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2cc(OC)ccc2OC)CC1 ZINC000036341690 554220770 /nfs/dbraw/zinc/22/07/70/554220770.db2.gz YSYTUJNVSMWDQT-AREMUKBSSA-N 1 2 507.631 4.273 50 0 KIAALO COc1ccc(C2=NN(C(=O)C[N@H+]3CCc4ccccc4C3)[C@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000036343285 554221893 /nfs/dbraw/zinc/22/18/93/554221893.db2.gz GAFHCKGYPYIXRJ-MHZLTWQESA-N 1 2 515.610 4.457 50 0 KIAALO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCc4ccccc4C3)[C@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000036343285 554221891 /nfs/dbraw/zinc/22/18/91/554221891.db2.gz GAFHCKGYPYIXRJ-MHZLTWQESA-N 1 2 515.610 4.457 50 0 KIAALO COc1ccc(C2=NN(C(=O)C[N@H+]3CCc4ccccc4C3)[C@@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000036343286 554221916 /nfs/dbraw/zinc/22/19/16/554221916.db2.gz GAFHCKGYPYIXRJ-HHHXNRCGSA-N 1 2 515.610 4.457 50 0 KIAALO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCc4ccccc4C3)[C@@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000036343286 554221913 /nfs/dbraw/zinc/22/19/13/554221913.db2.gz GAFHCKGYPYIXRJ-HHHXNRCGSA-N 1 2 515.610 4.457 50 0 KIAALO COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)C[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000036343410 554221820 /nfs/dbraw/zinc/22/18/20/554221820.db2.gz XIPNBBPOXGHURN-SANMLTNESA-N 1 2 515.610 4.457 50 0 KIAALO COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)C[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000036343410 554221816 /nfs/dbraw/zinc/22/18/16/554221816.db2.gz XIPNBBPOXGHURN-SANMLTNESA-N 1 2 515.610 4.457 50 0 KIAALO COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)C[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000036343411 554221976 /nfs/dbraw/zinc/22/19/76/554221976.db2.gz XIPNBBPOXGHURN-AREMUKBSSA-N 1 2 515.610 4.457 50 0 KIAALO COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)C[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000036343411 554221971 /nfs/dbraw/zinc/22/19/71/554221971.db2.gz XIPNBBPOXGHURN-AREMUKBSSA-N 1 2 515.610 4.457 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000036343448 554221872 /nfs/dbraw/zinc/22/18/72/554221872.db2.gz SIINNPJIUWHNPK-SANMLTNESA-N 1 2 507.631 4.273 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000036343449 554221960 /nfs/dbraw/zinc/22/19/60/554221960.db2.gz SIINNPJIUWHNPK-AREMUKBSSA-N 1 2 507.631 4.273 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(OCC)cc2)CC1 ZINC000036344046 554222449 /nfs/dbraw/zinc/22/24/49/554222449.db2.gz WVSYBLFCTRSNJN-SANMLTNESA-N 1 2 523.630 4.055 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(OCC)cc2)CC1 ZINC000036344047 554222387 /nfs/dbraw/zinc/22/23/87/554222387.db2.gz WVSYBLFCTRSNJN-AREMUKBSSA-N 1 2 523.630 4.055 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000036344206 554222570 /nfs/dbraw/zinc/22/25/70/554222570.db2.gz RZPGKVJKVXABSF-SANMLTNESA-N 1 2 507.631 4.273 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000036344207 554222660 /nfs/dbraw/zinc/22/26/60/554222660.db2.gz RZPGKVJKVXABSF-AREMUKBSSA-N 1 2 507.631 4.273 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000036344230 554222703 /nfs/dbraw/zinc/22/27/03/554222703.db2.gz NLZBFPQOCDECOJ-DEOSSOPVSA-N 1 2 514.022 4.310 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000036344231 554222610 /nfs/dbraw/zinc/22/26/10/554222610.db2.gz NLZBFPQOCDECOJ-XMMPIXPASA-N 1 2 514.022 4.310 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cc(OC)ccc2OC)CC1 ZINC000036344363 554223028 /nfs/dbraw/zinc/22/30/28/554223028.db2.gz GXWFPPCQQGXMNR-SANMLTNESA-N 1 2 507.631 4.273 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2cc(OC)ccc2OC)CC1 ZINC000036344364 554222993 /nfs/dbraw/zinc/22/29/93/554222993.db2.gz GXWFPPCQQGXMNR-AREMUKBSSA-N 1 2 507.631 4.273 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cc(OC)ccc2OC)CC1 ZINC000036344375 554223045 /nfs/dbraw/zinc/22/30/45/554223045.db2.gz IARHARCJNFMRFF-SANMLTNESA-N 1 2 507.631 4.273 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2cc(OC)ccc2OC)CC1 ZINC000036344376 554223068 /nfs/dbraw/zinc/22/30/68/554223068.db2.gz IARHARCJNFMRFF-AREMUKBSSA-N 1 2 507.631 4.273 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000036344462 554223086 /nfs/dbraw/zinc/22/30/86/554223086.db2.gz UKRJDMJLQSSMDM-SANMLTNESA-N 1 2 507.631 4.273 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000036344463 554223006 /nfs/dbraw/zinc/22/30/06/554223006.db2.gz UKRJDMJLQSSMDM-AREMUKBSSA-N 1 2 507.631 4.273 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(C)cc2C)CC1 ZINC000036345787 554223564 /nfs/dbraw/zinc/22/35/64/554223564.db2.gz ILMXMBGVMYBJJX-SANMLTNESA-N 1 2 507.631 4.273 50 0 KIAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(C)cc2C)CC1 ZINC000036345788 554223738 /nfs/dbraw/zinc/22/37/38/554223738.db2.gz ILMXMBGVMYBJJX-AREMUKBSSA-N 1 2 507.631 4.273 50 0 KIAALO COc1ccc(-n2nc3nc(N4CCN(c5cccc[nH+]5)CC4)nc(-c4cccc(F)c4F)c3c2N)cc1 ZINC000037361436 554235104 /nfs/dbraw/zinc/23/51/04/554235104.db2.gz VFNRRDBZTOZNKG-UHFFFAOYSA-N 1 2 514.540 4.073 50 0 KIAALO Nc1c2c(nn1-c1ccccc1Cl)nc(NCC[NH+]1CCOCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376254 554235470 /nfs/dbraw/zinc/23/54/70/554235470.db2.gz IFTAPKONKLXBPZ-UHFFFAOYSA-N 1 2 502.381 4.255 50 0 KIAALO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCC[NH+]1CCOCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376268 554235430 /nfs/dbraw/zinc/23/54/30/554235430.db2.gz HIEZROVQGGFZTC-UHFFFAOYSA-N 1 2 502.381 4.255 50 0 KIAALO Nc1c2c(nn1-c1cc(F)ccc1F)nc(N1CCN(c3cccc[nH+]3)CC1)nc2-c1cccc(F)c1 ZINC000037376865 554235356 /nfs/dbraw/zinc/23/53/56/554235356.db2.gz QNSNLFDAPLJUNO-UHFFFAOYSA-N 1 2 502.504 4.204 50 0 KIAALO O=C(CCN(Cc1ccccc1)c1nc(-c2ccc(F)cc2)nc2ccccc21)NCC[NH+]1CCOCC1 ZINC000037383344 554238045 /nfs/dbraw/zinc/23/80/45/554238045.db2.gz YLXSPWMQGJPMJP-UHFFFAOYSA-N 1 2 513.617 4.281 50 0 KIAALO CCCN(CCC(=O)NCC[NH+]1CCOCC1)c1nc(-c2cccc(Br)c2)nc2ccccc21 ZINC000037383435 554238302 /nfs/dbraw/zinc/23/83/02/554238302.db2.gz VPXNJQUOKZKXPO-UHFFFAOYSA-N 1 2 526.479 4.114 50 0 KIAALO O=C(CCN(CCc1ccccc1)c1nc(-c2cccs2)nc2ccccc21)NCC[NH+]1CCOCC1 ZINC000037384382 554238460 /nfs/dbraw/zinc/23/84/60/554238460.db2.gz WBKSOPQFFMBYHX-UHFFFAOYSA-N 1 2 515.683 4.246 50 0 KIAALO O=C(CCN(Cc1ccco1)c1nc(-c2ccccc2)nc2cc(Cl)ccc21)NCC[NH+]1CCOCC1 ZINC000037384584 554238380 /nfs/dbraw/zinc/23/83/80/554238380.db2.gz VHCKFZJKUGHIEE-UHFFFAOYSA-N 1 2 520.033 4.388 50 0 KIAALO CC(C)CN(CCC(=O)NCC[NH+]1CCOCC1)c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC000037384650 554238436 /nfs/dbraw/zinc/23/84/36/554238436.db2.gz LBRBHHWOTOJEMI-UHFFFAOYSA-N 1 2 514.045 4.390 50 0 KIAALO O=C(CCN(CCc1ccccc1)c1nc(C2CC2)nc2cc(Cl)ccc21)NCC[NH+]1CCOCC1 ZINC000037384688 554238761 /nfs/dbraw/zinc/23/87/61/554238761.db2.gz LCHUXOUDAQTESJ-UHFFFAOYSA-N 1 2 508.066 4.048 50 0 KIAALO Cc1cc2[nH+]c(Cc3ccc(F)cc3)n([C@H](C(=O)NCCN3CCOCC3)c3ccccc3)c2cc1C ZINC000037396986 554239728 /nfs/dbraw/zinc/23/97/28/554239728.db2.gz ZSVSDYWDZCEKIK-LJAQVGFWSA-N 1 2 500.618 4.421 50 0 KIAALO Cc1cc2[nH+]c(Cc3ccc(F)cc3)n([C@@H](C(=O)NCCN3CCOCC3)c3ccccc3)c2cc1C ZINC000037396987 554239731 /nfs/dbraw/zinc/23/97/31/554239731.db2.gz ZSVSDYWDZCEKIK-GDLZYMKVSA-N 1 2 500.618 4.421 50 0 KIAALO Cc1cc2[nH+]c(Cc3ccc(F)cc3)n(Cc3ccc(C(=O)NCCN4CCOCC4)cc3)c2cc1C ZINC000037397971 554240264 /nfs/dbraw/zinc/24/02/64/554240264.db2.gz MYAILHIJZLEUHB-UHFFFAOYSA-N 1 2 500.618 4.493 50 0 KIAALO Cc1cc2[nH+]c(Cc3ccccc3F)n(Cc3ccc(C(=O)NCCN4CCOCC4)cc3)c2cc1C ZINC000037398671 554240828 /nfs/dbraw/zinc/24/08/28/554240828.db2.gz MNOIAMBVDQWMPB-UHFFFAOYSA-N 1 2 500.618 4.493 50 0 KIAALO CC[NH+]1CCN(C(=O)c2ccc(Cn3c(C)cs/c3=N\C(=O)c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000037436194 554247776 /nfs/dbraw/zinc/24/77/76/554247776.db2.gz OTRZAJHJVTUXKR-RWEWTDSWSA-N 1 2 507.443 4.325 50 0 KIAALO COc1ccccc1NC(=O)N1CC[NH+](CCN2C(=O)CS[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000037436362 554247767 /nfs/dbraw/zinc/24/77/67/554247767.db2.gz ANSAJKDQORVXCE-QFIPXVFZSA-N 1 2 508.566 4.138 50 0 KIAALO COc1ccccc1NC(=O)N1CC[NH+](CCN2C(=O)CS[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000037436365 554247871 /nfs/dbraw/zinc/24/78/71/554247871.db2.gz ANSAJKDQORVXCE-JOCHJYFZSA-N 1 2 508.566 4.138 50 0 KIAALO CC[NH+]1CCN(C(=O)c2ccc(Cn3cc(C)s/c3=N\C(=O)c3ccc(Cl)cc3Cl)o2)CC1 ZINC000037436772 554248139 /nfs/dbraw/zinc/24/81/39/554248139.db2.gz GIZBJXOJAWSNHP-RWEWTDSWSA-N 1 2 507.443 4.325 50 0 KIAALO O=C(NC1CCN(c2ccccc2C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1)c1ccccc1Cl ZINC000037525271 554250623 /nfs/dbraw/zinc/25/06/23/554250623.db2.gz ABWQMDJMAMBVAN-UHFFFAOYSA-N 1 2 504.034 4.096 50 0 KIAALO CN(c1nc(N2CCOCC2)c2c([nH+]1)CCN(C(=O)c1cccc(C(F)(F)F)c1)C2)C1CCCCC1 ZINC000037579892 554252772 /nfs/dbraw/zinc/25/27/72/554252772.db2.gz YSGATTGSHOYQSH-UHFFFAOYSA-N 1 2 503.569 4.299 50 0 KIAALO CN(Cc1ccccc1)c1nc(N2CCOCC2)c2c([nH+]1)CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000037580159 554253037 /nfs/dbraw/zinc/25/30/37/554253037.db2.gz CNLGARPYVIXYIH-UHFFFAOYSA-N 1 2 511.548 4.167 50 0 KIAALO CN(Cc1ccccc1)c1nc(N2CCOCC2)c2c([nH+]1)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000037580530 554253005 /nfs/dbraw/zinc/25/30/05/554253005.db2.gz BKRZHYZLGQUDQL-UHFFFAOYSA-N 1 2 512.441 4.455 50 0 KIAALO O=C(Nc1c(F)cc(F)cc1Br)c1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC000038139878 554261638 /nfs/dbraw/zinc/26/16/38/554261638.db2.gz WUCJYCBCPVIIKB-UHFFFAOYSA-N 1 2 555.376 4.025 50 0 KIAALO Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NCC[NH+]3CCOCC3)C(=O)N21 ZINC000038139951 554261879 /nfs/dbraw/zinc/26/18/79/554261879.db2.gz VYXXYRCQTBQDRW-MFMCTBQISA-N 1 2 563.658 4.021 50 0 biogenic KIAALO Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NCC[NH+]3CCOCC3)C(=O)N21 ZINC000038139952 554261888 /nfs/dbraw/zinc/26/18/88/554261888.db2.gz VYXXYRCQTBQDRW-JDXGNMNLSA-N 1 2 563.658 4.021 50 0 biogenic KIAALO Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC[NH+]4CCOCC4)C(=O)N32)cc1 ZINC000038140045 554262591 /nfs/dbraw/zinc/26/25/91/554262591.db2.gz SQVRJYDIVLDZDD-MFMCTBQISA-N 1 2 563.658 4.021 50 0 biogenic KIAALO Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC[NH+]4CCOCC4)C(=O)N32)cc1 ZINC000038140046 554262496 /nfs/dbraw/zinc/26/24/96/554262496.db2.gz SQVRJYDIVLDZDD-JDXGNMNLSA-N 1 2 563.658 4.021 50 0 biogenic KIAALO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)c1ccc(Br)cc1 ZINC000038140777 554264179 /nfs/dbraw/zinc/26/41/79/554264179.db2.gz MDLXVKUVUOTCHM-FQEVSTJZSA-N 1 2 542.499 4.447 50 0 KIAALO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)c1ccc(Br)cc1 ZINC000038140778 554264198 /nfs/dbraw/zinc/26/41/98/554264198.db2.gz MDLXVKUVUOTCHM-HXUWFJFHSA-N 1 2 542.499 4.447 50 0 KIAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5[nH]3)CCCC4)c2)CC1 ZINC000038146217 554269919 /nfs/dbraw/zinc/26/99/19/554269919.db2.gz RFDFWTKAKKRZEK-UHFFFAOYSA-N 1 2 535.695 4.359 50 0 KIAALO COC(=O)c1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)c3ccccc32)cc1 ZINC000038148302 554270439 /nfs/dbraw/zinc/27/04/39/554270439.db2.gz XQTODUUPIVVDBI-UHFFFAOYSA-N 1 2 531.638 4.072 50 0 KIAALO C[NH+]1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2ccc(Br)cc2)C[C@@H]3C(F)(F)F)CC1 ZINC000038177107 554273966 /nfs/dbraw/zinc/27/39/66/554273966.db2.gz TWUHICDINIFVDN-UONOGXRCSA-N 1 2 506.754 4.347 50 0 KIAALO C[NH+]1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2ccc(Br)cc2)C[C@@H]3C(F)(F)F)CC1 ZINC000038177108 554273913 /nfs/dbraw/zinc/27/39/13/554273913.db2.gz TWUHICDINIFVDN-ZIAGYGMSSA-N 1 2 506.754 4.347 50 0 KIAALO C[NH+]1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2ccc(Br)cc2)C[C@H]3C(F)(F)F)CC1 ZINC000038177109 554274013 /nfs/dbraw/zinc/27/40/13/554274013.db2.gz TWUHICDINIFVDN-KBPBESRZSA-N 1 2 506.754 4.347 50 0 KIAALO C[NH+]1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2ccc(Br)cc2)C[C@H]3C(F)(F)F)CC1 ZINC000038177110 554273896 /nfs/dbraw/zinc/27/38/96/554273896.db2.gz TWUHICDINIFVDN-KGLIPLIRSA-N 1 2 506.754 4.347 50 0 KIAALO O=C(CCN(Cc1ccco1)c1nc(-c2ccccc2Cl)nc2ccccc21)NCC[NH+]1CCOCC1 ZINC000040355060 554283113 /nfs/dbraw/zinc/28/31/13/554283113.db2.gz VXNWKFWHMNVDJX-UHFFFAOYSA-N 1 2 520.033 4.388 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043727088 554298922 /nfs/dbraw/zinc/29/89/22/554298922.db2.gz RLQHABLVGWKXFM-QYOOZWMWSA-N 1 2 513.981 4.498 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043727088 554298916 /nfs/dbraw/zinc/29/89/16/554298916.db2.gz RLQHABLVGWKXFM-QYOOZWMWSA-N 1 2 513.981 4.498 50 0 KIAALO COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000045796242 554311195 /nfs/dbraw/zinc/31/11/95/554311195.db2.gz CYZJZSDZHRRLFY-VAVYLYDRSA-N 1 2 526.637 4.196 50 0 KIAALO COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000045796243 554311214 /nfs/dbraw/zinc/31/12/14/554311214.db2.gz CYZJZSDZHRRLFY-IRPSRAIASA-N 1 2 526.637 4.196 50 0 KIAALO COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000045796244 554311592 /nfs/dbraw/zinc/31/15/92/554311592.db2.gz CYZJZSDZHRRLFY-ABYGYWHVSA-N 1 2 526.637 4.196 50 0 KIAALO COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000045796245 554311575 /nfs/dbraw/zinc/31/15/75/554311575.db2.gz CYZJZSDZHRRLFY-SVEHJYQDSA-N 1 2 526.637 4.196 50 0 KIAALO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)c(OCC(=O)N3CCC(Cc4ccccc4)CC3)co1)CC2 ZINC000049543646 554323701 /nfs/dbraw/zinc/32/37/01/554323701.db2.gz FGMJPJRQVUSKMW-UHFFFAOYSA-N 1 2 532.637 4.075 50 0 biogenic KIAALO COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)c(OCC(=O)N3CCC(Cc4ccccc4)CC3)co1)CC2 ZINC000049543646 554323699 /nfs/dbraw/zinc/32/36/99/554323699.db2.gz FGMJPJRQVUSKMW-UHFFFAOYSA-N 1 2 532.637 4.075 50 0 biogenic KIAALO COc1ccc(-c2nc(CSCC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(C)o2)cc1 ZINC000049673004 554324479 /nfs/dbraw/zinc/32/44/79/554324479.db2.gz NZLQTDYMSDTALX-UHFFFAOYSA-N 1 2 515.079 4.484 50 0 KIAALO COc1ccccc1-n1c(=O)c2sc(=S)n(Cc3ccccc3)c2nc1SCC[NH+]1CCOCC1 ZINC000053253718 554330385 /nfs/dbraw/zinc/33/03/85/554330385.db2.gz AOWGASPELWEQTD-UHFFFAOYSA-N 1 2 526.709 4.459 50 0 KIAALO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c12 ZINC000053362773 554345573 /nfs/dbraw/zinc/34/55/73/554345573.db2.gz GGMATYYFJYZKDI-UHFFFAOYSA-N 1 2 550.084 4.325 50 0 KIAALO O=S(=O)(c1ccc2c(c1)n(CN1CCc3ccccc3C1)c(=S)n2C[N@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000053389460 554348392 /nfs/dbraw/zinc/34/83/92/554348392.db2.gz PXKGBBRBIJZVAG-UHFFFAOYSA-N 1 2 589.787 4.225 50 0 KIAALO O=S(=O)(c1ccc2c(c1)n(CN1CCc3ccccc3C1)c(=S)n2C[N@@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000053389460 554348389 /nfs/dbraw/zinc/34/83/89/554348389.db2.gz PXKGBBRBIJZVAG-UHFFFAOYSA-N 1 2 589.787 4.225 50 0 KIAALO C[NH+]1CCN(C(=O)c2nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c2Cl)CC1 ZINC000055250694 554350626 /nfs/dbraw/zinc/35/06/26/554350626.db2.gz KVMGTIZKUHGYEG-UHFFFAOYSA-N 1 2 502.722 4.219 50 0 KIAALO Cc1cc(C)cc(S(=O)(=O)c2cn(C)c3cc(N4CC[NH+](Cc5ccccc5)CC4)c(F)cc3c2=O)c1 ZINC000055414610 554350760 /nfs/dbraw/zinc/35/07/60/554350760.db2.gz HSROZIUWSIPLGC-UHFFFAOYSA-N 1 2 519.642 4.449 50 0 KIAALO Cn1c2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000057010846 554351683 /nfs/dbraw/zinc/35/16/83/554351683.db2.gz WNEMRMSZWZFTBJ-UHFFFAOYSA-N 1 2 514.029 4.338 50 0 KIAALO Cn1c2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000057010864 554351628 /nfs/dbraw/zinc/35/16/28/554351628.db2.gz DMNRGBYFVGNSKP-UHFFFAOYSA-N 1 2 514.029 4.338 50 0 KIAALO Cc1ccc(C)c(Cn2c(C[NH+](Cc3ccccc3)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000057010869 554351698 /nfs/dbraw/zinc/35/16/98/554351698.db2.gz VVPHJMVIAVGLPE-UHFFFAOYSA-N 1 2 507.638 4.301 50 0 KIAALO Cn1c2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000057010906 554351609 /nfs/dbraw/zinc/35/16/09/554351609.db2.gz ZKWBQWVXJUJFQZ-UHFFFAOYSA-N 1 2 514.029 4.338 50 0 KIAALO Cn1c2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000057010979 554351996 /nfs/dbraw/zinc/35/19/96/554351996.db2.gz OQMOVHZDQUNLRW-UHFFFAOYSA-N 1 2 507.638 4.269 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000057050657 554352044 /nfs/dbraw/zinc/35/20/44/554352044.db2.gz MHVQPJPXVNOGKR-UHFFFAOYSA-N 1 2 505.800 4.131 50 0 KIAALO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057050842 554352014 /nfs/dbraw/zinc/35/20/14/554352014.db2.gz AYWAJZSJVAQTDJ-UHFFFAOYSA-N 1 2 504.509 4.133 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057054322 554351934 /nfs/dbraw/zinc/35/19/34/554351934.db2.gz JAQHSAVHRQVVJS-AWEZNQCLSA-N 1 2 503.372 4.005 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057054325 554352108 /nfs/dbraw/zinc/35/21/08/554352108.db2.gz JAQHSAVHRQVVJS-CQSZACIVSA-N 1 2 503.372 4.005 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057058825 554352370 /nfs/dbraw/zinc/35/23/70/554352370.db2.gz UZEUOYXNFKLWQR-KRWDZBQOSA-N 1 2 513.436 4.483 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057058827 554352392 /nfs/dbraw/zinc/35/23/92/554352392.db2.gz UZEUOYXNFKLWQR-QGZVFWFLSA-N 1 2 513.436 4.483 50 0 KIAALO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057063814 554352328 /nfs/dbraw/zinc/35/23/28/554352328.db2.gz SIGLWQRXXJIHEU-QGZVFWFLSA-N 1 2 529.037 4.473 50 0 KIAALO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057063816 554352377 /nfs/dbraw/zinc/35/23/77/554352377.db2.gz SIGLWQRXXJIHEU-KRWDZBQOSA-N 1 2 529.037 4.473 50 0 KIAALO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[NH+]3CCN(c4cc(Cl)ccc4C)CC3)c21 ZINC000057063832 554352400 /nfs/dbraw/zinc/35/24/00/554352400.db2.gz WQLMBXXBZPLLJK-UHFFFAOYSA-N 1 2 513.038 4.395 50 0 KIAALO O=C(c1ccccc1Cl)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(F)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000057122039 554352689 /nfs/dbraw/zinc/35/26/89/554352689.db2.gz MZEWVRBADSHBSF-WLGONLEPSA-N 1 2 501.945 4.494 50 0 KIAALO O=C(c1ccccc1Cl)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(F)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000057122039 554352686 /nfs/dbraw/zinc/35/26/86/554352686.db2.gz MZEWVRBADSHBSF-WLGONLEPSA-N 1 2 501.945 4.494 50 0 KIAALO COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000057316924 554355619 /nfs/dbraw/zinc/35/56/19/554355619.db2.gz FUHCEERDBRGPQZ-LEAFIULHSA-N 1 2 514.601 4.326 50 0 biogenic,in-vitro KIAALO COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000057316926 554355994 /nfs/dbraw/zinc/35/59/94/554355994.db2.gz FUHCEERDBRGPQZ-NAKRPHOHSA-N 1 2 514.601 4.326 50 0 biogenic KIAALO COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000057316927 554355951 /nfs/dbraw/zinc/35/59/51/554355951.db2.gz FUHCEERDBRGPQZ-LBNVMWSVSA-N 1 2 514.601 4.326 50 0 biogenic,in-vitro KIAALO COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000057316928 554355918 /nfs/dbraw/zinc/35/59/18/554355918.db2.gz FUHCEERDBRGPQZ-LSYYVWMOSA-N 1 2 514.601 4.326 50 0 biogenic,in-vitro KIAALO COc1c(NC(=O)C(=O)c2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000058540931 554364644 /nfs/dbraw/zinc/36/46/44/554364644.db2.gz UUROSJLZNDSXRF-UHFFFAOYSA-N 1 2 583.707 4.050 50 0 investigational KIAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc1)[N@@H+](C)CC3)OCO2 ZINC000059101419 554377823 /nfs/dbraw/zinc/37/78/23/554377823.db2.gz AJIHELULZLWJBU-MUUNZHRXSA-N 1 2 566.662 4.072 50 0 biogenic KIAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc1)[N@H+](C)CC3)OCO2 ZINC000059101419 554377822 /nfs/dbraw/zinc/37/78/22/554377822.db2.gz AJIHELULZLWJBU-MUUNZHRXSA-N 1 2 566.662 4.072 50 0 biogenic KIAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc1)[N@@H+](C)CC3)OCO2 ZINC000059101422 554377820 /nfs/dbraw/zinc/37/78/20/554377820.db2.gz AJIHELULZLWJBU-NDEPHWFRSA-N 1 2 566.662 4.072 50 0 biogenic KIAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc1)[N@H+](C)CC3)OCO2 ZINC000059101422 554377819 /nfs/dbraw/zinc/37/78/19/554377819.db2.gz AJIHELULZLWJBU-NDEPHWFRSA-N 1 2 566.662 4.072 50 0 biogenic KIAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCC(Cc5ccccc5)CC4)c1)[N@@H+](C)CC3)OCO2 ZINC000059101881 554378200 /nfs/dbraw/zinc/37/82/00/554378200.db2.gz UTVMQXYIKIVZJJ-MUUNZHRXSA-N 1 2 566.662 4.072 50 0 biogenic KIAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCC(Cc5ccccc5)CC4)c1)[N@H+](C)CC3)OCO2 ZINC000059101881 554378195 /nfs/dbraw/zinc/37/81/95/554378195.db2.gz UTVMQXYIKIVZJJ-MUUNZHRXSA-N 1 2 566.662 4.072 50 0 biogenic KIAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCC(Cc5ccccc5)CC4)c1)[N@@H+](C)CC3)OCO2 ZINC000059101884 554378077 /nfs/dbraw/zinc/37/80/77/554378077.db2.gz UTVMQXYIKIVZJJ-NDEPHWFRSA-N 1 2 566.662 4.072 50 0 biogenic KIAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCC(Cc5ccccc5)CC4)c1)[N@H+](C)CC3)OCO2 ZINC000059101884 554378073 /nfs/dbraw/zinc/37/80/73/554378073.db2.gz UTVMQXYIKIVZJJ-NDEPHWFRSA-N 1 2 566.662 4.072 50 0 biogenic KIAALO Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)CC3)cs2)cc1C ZINC000059211784 554385393 /nfs/dbraw/zinc/38/53/93/554385393.db2.gz NQTMFXGYDWMEOY-UHFFFAOYSA-N 1 2 561.708 4.429 50 0 KIAALO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000059485870 554398226 /nfs/dbraw/zinc/39/82/26/554398226.db2.gz RPTAQXNILUAFLR-MHPNLKRKSA-N 1 2 513.981 4.363 50 0 biogenic KIAALO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000059485870 554398224 /nfs/dbraw/zinc/39/82/24/554398224.db2.gz RPTAQXNILUAFLR-MHPNLKRKSA-N 1 2 513.981 4.363 50 0 biogenic KIAALO COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000059513971 554401045 /nfs/dbraw/zinc/40/10/45/554401045.db2.gz UFLUIAKPNQCDGV-PDDLMNHVSA-N 1 2 545.611 4.392 50 0 KIAALO COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000059513973 554401077 /nfs/dbraw/zinc/40/10/77/554401077.db2.gz UFLUIAKPNQCDGV-VIZCGCQYSA-N 1 2 545.611 4.392 50 0 KIAALO COc1ccc(N2C(=O)CC[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000059513975 554401086 /nfs/dbraw/zinc/40/10/86/554401086.db2.gz UFLUIAKPNQCDGV-FREGXXQWSA-N 1 2 545.611 4.392 50 0 KIAALO COc1ccc(N2C(=O)CC[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000059513976 554401068 /nfs/dbraw/zinc/40/10/68/554401068.db2.gz UFLUIAKPNQCDGV-YZNIXAGQSA-N 1 2 545.611 4.392 50 0 KIAALO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000059522682 554403759 /nfs/dbraw/zinc/40/37/59/554403759.db2.gz MBRUWZOETJLJNX-UHFFFAOYSA-N 1 2 537.705 4.333 50 0 KIAALO O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000059646153 554417165 /nfs/dbraw/zinc/41/71/65/554417165.db2.gz CXNGCKNXDDZYMW-UHFFFAOYSA-N 1 2 562.475 4.262 50 0 KIAALO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2cccc(Br)c2)cc1 ZINC000059651579 554418814 /nfs/dbraw/zinc/41/88/14/554418814.db2.gz XKHHPPGXZMWWFU-UHFFFAOYSA-N 1 2 586.508 4.026 50 0 KIAALO O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000059771676 554428655 /nfs/dbraw/zinc/42/86/55/554428655.db2.gz CUFZTGIFQYFBBS-UHFFFAOYSA-N 1 2 544.706 4.381 50 0 KIAALO C[NH+]1CCN(C(=O)c2nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c2Br)CC1 ZINC000059780164 554429371 /nfs/dbraw/zinc/42/93/71/554429371.db2.gz RBMIAGCMMUKOLZ-UHFFFAOYSA-N 1 2 547.173 4.328 50 0 KIAALO COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc(Br)c1O ZINC000059873797 554456644 /nfs/dbraw/zinc/45/66/44/554456644.db2.gz KNBXVUYWALQONW-OAQYLSRUSA-N 1 2 563.832 4.191 50 0 KIAALO COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc(Br)c1O ZINC000059873799 554456686 /nfs/dbraw/zinc/45/66/86/554456686.db2.gz KNBXVUYWALQONW-NRFANRHFSA-N 1 2 563.832 4.191 50 0 KIAALO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000061949599 554505931 /nfs/dbraw/zinc/50/59/31/554505931.db2.gz KQPNQCGKVHJPPE-HNNXBMFYSA-N 1 2 504.509 4.131 50 0 KIAALO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000061949602 554505745 /nfs/dbraw/zinc/50/57/45/554505745.db2.gz KQPNQCGKVHJPPE-OAHLLOKOSA-N 1 2 504.509 4.131 50 0 KIAALO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000061999302 554506131 /nfs/dbraw/zinc/50/61/31/554506131.db2.gz HDMMYCNPMPWBAT-RBKKCSANSA-N 1 2 513.981 4.363 50 0 biogenic KIAALO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000061999302 554506129 /nfs/dbraw/zinc/50/61/29/554506129.db2.gz HDMMYCNPMPWBAT-RBKKCSANSA-N 1 2 513.981 4.363 50 0 biogenic KIAALO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000062626228 554507714 /nfs/dbraw/zinc/50/77/14/554507714.db2.gz DVXVFPHRPWFJFK-UHFFFAOYSA-N 1 2 501.624 4.394 50 0 KIAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000063426898 554508846 /nfs/dbraw/zinc/50/88/46/554508846.db2.gz JSRFPTSOIDFJMN-UHFFFAOYSA-N 1 2 509.606 4.473 50 0 KIAALO Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000063467917 554509291 /nfs/dbraw/zinc/50/92/91/554509291.db2.gz SSIMOVXIIHOTAQ-UHFFFAOYSA-N 1 2 515.633 4.299 50 0 KIAALO COc1ccc(-c2nn(C)c3sc(C(=O)NCC[NH+]4CCN(c5ccccc5F)CC4)cc23)cc1OC ZINC000063479214 554509169 /nfs/dbraw/zinc/50/91/69/554509169.db2.gz SZBMHDVIXMIPQA-UHFFFAOYSA-N 1 2 523.634 4.010 50 0 KIAALO O=S(=O)(c1nnn2c1nc(N1CC[NH+](Cc3ccccc3)CC1)c1cc(Cl)ccc12)c1ccccc1 ZINC000063493679 554509628 /nfs/dbraw/zinc/50/96/28/554509628.db2.gz AXQAQDXOMJJYGK-UHFFFAOYSA-N 1 2 519.030 4.086 50 0 KIAALO O=C(CCSCc1cnn(-c2ccccc2)c1-n1cccc1)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000063506238 554509596 /nfs/dbraw/zinc/50/95/96/554509596.db2.gz VSXWOSMYCCHNET-UHFFFAOYSA-N 1 2 532.689 4.364 50 0 KIAALO CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CC[NH+](Cc5ccccc5)CC4)nc23)cc1 ZINC000063552092 554509778 /nfs/dbraw/zinc/50/97/78/554509778.db2.gz PYANGIMPYZTDRI-UHFFFAOYSA-N 1 2 518.668 4.056 50 0 KIAALO Cc1ccc(C)c(S(=O)(=O)c2nnn3c4ccsc4c(N4CC[NH+](Cc5ccccc5)CC4)nc23)c1 ZINC000063552093 554509582 /nfs/dbraw/zinc/50/95/82/554509582.db2.gz BUNJMVCKFFQYPF-UHFFFAOYSA-N 1 2 518.668 4.111 50 0 KIAALO Cc1cccc(S(=O)(=O)c2cn(C)c3cc(N4CC[NH+](Cc5ccccc5)CC4)c(F)cc3c2=O)c1 ZINC000063552646 554509588 /nfs/dbraw/zinc/50/95/88/554509588.db2.gz IWIKQXFKTBROQR-UHFFFAOYSA-N 1 2 505.615 4.141 50 0 KIAALO O=C1c2ccccc2C(=O)N1CN1CCC(CCCC2CC[NH+](CN3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000063607890 554510196 /nfs/dbraw/zinc/51/01/96/554510196.db2.gz OMFFGPOWRKDUJU-UHFFFAOYSA-N 1 2 528.653 4.088 50 0 KIAALO CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000066136362 554529205 /nfs/dbraw/zinc/52/92/05/554529205.db2.gz GGIWODNVLZJOOT-UHFFFAOYSA-N 1 2 529.609 4.067 50 0 KIAALO Cc1cnc(Nc2cccc(C[NH+]3CCOCC3)c2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000067176020 554529760 /nfs/dbraw/zinc/52/97/60/554529760.db2.gz OOSKXASFJFSOBK-UHFFFAOYSA-N 1 2 510.664 4.181 50 0 KIAALO COc1ccc2[nH]c3c(c2c1)C[C@@H](C(=O)[O-])[NH2+][C@H]3c1ccc(OC)c(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000070670069 553600121 /nfs/dbraw/zinc/60/01/21/553600121.db2.gz GFTRKORPQBYKDZ-WNJJXGMVSA-N 1 2 544.627 4.335 50 0 biogenic KIAALO COc1ccc2[nH]c3c(c2c1)C[C@@H](C(=O)[O-])[NH2+][C@@H]3c1ccc(OC)c(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000070670070 553600127 /nfs/dbraw/zinc/60/01/27/553600127.db2.gz GFTRKORPQBYKDZ-LITSAYRRSA-N 1 2 544.627 4.335 50 0 biogenic KIAALO COc1ccc2[nH]c3c(c2c1)C[C@H](C(=O)[O-])[NH2+][C@H]3c1ccc(OC)c(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000070670071 553600101 /nfs/dbraw/zinc/60/01/01/553600101.db2.gz GFTRKORPQBYKDZ-UHSQPCAPSA-N 1 2 544.627 4.335 50 0 biogenic KIAALO COc1ccc2[nH]c3c(c2c1)C[C@H](C(=O)[O-])[NH2+][C@@H]3c1ccc(OC)c(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000070670072 553600091 /nfs/dbraw/zinc/60/00/91/553600091.db2.gz GFTRKORPQBYKDZ-GGXMVOPNSA-N 1 2 544.627 4.335 50 0 biogenic KIAALO COc1cc([C@@H]2CN3C(=O)CN(CCCn4cc[nH+]c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000070691938 553608819 /nfs/dbraw/zinc/60/88/19/553608819.db2.gz FLAMVUQPFMKTIF-FWUCURJTSA-N 1 2 541.652 4.282 50 0 biogenic KIAALO COc1cc([C@H]2CN3C(=O)CN(CCCn4cc[nH+]c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000070691939 553608753 /nfs/dbraw/zinc/60/87/53/553608753.db2.gz FLAMVUQPFMKTIF-IPBJYNAHSA-N 1 2 541.652 4.282 50 0 biogenic KIAALO CCCOc1ccc([C@@H]2CN3C(=O)CN(CCCn4cc[nH+]c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070697593 553612979 /nfs/dbraw/zinc/61/29/79/553612979.db2.gz ZVFNUBCOQFTFTB-FWUCURJTSA-N 1 2 541.652 4.284 50 0 biogenic KIAALO CCCOc1ccc([C@H]2CN3C(=O)CN(CCCn4cc[nH+]c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070697595 553613005 /nfs/dbraw/zinc/61/30/05/553613005.db2.gz ZVFNUBCOQFTFTB-IPBJYNAHSA-N 1 2 541.652 4.284 50 0 biogenic KIAALO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000070700851 553619688 /nfs/dbraw/zinc/61/96/88/553619688.db2.gz KNDDKRUBELVLKA-SFYJVUIZSA-N 1 2 544.007 4.372 50 0 biogenic KIAALO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000070700851 553619683 /nfs/dbraw/zinc/61/96/83/553619683.db2.gz KNDDKRUBELVLKA-SFYJVUIZSA-N 1 2 544.007 4.372 50 0 biogenic KIAALO Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NCC[NH+]5CCOCC5)cc4)C(=O)N32)cc1 ZINC000070704755 553623493 /nfs/dbraw/zinc/62/34/93/553623493.db2.gz CZZADGMHIWBXEN-MFMCTBQISA-N 1 2 563.658 4.021 50 0 biogenic KIAALO Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NCC[NH+]5CCOCC5)cc4)C(=O)N32)cc1 ZINC000070704760 553623609 /nfs/dbraw/zinc/62/36/09/553623609.db2.gz CZZADGMHIWBXEN-JDXGNMNLSA-N 1 2 563.658 4.021 50 0 biogenic KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000070705756 553626338 /nfs/dbraw/zinc/62/63/38/553626338.db2.gz FBXPYRVZIYTUAF-BHUDRIAESA-N 1 2 574.033 4.380 50 0 biogenic KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000070705756 553626336 /nfs/dbraw/zinc/62/63/36/553626336.db2.gz FBXPYRVZIYTUAF-BHUDRIAESA-N 1 2 574.033 4.380 50 0 biogenic KIAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O ZINC000070706287 553627675 /nfs/dbraw/zinc/62/76/75/553627675.db2.gz ZOFSAWFONSYPLM-YTMVLYRLSA-N 1 2 584.076 4.366 50 0 biogenic KIAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O ZINC000070706290 553627690 /nfs/dbraw/zinc/62/76/90/553627690.db2.gz ZOFSAWFONSYPLM-LMSSTIIKSA-N 1 2 584.076 4.366 50 0 biogenic KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000070706466 553627995 /nfs/dbraw/zinc/62/79/95/553627995.db2.gz GNVOSTVXFDIHMN-JZMUPVMCSA-N 1 2 574.033 4.380 50 0 biogenic KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000070706466 553627992 /nfs/dbraw/zinc/62/79/92/553627992.db2.gz GNVOSTVXFDIHMN-JZMUPVMCSA-N 1 2 574.033 4.380 50 0 biogenic KIAALO C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000071319082 553634963 /nfs/dbraw/zinc/63/49/63/553634963.db2.gz QVPQOJFJSHPFCK-DCFHFQCYSA-N 1 2 533.673 4.095 50 0 KIAALO C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000071319083 553634991 /nfs/dbraw/zinc/63/49/91/553634991.db2.gz QVPQOJFJSHPFCK-HRFSGMKKSA-N 1 2 533.673 4.095 50 0 KIAALO C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000071319084 553634953 /nfs/dbraw/zinc/63/49/53/553634953.db2.gz QVPQOJFJSHPFCK-CCLHPLFOSA-N 1 2 533.673 4.095 50 0 KIAALO C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000071319085 553634920 /nfs/dbraw/zinc/63/49/20/553634920.db2.gz QVPQOJFJSHPFCK-NFQMXDRXSA-N 1 2 533.673 4.095 50 0 KIAALO O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000071775267 553637133 /nfs/dbraw/zinc/63/71/33/553637133.db2.gz WOLOMOMCYMCZNT-HXUWFJFHSA-N 1 2 501.599 4.427 50 0 KIAALO O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000071775268 553637054 /nfs/dbraw/zinc/63/70/54/553637054.db2.gz WOLOMOMCYMCZNT-FQEVSTJZSA-N 1 2 501.599 4.427 50 0 KIAALO O=S(=O)(c1cccc(F)c1)c1cnc2c(F)cccc2c1N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000071775269 553637139 /nfs/dbraw/zinc/63/71/39/553637139.db2.gz ZXCBTZIBWKXIHZ-HXUWFJFHSA-N 1 2 501.599 4.427 50 0 KIAALO O=S(=O)(c1cccc(F)c1)c1cnc2c(F)cccc2c1N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000071775270 553637050 /nfs/dbraw/zinc/63/70/50/553637050.db2.gz ZXCBTZIBWKXIHZ-FQEVSTJZSA-N 1 2 501.599 4.427 50 0 KIAALO O=S(=O)(c1cccc(F)c1)c1cnc2cc(F)ccc2c1N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000071775307 553637120 /nfs/dbraw/zinc/63/71/20/553637120.db2.gz NATYSFXYZDSGAB-OAQYLSRUSA-N 1 2 501.599 4.427 50 0 KIAALO O=S(=O)(c1cccc(F)c1)c1cnc2cc(F)ccc2c1N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000071775308 553637124 /nfs/dbraw/zinc/63/71/24/553637124.db2.gz NATYSFXYZDSGAB-NRFANRHFSA-N 1 2 501.599 4.427 50 0 KIAALO C[C@H](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325845 553648480 /nfs/dbraw/zinc/64/84/80/553648480.db2.gz MMIWNBJETSSLKG-VTRYNRAYSA-N 1 2 553.788 4.108 50 0 biogenic KIAALO CCn1c2ccc(S(=O)(=O)Nc3cc(OC)c(OC)cc3Cc3[nH+]ccc4cc(OC)c(OC)cc43)cc2c(=O)n(CC)c1=O ZINC000079210340 553670449 /nfs/dbraw/zinc/67/04/49/553670449.db2.gz JYCXKNSAZAEWJS-UHFFFAOYSA-N 1 2 634.711 4.177 50 0 biogenic KIAALO CCn1c(C[NH2+]Cc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000096021679 553717447 /nfs/dbraw/zinc/71/74/47/553717447.db2.gz BWYCGAFAHVJMNE-UHFFFAOYSA-N 1 2 627.837 4.065 50 0 KIAALO COc1ccc([C@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)cc1 ZINC000096114137 553724724 /nfs/dbraw/zinc/72/47/24/553724724.db2.gz TXKZUJIIUCKVPK-QFIPXVFZSA-N 1 2 514.578 4.176 50 0 biogenic KIAALO COc1ccc([C@@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)cc1 ZINC000096114138 553724696 /nfs/dbraw/zinc/72/46/96/553724696.db2.gz TXKZUJIIUCKVPK-JOCHJYFZSA-N 1 2 514.578 4.176 50 0 biogenic KIAALO COc1cccc([C@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)c1 ZINC000096115821 553726577 /nfs/dbraw/zinc/72/65/77/553726577.db2.gz CRFWVDMERVFMSJ-QFIPXVFZSA-N 1 2 514.578 4.176 50 0 biogenic KIAALO COc1cccc([C@@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)c1 ZINC000096115822 553726527 /nfs/dbraw/zinc/72/65/27/553726527.db2.gz CRFWVDMERVFMSJ-JOCHJYFZSA-N 1 2 514.578 4.176 50 0 biogenic KIAALO Cc1ccc(C(=O)Nc2ccc3c(cc(C(=O)NCC[NH+]4CCOCC4)n3Cc3ccc(F)cc3)c2)cc1 ZINC000096275202 553732275 /nfs/dbraw/zinc/73/22/75/553732275.db2.gz HFADJGBDPGKSLT-UHFFFAOYSA-N 1 2 514.601 4.451 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)c1cc2cc(NC(=O)c3ccccc3F)ccc2n1Cc1ccccc1 ZINC000096275204 553732273 /nfs/dbraw/zinc/73/22/73/553732273.db2.gz UXGGFKRHPVWPPE-UHFFFAOYSA-N 1 2 500.574 4.143 50 0 KIAALO Cc1ccc(C)c(Cn2c(C(=O)NCC[NH+]3CCOCC3)cc3cc(NC(=O)c4ccco4)ccc32)c1 ZINC000096275210 553732248 /nfs/dbraw/zinc/73/22/48/553732248.db2.gz ZNHBTUXEESSRNB-UHFFFAOYSA-N 1 2 500.599 4.214 50 0 KIAALO Cc1cccc(Cn2c(C(=O)NCC[NH+]3CCOCC3)cc3cc(NC(=O)c4ccc(F)cc4)ccc32)c1 ZINC000096275254 553732260 /nfs/dbraw/zinc/73/22/60/553732260.db2.gz QFZZTSXXUIARSB-UHFFFAOYSA-N 1 2 514.601 4.451 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)c1cc2cc(NC(=O)c3ccccc3F)ccc2n1Cc1ccccc1F ZINC000096275266 553732258 /nfs/dbraw/zinc/73/22/58/553732258.db2.gz UNQUTONBTYTRLG-UHFFFAOYSA-N 1 2 518.564 4.282 50 0 KIAALO CCCn1c(C(=O)NCC[NH+]2CCOCC2)cc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000096276401 553733295 /nfs/dbraw/zinc/73/32/95/553733295.db2.gz YNBGWLXAZPOPRG-UHFFFAOYSA-N 1 2 526.703 4.212 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)c1cc2cc(NC(=O)c3ccccc3F)ccc2n1Cc1ccc(F)cc1 ZINC000096276510 553733305 /nfs/dbraw/zinc/73/33/05/553733305.db2.gz AVLFVGJYMLFTDK-UHFFFAOYSA-N 1 2 518.564 4.282 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)c1cc2cc(NC(=O)c3cccc(F)c3)ccc2n1Cc1ccc(F)cc1 ZINC000096276548 553733341 /nfs/dbraw/zinc/73/33/41/553733341.db2.gz KEVKCRZVDDNJTR-UHFFFAOYSA-N 1 2 518.564 4.282 50 0 KIAALO Cc1cccc(Cn2c(C(=O)NCC[NH+]3CCOCC3)cc3cc(NC(=O)c4ccccc4F)ccc32)c1 ZINC000096276578 553733521 /nfs/dbraw/zinc/73/35/21/553733521.db2.gz UOXCXGUAKRKCQT-UHFFFAOYSA-N 1 2 514.601 4.451 50 0 KIAALO Cc1ccc(C(=O)Nc2ccc3c(cc(C(=O)NCC[NH+]4CCOCC4)n3Cc3cccc(F)c3)c2)cc1 ZINC000096276591 553733485 /nfs/dbraw/zinc/73/34/85/553733485.db2.gz HHKAQRIFPORMHL-UHFFFAOYSA-N 1 2 514.601 4.451 50 0 KIAALO O=C(CCc1ccccc1)Nc1ccc2c(cc(C(=O)NCC[NH+]3CCOCC3)n2Cc2cccc(F)c2)c1 ZINC000096276795 553733481 /nfs/dbraw/zinc/73/34/81/553733481.db2.gz ILAPXBFVZOAABM-UHFFFAOYSA-N 1 2 528.628 4.462 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)c1cc2cc(NC(=O)c3ccc(F)cc3)ccc2n1Cc1cccc(F)c1 ZINC000096276813 553733799 /nfs/dbraw/zinc/73/37/99/553733799.db2.gz GYSLCXCBGCGLHM-UHFFFAOYSA-N 1 2 518.564 4.282 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)c1cc2cc(NC(=O)c3cccc(F)c3)ccc2n1Cc1ccccc1 ZINC000096278508 553735161 /nfs/dbraw/zinc/73/51/61/553735161.db2.gz ISAYBCFXIWWUAA-UHFFFAOYSA-N 1 2 500.574 4.143 50 0 KIAALO Cc1ccc(C(=O)Nc2ccc3c(cc(C(=O)NCC[NH+]4CCOCC4)n3Cc3ccccc3F)c2)cc1 ZINC000096278512 553735129 /nfs/dbraw/zinc/73/51/29/553735129.db2.gz GFZNLOQMIBLEBN-UHFFFAOYSA-N 1 2 514.601 4.451 50 0 KIAALO Cc1[nH+]c(SCc2ccc(C(=O)N3CCOCC3)cc2)nc(N2CCN(c3ccccc3F)CC2)c1C ZINC000096279921 553736552 /nfs/dbraw/zinc/73/65/52/553736552.db2.gz BPHKMLLYTLMEOU-UHFFFAOYSA-N 1 2 521.662 4.324 50 0 KIAALO O=C(c1cccc(F)c1)N1CCc2[nH+]c(N3CCN(c4ccccc4)CC3)nc(N3CCCCC3)c2C1 ZINC000096280936 553736875 /nfs/dbraw/zinc/73/68/75/553736875.db2.gz WVWYAXBEPRGSBC-UHFFFAOYSA-N 1 2 500.622 4.131 50 0 KIAALO COc1cccc(C(=O)N2CCc3[nH+]c(N4CCN(c5ccccc5)CC4)nc(N4CCCCC4)c3C2)c1 ZINC000096280937 553736891 /nfs/dbraw/zinc/73/68/91/553736891.db2.gz UVVFPIXNXSAVDM-UHFFFAOYSA-N 1 2 512.658 4.001 50 0 KIAALO O=C(c1ccc(F)cc1F)N1CCc2[nH+]c(N3CCN(c4ccccc4)CC3)nc(N3CCCCC3)c2C1 ZINC000096280938 553737058 /nfs/dbraw/zinc/73/70/58/553737058.db2.gz AQUKAQCQQHODOW-UHFFFAOYSA-N 1 2 518.612 4.270 50 0 KIAALO CCOc1cccc(-c2ccc3nc(-c4ccc(C)cc4)c(C[NH+]4CCN(S(C)(=O)=O)CC4)n3c2)c1 ZINC000096288043 553739143 /nfs/dbraw/zinc/73/91/43/553739143.db2.gz WSENYZWUCHLHIK-UHFFFAOYSA-N 1 2 504.656 4.453 50 0 KIAALO CCOc1cccc(-c2ccc3nc(-c4ccc(OC)cc4)c(CCC(=O)NCC[NH+]4CCOCC4)n3c2)c1 ZINC000096289696 553741997 /nfs/dbraw/zinc/74/19/97/553741997.db2.gz LMZVHCMHEWPLOX-UHFFFAOYSA-N 1 2 528.653 4.457 50 0 KIAALO CCOc1cccc(-c2ccc3nc(-c4cccc(OC)c4)c(CCC(=O)NCC[NH+]4CCOCC4)n3c2)c1 ZINC000096291302 553745025 /nfs/dbraw/zinc/74/50/25/553745025.db2.gz BXXHXBHRRWEFKG-UHFFFAOYSA-N 1 2 528.653 4.457 50 0 KIAALO CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)NCC[NH+]2CCOCC2)CCc2ccccc2)n1 ZINC000096292460 553746513 /nfs/dbraw/zinc/74/65/13/553746513.db2.gz GIMOSWGRSYCXSU-UHFFFAOYSA-N 1 2 530.500 4.387 50 0 KIAALO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096536664 1064287824 /nfs/dbraw/zinc/28/78/24/1064287824.db2.gz FKPGEZAUXYSCTR-GNQFWKNRSA-N 1 2 516.505 4.158 50 0 KIAALO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096536665 1064289289 /nfs/dbraw/zinc/28/92/89/1064289289.db2.gz FKPGEZAUXYSCTR-BDYZRQCESA-N 1 2 516.505 4.158 50 0 KIAALO COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000097674340 1064287255 /nfs/dbraw/zinc/28/72/55/1064287255.db2.gz NYTBTAIJHMISPM-XFXZXTDPSA-N 1 2 519.667 4.300 50 0 KIAALO O[C@@H](COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1)CN1CCN(c2ccccc2Cl)CC1 ZINC000097944142 553768821 /nfs/dbraw/zinc/76/88/21/553768821.db2.gz OVUMCCIXOATTDQ-WMPKNSHKSA-N 1 2 615.602 4.117 50 0 KIAALO O[C@@H](COc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3Cl)CC2)cc1)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000097944142 553768818 /nfs/dbraw/zinc/76/88/18/553768818.db2.gz OVUMCCIXOATTDQ-WMPKNSHKSA-N 1 2 615.602 4.117 50 0 KIAALO O[C@@H](COc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1)CN1CCN(c2ccccc2Cl)CC1 ZINC000097944143 553768783 /nfs/dbraw/zinc/76/87/83/553768783.db2.gz OVUMCCIXOATTDQ-CLJLJLNGSA-N 1 2 615.602 4.117 50 0 KIAALO O[C@H](COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1)CN1CCN(c2ccccc2Cl)CC1 ZINC000097944144 553768832 /nfs/dbraw/zinc/76/88/32/553768832.db2.gz OVUMCCIXOATTDQ-UIOOFZCWSA-N 1 2 615.602 4.117 50 0 KIAALO CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000097945658 553773852 /nfs/dbraw/zinc/77/38/52/553773852.db2.gz WDEMODXQXPSXJJ-AREMUKBSSA-N 1 2 533.575 4.181 50 0 KIAALO Cc1c2c(cc(=O)n1CC[NH+]1CCOCC1)n(Cc1ccc(Br)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000097948542 553794637 /nfs/dbraw/zinc/79/46/37/553794637.db2.gz RYDRQKFTQARJHP-UHFFFAOYSA-N 1 2 580.508 4.015 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000097949618 553802579 /nfs/dbraw/zinc/80/25/79/553802579.db2.gz ZIDSWOMUDNDURP-UHFFFAOYSA-N 1 2 539.352 4.497 50 0 KIAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000097951240 553807795 /nfs/dbraw/zinc/80/77/95/553807795.db2.gz UGBOOCVDDQUDLH-GOSISDBHSA-N 1 2 530.193 4.052 50 0 KIAALO CC(=O)Nc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)c3ccccc32)cc1 ZINC000097951729 553810808 /nfs/dbraw/zinc/81/08/08/553810808.db2.gz PHCYCFCBEOJLQA-UHFFFAOYSA-N 1 2 530.654 4.243 50 0 KIAALO CCOc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3sc4c(c3c2=O)CC[N@@H+](C)C4)cc1 ZINC000097953142 553819679 /nfs/dbraw/zinc/81/96/79/553819679.db2.gz UYIYURXWJAXVIB-UHFFFAOYSA-N 1 2 534.707 4.285 50 0 KIAALO CCOc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3sc4c(c3c2=O)CC[N@H+](C)C4)cc1 ZINC000097953142 553819677 /nfs/dbraw/zinc/81/96/77/553819677.db2.gz UYIYURXWJAXVIB-UHFFFAOYSA-N 1 2 534.707 4.285 50 0 KIAALO CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(SCC[NH+]2CCOCC2)n1 ZINC000097954099 553821315 /nfs/dbraw/zinc/82/13/15/553821315.db2.gz WSZUMJUMGQTVED-UHFFFAOYSA-N 1 2 547.772 4.074 50 0 KIAALO CC1CCN(C(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2cccc(Cl)c2)CC[N@H+](C)C4)CC1 ZINC000097954128 553821602 /nfs/dbraw/zinc/82/16/02/553821602.db2.gz PXHYXILCSUBUHN-UHFFFAOYSA-N 1 2 543.118 4.087 50 0 KIAALO CC1CCN(C(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2cccc(Cl)c2)CC[N@@H+](C)C4)CC1 ZINC000097954128 553821599 /nfs/dbraw/zinc/82/15/99/553821599.db2.gz PXHYXILCSUBUHN-UHFFFAOYSA-N 1 2 543.118 4.087 50 0 KIAALO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000097954200 553821970 /nfs/dbraw/zinc/82/19/70/553821970.db2.gz JRZNIMQRVDWEHW-UHFFFAOYSA-N 1 2 535.428 4.429 50 0 KIAALO CCOc1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CC[N@H+](C)C4)cc1 ZINC000097954432 553823133 /nfs/dbraw/zinc/82/31/33/553823133.db2.gz AAIMIFIBGSVIHQ-UHFFFAOYSA-N 1 2 546.678 4.212 50 0 KIAALO CCOc1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CC[N@@H+](C)C4)cc1 ZINC000097954432 553823131 /nfs/dbraw/zinc/82/31/31/553823131.db2.gz AAIMIFIBGSVIHQ-UHFFFAOYSA-N 1 2 546.678 4.212 50 0 KIAALO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000097954510 553823863 /nfs/dbraw/zinc/82/38/63/553823863.db2.gz MMIPPPZMKFPIPC-VWLOTQADSA-N 1 2 536.588 4.097 50 0 KIAALO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000097954510 553823862 /nfs/dbraw/zinc/82/38/62/553823862.db2.gz MMIPPPZMKFPIPC-VWLOTQADSA-N 1 2 536.588 4.097 50 0 KIAALO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000097954511 553823868 /nfs/dbraw/zinc/82/38/68/553823868.db2.gz MMIPPPZMKFPIPC-RUZDIDTESA-N 1 2 536.588 4.097 50 0 KIAALO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000097954511 553823866 /nfs/dbraw/zinc/82/38/66/553823866.db2.gz MMIPPPZMKFPIPC-RUZDIDTESA-N 1 2 536.588 4.097 50 0 KIAALO C[N@H+]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)Nc4cccc(Cl)c4)n23)C1 ZINC000097954565 553824153 /nfs/dbraw/zinc/82/41/53/553824153.db2.gz OHHNSBFLNHAWRL-UHFFFAOYSA-N 1 2 537.070 4.467 50 0 KIAALO C[N@@H+]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)Nc4cccc(Cl)c4)n23)C1 ZINC000097954565 553824151 /nfs/dbraw/zinc/82/41/51/553824151.db2.gz OHHNSBFLNHAWRL-UHFFFAOYSA-N 1 2 537.070 4.467 50 0 KIAALO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c21 ZINC000097955814 553834290 /nfs/dbraw/zinc/83/42/90/553834290.db2.gz PWODIPFFGPVPMJ-UHFFFAOYSA-N 1 2 532.563 4.452 50 0 KIAALO C[C@@H]1CN(c2cc(Cl)nc(SCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)CCN1C(=O)NC(C)(C)C ZINC000097956172 553836571 /nfs/dbraw/zinc/83/65/71/553836571.db2.gz WPKMWQFCGOUREX-YVWYTEFXSA-N 1 2 586.206 4.098 50 0 KIAALO C[C@H]1CN(c2cc(Cl)nc(SCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)CCN1C(=O)NC(C)(C)C ZINC000097956173 553836682 /nfs/dbraw/zinc/83/66/82/553836682.db2.gz WPKMWQFCGOUREX-NJTIBFSMSA-N 1 2 586.206 4.098 50 0 KIAALO O=C(c1ccc(/C=C2\SC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2=O)cc1)N1CC[NH+](CCN2CCOCC2)CC1 ZINC000097956201 553836693 /nfs/dbraw/zinc/83/66/93/553836693.db2.gz YCBGOBPPKAABNW-PLRJNAJWSA-N 1 2 588.652 4.032 50 0 KIAALO O=C(c1ccc(/C=C2\SC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2=O)cc1)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000097956201 553836692 /nfs/dbraw/zinc/83/66/92/553836692.db2.gz YCBGOBPPKAABNW-PLRJNAJWSA-N 1 2 588.652 4.032 50 0 KIAALO COCC[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccc(C(F)(F)F)cc4)C3=O)cc2)CC1 ZINC000097956325 553837660 /nfs/dbraw/zinc/83/76/60/553837660.db2.gz GYXGXTVCDZVCJU-JWGURIENSA-N 1 2 533.572 4.346 50 0 KIAALO COCC[NH+]1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccc(C(F)(F)F)cc4)C3=O)c2)CC1 ZINC000097956365 553838479 /nfs/dbraw/zinc/83/84/79/553838479.db2.gz UAUAHASWJVRGGG-JWGURIENSA-N 1 2 533.572 4.346 50 0 KIAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097957490 553846459 /nfs/dbraw/zinc/84/64/59/553846459.db2.gz ZZGDPQAKMYWWAQ-UHFFFAOYSA-N 1 2 539.679 4.130 50 0 KIAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097957490 553846455 /nfs/dbraw/zinc/84/64/55/553846455.db2.gz ZZGDPQAKMYWWAQ-UHFFFAOYSA-N 1 2 539.679 4.130 50 0 KIAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097963445 553890211 /nfs/dbraw/zinc/89/02/11/553890211.db2.gz URRKTARDKVXZPL-BGYRXZFFSA-N 1 2 583.732 4.143 50 0 KIAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097963445 553890208 /nfs/dbraw/zinc/89/02/08/553890208.db2.gz URRKTARDKVXZPL-BGYRXZFFSA-N 1 2 583.732 4.143 50 0 KIAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097963446 553890253 /nfs/dbraw/zinc/89/02/53/553890253.db2.gz URRKTARDKVXZPL-PMACEKPBSA-N 1 2 583.732 4.143 50 0 KIAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097963446 553890250 /nfs/dbraw/zinc/89/02/50/553890250.db2.gz URRKTARDKVXZPL-PMACEKPBSA-N 1 2 583.732 4.143 50 0 KIAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097963447 553889976 /nfs/dbraw/zinc/88/99/76/553889976.db2.gz URRKTARDKVXZPL-WOJBJXKFSA-N 1 2 583.732 4.143 50 0 KIAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097963447 553889971 /nfs/dbraw/zinc/88/99/71/553889971.db2.gz URRKTARDKVXZPL-WOJBJXKFSA-N 1 2 583.732 4.143 50 0 KIAALO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000097963474 553890496 /nfs/dbraw/zinc/89/04/96/553890496.db2.gz NXFXZJSNSWCSJQ-UHFFFAOYSA-N 1 2 554.738 4.468 50 0 KIAALO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000097963474 553890495 /nfs/dbraw/zinc/89/04/95/553890495.db2.gz NXFXZJSNSWCSJQ-UHFFFAOYSA-N 1 2 554.738 4.468 50 0 KIAALO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000097963476 553890562 /nfs/dbraw/zinc/89/05/62/553890562.db2.gz HLRZIOXAOGRZMJ-UHFFFAOYSA-N 1 2 554.738 4.468 50 0 KIAALO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000097963476 553890561 /nfs/dbraw/zinc/89/05/61/553890561.db2.gz HLRZIOXAOGRZMJ-UHFFFAOYSA-N 1 2 554.738 4.468 50 0 KIAALO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000097963477 553890499 /nfs/dbraw/zinc/89/04/99/553890499.db2.gz BVNZBEAGUPACCP-UHFFFAOYSA-N 1 2 560.701 4.483 50 0 KIAALO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000097963477 553890498 /nfs/dbraw/zinc/89/04/98/553890498.db2.gz BVNZBEAGUPACCP-UHFFFAOYSA-N 1 2 560.701 4.483 50 0 KIAALO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[N@H+](Cc3ccccc3)C4)cc2)C1 ZINC000097963479 553890556 /nfs/dbraw/zinc/89/05/56/553890556.db2.gz NWRQZHKHDGZQGH-BGYRXZFFSA-N 1 2 566.749 4.324 50 0 KIAALO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[N@@H+](Cc3ccccc3)C4)cc2)C1 ZINC000097963479 553890554 /nfs/dbraw/zinc/89/05/54/553890554.db2.gz NWRQZHKHDGZQGH-BGYRXZFFSA-N 1 2 566.749 4.324 50 0 KIAALO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[N@H+](Cc3ccccc3)C4)cc2)C1 ZINC000097963480 553890530 /nfs/dbraw/zinc/89/05/30/553890530.db2.gz NWRQZHKHDGZQGH-PMACEKPBSA-N 1 2 566.749 4.324 50 0 KIAALO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[N@@H+](Cc3ccccc3)C4)cc2)C1 ZINC000097963480 553890528 /nfs/dbraw/zinc/89/05/28/553890528.db2.gz NWRQZHKHDGZQGH-PMACEKPBSA-N 1 2 566.749 4.324 50 0 KIAALO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[N@H+](Cc3ccccc3)C4)cc2)C1 ZINC000097963481 553891150 /nfs/dbraw/zinc/89/11/50/553891150.db2.gz NWRQZHKHDGZQGH-WOJBJXKFSA-N 1 2 566.749 4.324 50 0 KIAALO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[N@@H+](Cc3ccccc3)C4)cc2)C1 ZINC000097963481 553891149 /nfs/dbraw/zinc/89/11/49/553891149.db2.gz NWRQZHKHDGZQGH-WOJBJXKFSA-N 1 2 566.749 4.324 50 0 KIAALO NC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000097963486 553891060 /nfs/dbraw/zinc/89/10/60/553891060.db2.gz NVADSMJTFDKCDJ-UHFFFAOYSA-N 1 2 552.722 4.222 50 0 KIAALO NC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000097963486 553891055 /nfs/dbraw/zinc/89/10/55/553891055.db2.gz NVADSMJTFDKCDJ-UHFFFAOYSA-N 1 2 552.722 4.222 50 0 KIAALO COc1ccc2cc([C@@H](CC(=O)N3CC[NH+](C)CC3)c3c(O)cc(=O)c4c(O)cc(-c5ccccc5)oc3-4)c(=O)n(C)c2c1 ZINC000097971878 553963596 /nfs/dbraw/zinc/96/35/96/553963596.db2.gz ZEXOMRXRGRSZIN-HSZRJFAPSA-N 1 2 595.652 4.028 50 0 biogenic KIAALO COc1ccc2cc([C@H](CC(=O)N3CC[NH+](C)CC3)c3c(O)cc(=O)c4c(O)cc(-c5ccccc5)oc3-4)c(=O)n(C)c2c1 ZINC000097971879 553963689 /nfs/dbraw/zinc/96/36/89/553963689.db2.gz ZEXOMRXRGRSZIN-QHCPKHFHSA-N 1 2 595.652 4.028 50 0 biogenic KIAALO COc1ccc([C@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1 ZINC000097971901 553963991 /nfs/dbraw/zinc/96/39/91/553963991.db2.gz JQEZMEATTWQSEX-QFIPXVFZSA-N 1 2 544.604 4.184 50 0 biogenic KIAALO COc1ccc([C@@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1 ZINC000097971902 553963965 /nfs/dbraw/zinc/96/39/65/553963965.db2.gz JQEZMEATTWQSEX-JOCHJYFZSA-N 1 2 544.604 4.184 50 0 biogenic KIAALO COc1ccc([C@H](CC(=O)N2CC[NH+](C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1OC ZINC000097971941 553964236 /nfs/dbraw/zinc/96/42/36/553964236.db2.gz AONZXHPATMHIOQ-NRFANRHFSA-N 1 2 574.630 4.193 50 0 biogenic KIAALO COc1ccc([C@@H](CC(=O)N2CC[NH+](C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1OC ZINC000097971942 553964244 /nfs/dbraw/zinc/96/42/44/553964244.db2.gz AONZXHPATMHIOQ-OAQYLSRUSA-N 1 2 574.630 4.193 50 0 biogenic KIAALO COc1ccc2cc([C@H](CC(=O)N3CC[NH+](C)CC3)c3c(O)cc(=O)c4c(O)cc(-c5ccccc5)oc3-4)c(=O)[nH]c2c1 ZINC000097972072 553965668 /nfs/dbraw/zinc/96/56/68/553965668.db2.gz PNILSKUDGIDLIX-QFIPXVFZSA-N 1 2 581.625 4.017 50 0 biogenic KIAALO COc1ccc2cc([C@@H](CC(=O)N3CC[NH+](C)CC3)c3c(O)cc(=O)c4c(O)cc(-c5ccccc5)oc3-4)c(=O)[nH]c2c1 ZINC000097972073 553965724 /nfs/dbraw/zinc/96/57/24/553965724.db2.gz PNILSKUDGIDLIX-JOCHJYFZSA-N 1 2 581.625 4.017 50 0 biogenic KIAALO COc1ccc([C@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)cc1OC ZINC000097972104 553966061 /nfs/dbraw/zinc/96/60/61/553966061.db2.gz MSAZWCFNVCBDIJ-NRFANRHFSA-N 1 2 544.604 4.184 50 0 biogenic KIAALO COc1ccc([C@@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)cc1OC ZINC000097972105 553966067 /nfs/dbraw/zinc/96/60/67/553966067.db2.gz MSAZWCFNVCBDIJ-OAQYLSRUSA-N 1 2 544.604 4.184 50 0 biogenic KIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCN3C(=O)S/C(=C\c4ccc(OC)c(OC)c4)C3=O)c2C1 ZINC000097980324 553987539 /nfs/dbraw/zinc/98/75/39/553987539.db2.gz FLZQSJLURIQHEV-XYGWBWBKSA-N 1 2 546.649 4.096 50 0 KIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCN3C(=O)S/C(=C\c4ccc(OC)c(OC)c4)C3=O)c2C1 ZINC000097980324 553987535 /nfs/dbraw/zinc/98/75/35/553987535.db2.gz FLZQSJLURIQHEV-XYGWBWBKSA-N 1 2 546.649 4.096 50 0 KIAALO O=C1c2ccccc2/C(=C/NCCCn2cc[nH+]c2)C(=O)N1c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000097980491 553989030 /nfs/dbraw/zinc/98/90/30/553989030.db2.gz BKGVGKHBECZGCL-MOHJPFBDSA-N 1 2 545.596 4.031 50 0 KIAALO CCNc1nc(N2n3c(=O)c4c(nc3SC[C@@]2(O)c2ccc(Br)cc2)sc2c4CCCC2)nc(NCC)[nH+]1 ZINC000097986399 554023713 /nfs/dbraw/zinc/02/37/13/554023713.db2.gz LJUOKALNLAKHDQ-RUZDIDTESA-N 1 2 615.583 4.369 50 0 KIAALO CCNc1nc(N2n3c(=O)c4c(nc3SC[C@]2(O)c2ccc(Br)cc2)sc2c4CCCC2)nc(NCC)[nH+]1 ZINC000097986400 554023749 /nfs/dbraw/zinc/02/37/49/554023749.db2.gz LJUOKALNLAKHDQ-VWLOTQADSA-N 1 2 615.583 4.369 50 0 KIAALO COc1cc(CCN2C(=O)c3cccc4cccc(c43)C2=O)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000097986421 554024023 /nfs/dbraw/zinc/02/40/23/554024023.db2.gz JNJXWJJLGZYDMR-UHFFFAOYSA-N 1 2 599.709 4.202 50 0 KIAALO CCOC(=O)c1c2cc(OC[C@H](O)C[NH+]3CCOCC3)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000097986529 554024950 /nfs/dbraw/zinc/02/49/50/554024950.db2.gz HXXDAUCNAJHXDH-GOSISDBHSA-N 1 2 563.514 4.482 50 0 KIAALO CCOC(=O)c1c2cc(OC[C@@H](O)C[NH+]3CCOCC3)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000097986530 554025015 /nfs/dbraw/zinc/02/50/15/554025015.db2.gz HXXDAUCNAJHXDH-SFHVURJKSA-N 1 2 563.514 4.482 50 0 KIAALO Cc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(N5CCOCC5)[nH+]c(N5CCOCC5)n4)cc3s2)c(C)c1 ZINC000097995536 554035854 /nfs/dbraw/zinc/03/58/54/554035854.db2.gz IOUITMLXRRYDGB-UHFFFAOYSA-N 1 2 592.751 4.246 50 0 KIAALO CC(C)c1ccc(N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000097995551 554035835 /nfs/dbraw/zinc/03/58/35/554035835.db2.gz LXYPTPQIYVXNLI-UHFFFAOYSA-N 1 2 535.666 4.078 50 0 KIAALO FC(F)(F)Oc1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000098003671 554056053 /nfs/dbraw/zinc/05/60/53/554056053.db2.gz IFYYELFLWHQMTN-UHFFFAOYSA-N 1 2 535.958 4.330 50 0 KIAALO COc1ccc(-c2nc3ccccc3c(N(CCC(=O)NCC[NH+]3CCOCC3)CCc3ccccc3)n2)cc1 ZINC000098009816 554071412 /nfs/dbraw/zinc/07/14/12/554071412.db2.gz FQIOVUASERUDCC-UHFFFAOYSA-N 1 2 539.680 4.193 50 0 KIAALO O=C(CCN(Cc1ccco1)c1nc(-c2cccc(Br)c2)nc2ccccc21)NCC[NH+]1CCOCC1 ZINC000098009818 554071340 /nfs/dbraw/zinc/07/13/40/554071340.db2.gz DRTDICZGMUMKBA-UHFFFAOYSA-N 1 2 564.484 4.497 50 0 KIAALO CC[NH+]1CCN(C2=C(c3c(=O)n(-c4ccccc4)[nH]c3-c3ccccc3)C(=O)N(c3ccc(OC)cc3)C2=O)CC1 ZINC000098012485 554091219 /nfs/dbraw/zinc/09/12/19/554091219.db2.gz PYABOHLIEKXVNU-UHFFFAOYSA-N 1 2 549.631 4.176 50 0 KIAALO COc1ccc(CCN(C)c2cc(C)[nH+]c(SCc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)n2)cc1OC ZINC000098014996 554094832 /nfs/dbraw/zinc/09/48/32/554094832.db2.gz ZVUFQUOFBCUFPO-UHFFFAOYSA-N 1 2 563.724 4.078 50 0 KIAALO CCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)[nH+]1 ZINC000098015002 554094941 /nfs/dbraw/zinc/09/49/41/554094941.db2.gz PQGZTIYKUSQQMT-UHFFFAOYSA-N 1 2 562.715 4.101 50 0 KIAALO CCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NCCN3CCOCC3)cc2)[nH+]1 ZINC000098015010 554094911 /nfs/dbraw/zinc/09/49/11/554094911.db2.gz JSAHJBGKLDYPRV-UHFFFAOYSA-N 1 2 579.767 4.089 50 0 KIAALO CCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)n1 ZINC000098015010 554094909 /nfs/dbraw/zinc/09/49/09/554094909.db2.gz JSAHJBGKLDYPRV-UHFFFAOYSA-N 1 2 579.767 4.089 50 0 KIAALO CCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)[nH+]1 ZINC000098015015 554094937 /nfs/dbraw/zinc/09/49/37/554094937.db2.gz IREVGDJJEARCFG-UHFFFAOYSA-N 1 2 536.698 4.500 50 0 KIAALO CCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)[nH+]1 ZINC000098015017 554094915 /nfs/dbraw/zinc/09/49/15/554094915.db2.gz CDNZCQWVGDMLGK-UHFFFAOYSA-N 1 2 577.751 4.332 50 0 KIAALO CC[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NCc4ccc5c(c4)OCO5)o3)n2)CC1 ZINC000098015035 554095151 /nfs/dbraw/zinc/09/51/51/554095151.db2.gz UCNMKFXYGZXTTP-UHFFFAOYSA-N 1 2 537.686 4.460 50 0 KIAALO CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(N4CC[NH+](CC)CC4)cc(C(C)(C)C)n3)o2)CC1 ZINC000098015036 554095181 /nfs/dbraw/zinc/09/51/81/554095181.db2.gz NVEXAONIBDUPHT-UHFFFAOYSA-N 1 2 543.734 4.217 50 0 KIAALO CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CC[NH+](CC)CC4)cc(C(C)(C)C)n3)o2)C1 ZINC000098015037 554095161 /nfs/dbraw/zinc/09/51/61/554095161.db2.gz VJKXOAJNURXOJT-FQEVSTJZSA-N 1 2 543.734 4.217 50 0 KIAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CC[NH+](CC)CC4)cc(C(C)(C)C)n3)o2)C1 ZINC000098015038 554095163 /nfs/dbraw/zinc/09/51/63/554095163.db2.gz VJKXOAJNURXOJT-HXUWFJFHSA-N 1 2 543.734 4.217 50 0 KIAALO COCCNC(=O)c1ccc(CSc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(C)[nH+]2)o1 ZINC000098015232 554097250 /nfs/dbraw/zinc/09/72/50/554097250.db2.gz ORDJEUQPEJGJLW-UHFFFAOYSA-N 1 2 535.592 4.392 50 0 KIAALO Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2ccc(C(=O)N3CCOCC3)o2)[nH+]1 ZINC000098015239 554097185 /nfs/dbraw/zinc/09/71/85/554097185.db2.gz WJRSFKPVXFOELU-UHFFFAOYSA-N 1 2 547.603 4.488 50 0 KIAALO COCc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)n1 ZINC000098015297 554097820 /nfs/dbraw/zinc/09/78/20/554097820.db2.gz QKLYZUMBKNNLKB-UHFFFAOYSA-N 1 2 630.737 4.323 50 0 KIAALO COc1ccc(CCN(C)c2nc(SCc3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)nc(C)c2C)cc1OC ZINC000098015333 554098199 /nfs/dbraw/zinc/09/81/99/554098199.db2.gz VOWGEEHTVCOPCE-UHFFFAOYSA-N 1 2 579.767 4.144 50 0 KIAALO COc1ccc(CCN(C)c2nc(SCc3cccc(C(=O)NCC[NH+]4CCOCC4)c3)nc(C)c2C)cc1OC ZINC000098015343 554098149 /nfs/dbraw/zinc/09/81/49/554098149.db2.gz MWQODYMAKLJWRU-UHFFFAOYSA-N 1 2 579.767 4.144 50 0 KIAALO COc1ccc(-n2ncc(Oc3ccc(Cl)cc3)c(Nc3cccc(C(=O)NCC[NH+]4CCOCC4)c3)c2=O)cc1 ZINC000098015389 554098722 /nfs/dbraw/zinc/09/87/22/554098722.db2.gz MFXGULHQJZTZRR-UHFFFAOYSA-N 1 2 576.053 4.492 50 0 KIAALO Cc1nc(SCc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)nc(N2CCN(c3ccccc3Cl)CC2)c1C ZINC000098015420 554099208 /nfs/dbraw/zinc/09/92/08/554099208.db2.gz PFPNTXLLTFNLRV-UHFFFAOYSA-N 1 2 581.186 4.428 50 0 KIAALO COc1ccc(-n2ncc(Oc3ccc4c(c3)CCC4)c(Nc3cccc(C(=O)NCC[NH+]4CCOCC4)c3)c2=O)cc1 ZINC000098015572 554100586 /nfs/dbraw/zinc/10/05/86/554100586.db2.gz IXPAPDQONNHSGC-UHFFFAOYSA-N 1 2 581.673 4.328 50 0 KIAALO Cc1cccc(Oc2cnn(-c3ccccc3)c(=O)c2Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)c1C ZINC000098015634 554101010 /nfs/dbraw/zinc/10/10/10/554101010.db2.gz CZSKCNNLYPMFEI-UHFFFAOYSA-N 1 2 539.636 4.447 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)c1cccc(Nc2c(Oc3ccccc3)cnn(-c3ccccc3Cl)c2=O)c1 ZINC000098015658 554101261 /nfs/dbraw/zinc/10/12/61/554101261.db2.gz YVLQPKDLODAQOA-UHFFFAOYSA-N 1 2 546.027 4.484 50 0 KIAALO COc1ccc(-n2ncc(Oc3cccc(C)c3C)c(Nc3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)c2=O)cc1 ZINC000098015690 554101523 /nfs/dbraw/zinc/10/15/23/554101523.db2.gz COSRXVPZNJNFFG-UHFFFAOYSA-N 1 2 569.662 4.456 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)c1cccc(Nc2c(Oc3ccc(F)cc3)cnn(-c3ccc(F)cc3)c2=O)c1 ZINC000098015708 554101534 /nfs/dbraw/zinc/10/15/34/554101534.db2.gz XYKVECGGVBJFKD-UHFFFAOYSA-N 1 2 547.562 4.109 50 0 KIAALO Cc1ccc(Oc2cnn(-c3ccc(F)cc3)c(=O)c2Nc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)cc1 ZINC000098015722 554101839 /nfs/dbraw/zinc/10/18/39/554101839.db2.gz SLBBYMJULKONJI-UHFFFAOYSA-N 1 2 543.599 4.278 50 0 KIAALO Cc1ccccc1Oc1cnn(-c2ccc(F)cc2)c(=O)c1Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000098015729 554101834 /nfs/dbraw/zinc/10/18/34/554101834.db2.gz YWLABAZNXOBJCH-UHFFFAOYSA-N 1 2 543.599 4.278 50 0 KIAALO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(C)[nH+]c(C)c3Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000098016516 554102071 /nfs/dbraw/zinc/10/20/71/554102071.db2.gz CRRNGTTVNUJRBG-UHFFFAOYSA-N 1 2 547.603 4.172 50 0 KIAALO O=C(CN(CCC[NH+]1CCOCC1)S(=O)(=O)c1ccc(Br)cc1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000098017845 554110829 /nfs/dbraw/zinc/11/08/29/554110829.db2.gz SBRUFOWXBNYJGP-UHFFFAOYSA-N 1 2 608.530 4.123 50 0 KIAALO Cc1cc(C)c(S(=O)(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccccc2)c(C)c1 ZINC000098017922 554111067 /nfs/dbraw/zinc/11/10/67/554111067.db2.gz LBVDXISWSPUXNX-UHFFFAOYSA-N 1 2 553.725 4.147 50 0 KIAALO O=C(CN(CCC[NH+]1CCOCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000098017951 554111316 /nfs/dbraw/zinc/11/13/16/554111316.db2.gz DYYFMZXSIYNDPI-UHFFFAOYSA-N 1 2 597.631 4.380 50 0 KIAALO Cc1c2c(cc(=O)n1CC[NH+]1CCOCC1)n(CC(=O)Nc1ccc(Cl)c(Cl)c1)n(-c1nc3ccccc3s1)c2=O ZINC000098042808 554122376 /nfs/dbraw/zinc/12/23/76/554122376.db2.gz CYXYFSZAHMOVRH-UHFFFAOYSA-N 1 2 613.527 4.150 50 0 KIAALO O=C(CCN1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1)Nc1cccc(Br)c1 ZINC000098044630 554129213 /nfs/dbraw/zinc/12/92/13/554129213.db2.gz RBRCEKAGGXSIOW-UHFFFAOYSA-N 1 2 538.284 4.187 50 0 KIAALO CCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098046721 554142731 /nfs/dbraw/zinc/14/27/31/554142731.db2.gz JPSRDWAAZHYYDL-HSZRJFAPSA-N 1 2 527.415 4.222 50 0 KIAALO CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098046722 554142708 /nfs/dbraw/zinc/14/27/08/554142708.db2.gz JPSRDWAAZHYYDL-QHCPKHFHSA-N 1 2 527.415 4.222 50 0 KIAALO CCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000098046723 554142854 /nfs/dbraw/zinc/14/28/54/554142854.db2.gz YFUAXBXDOMDZNF-XMMPIXPASA-N 1 2 557.441 4.230 50 0 KIAALO CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000098046724 554142746 /nfs/dbraw/zinc/14/27/46/554142746.db2.gz YFUAXBXDOMDZNF-DEOSSOPVSA-N 1 2 557.441 4.230 50 0 KIAALO CCOc1cccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000098046733 554143079 /nfs/dbraw/zinc/14/30/79/554143079.db2.gz CNUFZRSKAAZJLV-HSZRJFAPSA-N 1 2 527.415 4.222 50 0 KIAALO CCOc1cccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000098046734 554143213 /nfs/dbraw/zinc/14/32/13/554143213.db2.gz CNUFZRSKAAZJLV-QHCPKHFHSA-N 1 2 527.415 4.222 50 0 KIAALO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)C[NH+]3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc21 ZINC000098048152 554160130 /nfs/dbraw/zinc/16/01/30/554160130.db2.gz POKPYMDZAHSPQN-HHHXNRCGSA-N 1 2 605.757 4.229 50 0 KIAALO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](O)C[NH+]3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc21 ZINC000098048153 554160271 /nfs/dbraw/zinc/16/02/71/554160271.db2.gz POKPYMDZAHSPQN-MHZLTWQESA-N 1 2 605.757 4.229 50 0 KIAALO COc1cc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(OCC(N)=O)cc2)c(OC)cc1Cl ZINC000098048345 554161289 /nfs/dbraw/zinc/16/12/89/554161289.db2.gz WKJGQKQHCOYCAU-SANMLTNESA-N 1 2 547.999 4.499 50 0 KIAALO COc1cc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(OCC(N)=O)cc2)c(OC)cc1Cl ZINC000098048346 554161276 /nfs/dbraw/zinc/16/12/76/554161276.db2.gz WKJGQKQHCOYCAU-AREMUKBSSA-N 1 2 547.999 4.499 50 0 KIAALO Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)CC3)cs2)cc1 ZINC000098048409 554161774 /nfs/dbraw/zinc/16/17/74/554161774.db2.gz IYYNZVLRXNGBKQ-UHFFFAOYSA-N 1 2 547.681 4.120 50 0 KIAALO CCOCCCn1c(=O)c2ccc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2[nH]c1=S ZINC000098049331 554165135 /nfs/dbraw/zinc/16/51/35/554165135.db2.gz PPSOCJZCULQEQR-UHFFFAOYSA-N 1 2 544.121 4.081 50 0 KIAALO O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000098049354 554165196 /nfs/dbraw/zinc/16/51/96/554165196.db2.gz DOPCNYSRCUOOGO-UHFFFAOYSA-N 1 2 536.455 4.227 50 0 KIAALO O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000098049374 554165402 /nfs/dbraw/zinc/16/54/02/554165402.db2.gz YRWCZKWUMZTGKW-UHFFFAOYSA-N 1 2 562.509 4.069 50 0 KIAALO COc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2NCCc2ccc(Cl)cc2)c1 ZINC000098049724 554168554 /nfs/dbraw/zinc/16/85/54/554168554.db2.gz FLQKPEWSABGPQA-UHFFFAOYSA-N 1 2 543.089 4.192 50 0 KIAALO COc1cc(NC(=O)c2sc3nc(C)nc(N4CCN(c5cccc[nH+]5)CC4)c3c2C)cc(OC)c1OC ZINC000098049781 554169124 /nfs/dbraw/zinc/16/91/24/554169124.db2.gz KZGDMNDGCHPIDE-UHFFFAOYSA-N 1 2 534.642 4.308 50 0 KIAALO COc1ccc(CCNC(=O)c2sc3nc(C)nc(N4CCN(c5cccc[nH+]5)CC4)c3c2C)cc1OC ZINC000098049783 554169050 /nfs/dbraw/zinc/16/90/50/554169050.db2.gz SEQCIOYYUZBFRX-UHFFFAOYSA-N 1 2 532.670 4.019 50 0 KIAALO 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0 KIAALO O=C(NC1CCC(CC2CCC(NC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)CC1)N1CCN(c2ccccn2)CC1 ZINC000100021274 554182036 /nfs/dbraw/zinc/18/20/36/554182036.db2.gz MFZFHMUKPPIBJE-UHFFFAOYSA-N 1 2 588.801 4.348 50 0 KIAALO CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000100094161 554214735 /nfs/dbraw/zinc/21/47/35/554214735.db2.gz WDEMODXQXPSXJJ-SANMLTNESA-N 1 2 533.575 4.181 50 0 KIAALO CCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000100095825 554216639 /nfs/dbraw/zinc/21/66/39/554216639.db2.gz HCICHSJHGUSYMF-SANMLTNESA-N 1 2 505.565 4.403 50 0 KIAALO O=C1CS[C@@]2(c3ccccc3N(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2=O)N1c1ccc(Br)cc1 ZINC000100140530 554227660 /nfs/dbraw/zinc/22/76/60/554227660.db2.gz PLYUHHFUGOHVDC-GDLZYMKVSA-N 1 2 607.530 4.233 50 0 KIAALO O=C1CS[C@]2(c3ccccc3N(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2=O)N1c1ccc(Br)cc1 ZINC000100140532 554227569 /nfs/dbraw/zinc/22/75/69/554227569.db2.gz PLYUHHFUGOHVDC-LJAQVGFWSA-N 1 2 607.530 4.233 50 0 KIAALO O=C(COc1ccc(Cl)cc1Cl)NCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000100449687 554395282 /nfs/dbraw/zinc/39/52/82/554395282.db2.gz WYLWLVOMJLBFKD-UHFFFAOYSA-N 1 2 535.255 4.018 50 0 KIAALO COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)c3n2)cc(OC)c1OC ZINC000100571377 554422111 /nfs/dbraw/zinc/42/21/11/554422111.db2.gz OPQHZYNMIQWXOH-UHFFFAOYSA-N 1 2 555.557 4.399 50 0 KIAALO O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000100676354 554443704 /nfs/dbraw/zinc/44/37/04/554443704.db2.gz ZWNJDDZUXAAPDK-LJAQVGFWSA-N 1 2 550.631 4.044 50 0 KIAALO O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000100676358 554443713 /nfs/dbraw/zinc/44/37/13/554443713.db2.gz ZWNJDDZUXAAPDK-GDLZYMKVSA-N 1 2 550.631 4.044 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[N@H+]1CCN(c2cccc(OC)c2)[C@H](C)C1 ZINC000100758337 554467094 /nfs/dbraw/zinc/46/70/94/554467094.db2.gz ZVFUWZVPOXFMOE-CVEARBPZSA-N 1 2 529.435 4.263 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[N@@H+]1CCN(c2cccc(OC)c2)[C@H](C)C1 ZINC000100758337 554467090 /nfs/dbraw/zinc/46/70/90/554467090.db2.gz ZVFUWZVPOXFMOE-CVEARBPZSA-N 1 2 529.435 4.263 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[N@H+]1CCN(c2cccc(OC)c2)[C@@H](C)C1 ZINC000100758340 554467129 /nfs/dbraw/zinc/46/71/29/554467129.db2.gz ZVFUWZVPOXFMOE-HOTGVXAUSA-N 1 2 529.435 4.263 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[N@@H+]1CCN(c2cccc(OC)c2)[C@@H](C)C1 ZINC000100758340 554467125 /nfs/dbraw/zinc/46/71/25/554467125.db2.gz ZVFUWZVPOXFMOE-HOTGVXAUSA-N 1 2 529.435 4.263 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[N@H+]1CCN(c2cccc(OC)c2)[C@H](C)C1 ZINC000100758343 554467449 /nfs/dbraw/zinc/46/74/49/554467449.db2.gz ZVFUWZVPOXFMOE-HZPDHXFCSA-N 1 2 529.435 4.263 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[N@@H+]1CCN(c2cccc(OC)c2)[C@H](C)C1 ZINC000100758343 554467448 /nfs/dbraw/zinc/46/74/48/554467448.db2.gz ZVFUWZVPOXFMOE-HZPDHXFCSA-N 1 2 529.435 4.263 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[N@H+]1CCN(c2cccc(OC)c2)[C@@H](C)C1 ZINC000100758345 554467371 /nfs/dbraw/zinc/46/73/71/554467371.db2.gz ZVFUWZVPOXFMOE-JKSUJKDBSA-N 1 2 529.435 4.263 50 0 KIAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[N@@H+]1CCN(c2cccc(OC)c2)[C@@H](C)C1 ZINC000100758345 554467366 /nfs/dbraw/zinc/46/73/66/554467366.db2.gz ZVFUWZVPOXFMOE-JKSUJKDBSA-N 1 2 529.435 4.263 50 0 KIAALO O=[N+]([O-])C(C(=C(Cl)Cl)N1CC[NH+](Cc2ccccc2)CC1)=C1NCCN1Cc1ccc(Cl)nc1 ZINC000100788674 554472740 /nfs/dbraw/zinc/47/27/40/554472740.db2.gz JHZJMYSLALDGHT-XTQSDGFTSA-N 1 2 523.852 4.051 50 0 KIAALO O=C1C[C@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000100799850 554474516 /nfs/dbraw/zinc/47/45/16/554474516.db2.gz UGBOOCVDDQUDLH-SFHVURJKSA-N 1 2 530.193 4.052 50 0 KIAALO COc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000100826140 554481987 /nfs/dbraw/zinc/48/19/87/554481987.db2.gz 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ZINC000100915227 554519321 /nfs/dbraw/zinc/51/93/21/554519321.db2.gz QVEVVQKWXCVXAN-UKWMHNODSA-N 1 2 538.522 4.319 50 0 KIAALO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000100915228 554519363 /nfs/dbraw/zinc/51/93/63/554519363.db2.gz QVEVVQKWXCVXAN-TVQWTUMOSA-N 1 2 538.522 4.319 50 0 KIAALO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000100915229 554519380 /nfs/dbraw/zinc/51/93/80/554519380.db2.gz QVEVVQKWXCVXAN-PVIBPIFHSA-N 1 2 538.522 4.319 50 0 KIAALO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000100915230 554519370 /nfs/dbraw/zinc/51/93/70/554519370.db2.gz QVEVVQKWXCVXAN-DELVEFKNSA-N 1 2 538.522 4.319 50 0 KIAALO CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Nc2nc(N3CCOCC3)cc(C)[nH+]2)cc1 ZINC000100957824 554540854 /nfs/dbraw/zinc/54/08/54/554540854.db2.gz GHMTVHGNUFYNBS-UHFFFAOYSA-N 1 2 548.463 4.327 50 0 KIAALO 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COc1ccc(OC)c2nc(N3CCOCC3)c(CN(Cc3ccco3)C(=O)[C@@H]3Cc4ccccc4C[N@@H+]3C)cc12 ZINC000101076048 1064276098 /nfs/dbraw/zinc/27/60/98/1064276098.db2.gz CDBHVNBIJXSVFA-MHZLTWQESA-N 1 2 556.663 4.267 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000101100337 554587110 /nfs/dbraw/zinc/58/71/10/554587110.db2.gz CDDVJIBMDFKLEM-KANGHSEISA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000101100337 554587109 /nfs/dbraw/zinc/58/71/09/554587109.db2.gz CDDVJIBMDFKLEM-KANGHSEISA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000101110595 554641298 /nfs/dbraw/zinc/64/12/98/554641298.db2.gz HVZPAEPAOHVRQZ-RQXXJAGISA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000101110595 554641296 /nfs/dbraw/zinc/64/12/96/554641296.db2.gz HVZPAEPAOHVRQZ-RQXXJAGISA-N 1 2 521.198 4.187 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101111055 554641665 /nfs/dbraw/zinc/64/16/65/554641665.db2.gz XHCFUHUUMKFDJE-QUMGSSFMSA-N 1 2 543.963 4.231 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101111055 554641664 /nfs/dbraw/zinc/64/16/64/554641664.db2.gz XHCFUHUUMKFDJE-QUMGSSFMSA-N 1 2 543.963 4.231 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101111057 554641655 /nfs/dbraw/zinc/64/16/55/554641655.db2.gz XHCFUHUUMKFDJE-QYOOZWMWSA-N 1 2 543.963 4.231 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101111057 554641653 /nfs/dbraw/zinc/64/16/53/554641653.db2.gz XHCFUHUUMKFDJE-QYOOZWMWSA-N 1 2 543.963 4.231 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000101115406 554642824 /nfs/dbraw/zinc/64/28/24/554642824.db2.gz DCRGXYUXOMITJD-RQXXJAGISA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000101115406 554642822 /nfs/dbraw/zinc/64/28/22/554642822.db2.gz DCRGXYUXOMITJD-RQXXJAGISA-N 1 2 521.198 4.187 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000101151933 554657493 /nfs/dbraw/zinc/65/74/93/554657493.db2.gz GORPNROUJWZSHE-RUZDIDTESA-N 1 2 589.476 4.084 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000101151933 554657491 /nfs/dbraw/zinc/65/74/91/554657491.db2.gz GORPNROUJWZSHE-RUZDIDTESA-N 1 2 589.476 4.084 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000101151937 554657520 /nfs/dbraw/zinc/65/75/20/554657520.db2.gz GORPNROUJWZSHE-VWLOTQADSA-N 1 2 589.476 4.084 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000101151937 554657518 /nfs/dbraw/zinc/65/75/18/554657518.db2.gz GORPNROUJWZSHE-VWLOTQADSA-N 1 2 589.476 4.084 50 0 KIAALO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000101159894 554659569 /nfs/dbraw/zinc/65/95/69/554659569.db2.gz ZDTVFGUKJSPSJL-RQXXJAGISA-N 1 2 510.299 4.443 50 0 KIAALO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000101159894 554659568 /nfs/dbraw/zinc/65/95/68/554659568.db2.gz ZDTVFGUKJSPSJL-RQXXJAGISA-N 1 2 510.299 4.443 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000101160547 554659597 /nfs/dbraw/zinc/65/95/97/554659597.db2.gz UYIQMEONJNOALH-IMIIHFCZSA-N 1 2 502.368 4.034 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000101160547 554659596 /nfs/dbraw/zinc/65/95/96/554659596.db2.gz UYIQMEONJNOALH-IMIIHFCZSA-N 1 2 502.368 4.034 50 0 KIAALO CC[N@@H+](CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2ccccc21)c1cccc(C)c1 ZINC000101187947 554669826 /nfs/dbraw/zinc/66/98/26/554669826.db2.gz DNAHLJSMHGHNOM-UHFFFAOYSA-N 1 2 562.070 4.119 50 0 KIAALO CC[N@H+](CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2ccccc21)c1cccc(C)c1 ZINC000101187947 554669822 /nfs/dbraw/zinc/66/98/22/554669822.db2.gz DNAHLJSMHGHNOM-UHFFFAOYSA-N 1 2 562.070 4.119 50 0 KIAALO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000101190107 554670572 /nfs/dbraw/zinc/67/05/72/554670572.db2.gz XEJNSOFKQFABCY-DMBDEWFESA-N 1 2 571.674 4.172 50 0 KIAALO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000101190118 554670553 /nfs/dbraw/zinc/67/05/53/554670553.db2.gz XEJNSOFKQFABCY-BJUSWJRTSA-N 1 2 571.674 4.172 50 0 KIAALO COc1ccc(Cl)cc1N1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)n2)CC1 ZINC000101210891 554679535 /nfs/dbraw/zinc/67/95/35/554679535.db2.gz XPJZFBPAPVETGU-UHFFFAOYSA-N 1 2 591.927 4.023 50 0 KIAALO CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(OC)cc3OC)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224366 554688466 /nfs/dbraw/zinc/68/84/66/554688466.db2.gz SDNAIGVWMGCULC-LOYHVIPDSA-N 1 2 559.663 4.354 50 0 KIAALO CCOc1ccc([C@H]2[C@H](C(=O)Nc3ccc(OC)cc3OC)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224372 554688461 /nfs/dbraw/zinc/68/84/61/554688461.db2.gz SDNAIGVWMGCULC-IHLOFXLRSA-N 1 2 559.663 4.354 50 0 KIAALO CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(OC)cc3OC)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224375 554688325 /nfs/dbraw/zinc/68/83/25/554688325.db2.gz SDNAIGVWMGCULC-XZWHSSHBSA-N 1 2 559.663 4.354 50 0 KIAALO CCOc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(OC)cc3OC)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224378 554688384 /nfs/dbraw/zinc/68/83/84/554688384.db2.gz SDNAIGVWMGCULC-KYJUHHDHSA-N 1 2 559.663 4.354 50 0 KIAALO CCOc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224430 554688380 /nfs/dbraw/zinc/68/83/80/554688380.db2.gz IXLCYLDRLGZVLJ-ROJLCIKYSA-N 1 2 586.708 4.186 50 0 KIAALO CCOc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224435 554688408 /nfs/dbraw/zinc/68/84/08/554688408.db2.gz IXLCYLDRLGZVLJ-ZWXJPIIXSA-N 1 2 586.708 4.186 50 0 KIAALO CCOc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224440 554688319 /nfs/dbraw/zinc/68/83/19/554688319.db2.gz IXLCYLDRLGZVLJ-AJQTZOPKSA-N 1 2 586.708 4.186 50 0 KIAALO CCOc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224444 554688330 /nfs/dbraw/zinc/68/83/30/554688330.db2.gz IXLCYLDRLGZVLJ-ACHIHNKUSA-N 1 2 586.708 4.186 50 0 KIAALO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CC[NH+]3CCOCC3)c2)C1 ZINC000101253652 554694479 /nfs/dbraw/zinc/69/44/79/554694479.db2.gz IIOMUPPGLPLANA-RZQSZUFZSA-N 1 2 540.755 4.448 50 0 KIAALO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CC[NH+]3CCOCC3)c2)C1 ZINC000101253653 554694483 /nfs/dbraw/zinc/69/44/83/554694483.db2.gz IIOMUPPGLPLANA-MYJZRRDVSA-N 1 2 540.755 4.448 50 0 KIAALO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CC[NH+]3CCOCC3)c2)C1 ZINC000101253655 554694491 /nfs/dbraw/zinc/69/44/91/554694491.db2.gz IIOMUPPGLPLANA-NRKQSIPESA-N 1 2 540.755 4.448 50 0 KIAALO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266502 554698933 /nfs/dbraw/zinc/69/89/33/554698933.db2.gz UDCKIEQEYPOPRR-HVIPQOSHSA-N 1 2 617.699 4.278 50 0 KIAALO COc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266505 554699004 /nfs/dbraw/zinc/69/90/04/554699004.db2.gz UDCKIEQEYPOPRR-DICHSLLOSA-N 1 2 617.699 4.278 50 0 KIAALO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266507 554699015 /nfs/dbraw/zinc/69/90/15/554699015.db2.gz UDCKIEQEYPOPRR-XYFQYJLHSA-N 1 2 617.699 4.278 50 0 KIAALO COc1ccc([C@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266511 554698982 /nfs/dbraw/zinc/69/89/82/554698982.db2.gz UDCKIEQEYPOPRR-IEWVHIKDSA-N 1 2 617.699 4.278 50 0 KIAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000101326735 554729261 /nfs/dbraw/zinc/72/92/61/554729261.db2.gz IHSFBASQJRFEKR-SANMLTNESA-N 1 2 530.115 4.272 50 0 KIAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000101326735 554729258 /nfs/dbraw/zinc/72/92/58/554729258.db2.gz IHSFBASQJRFEKR-SANMLTNESA-N 1 2 530.115 4.272 50 0 KIAALO Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)c(C)c1 ZINC000101327193 554729126 /nfs/dbraw/zinc/72/91/26/554729126.db2.gz ULBUBLDRCHUAIA-MHZLTWQESA-N 1 2 541.714 4.293 50 0 KIAALO Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)c(C)c1 ZINC000101327193 554729124 /nfs/dbraw/zinc/72/91/24/554729124.db2.gz ULBUBLDRCHUAIA-MHZLTWQESA-N 1 2 541.714 4.293 50 0 KIAALO Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)c(C)c1 ZINC000101327196 554729132 /nfs/dbraw/zinc/72/91/32/554729132.db2.gz ULBUBLDRCHUAIA-HHHXNRCGSA-N 1 2 541.714 4.293 50 0 KIAALO Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)c(C)c1 ZINC000101327196 554729130 /nfs/dbraw/zinc/72/91/30/554729130.db2.gz ULBUBLDRCHUAIA-HHHXNRCGSA-N 1 2 541.714 4.293 50 0 KIAALO Cn1c2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000101340724 554735334 /nfs/dbraw/zinc/73/53/34/554735334.db2.gz NRVQCYLISFMFAP-UHFFFAOYSA-N 1 2 532.019 4.477 50 0 KIAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000101341229 554735630 /nfs/dbraw/zinc/73/56/30/554735630.db2.gz UAZIZUWOOUWISV-DWXRJYCRSA-N 1 2 548.105 4.410 50 0 KIAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000101341229 554735626 /nfs/dbraw/zinc/73/56/26/554735626.db2.gz UAZIZUWOOUWISV-DWXRJYCRSA-N 1 2 548.105 4.410 50 0 KIAALO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000101341235 554735590 /nfs/dbraw/zinc/73/55/90/554735590.db2.gz UAZIZUWOOUWISV-QYBDOPJKSA-N 1 2 548.105 4.410 50 0 KIAALO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000101341235 554735586 /nfs/dbraw/zinc/73/55/86/554735586.db2.gz UAZIZUWOOUWISV-QYBDOPJKSA-N 1 2 548.105 4.410 50 0 KIAALO Cc1ccc(NC(NC2CC(C)(C)[NH2+]C(C)(C)C2)=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000101378175 554747370 /nfs/dbraw/zinc/74/73/70/554747370.db2.gz BQPWPXKBUACMOS-WCWDXBQESA-N 1 2 503.647 4.417 50 0 KIAALO CCn1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000101410424 554763731 /nfs/dbraw/zinc/76/37/31/554763731.db2.gz WNMBLZMIAGOWMG-UHFFFAOYSA-N 1 2 614.212 4.180 50 0 KIAALO CCN1c2cc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc2[S@@](=O)c2ccccc2C1=O ZINC000101417110 554766016 /nfs/dbraw/zinc/76/60/16/554766016.db2.gz ZMZVZEFDTOGNDO-DIPNUNPCSA-N 1 2 537.085 4.039 50 0 KIAALO CCN1c2cc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc2[S@](=O)c2ccccc2C1=O ZINC000101417115 554765967 /nfs/dbraw/zinc/76/59/67/554765967.db2.gz ZMZVZEFDTOGNDO-QNGWXLTQSA-N 1 2 537.085 4.039 50 0 KIAALO COc1ccc(-c2nc(CSCC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(C)o2)cc1OC ZINC000101417914 554766501 /nfs/dbraw/zinc/76/65/01/554766501.db2.gz QFIUZHXBOYVOEQ-UHFFFAOYSA-N 1 2 545.105 4.492 50 0 KIAALO COc1ccc(-c2c(C)nn3c2nc(C)cc3N2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)cc1OC ZINC000101426131 554768686 /nfs/dbraw/zinc/76/86/86/554768686.db2.gz MLKCBSMTEXSAPS-UHFFFAOYSA-N 1 2 547.656 4.378 50 0 KIAALO Cc1noc(/C=C/c2c(C)cc(C)cc2C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000101500485 554788249 /nfs/dbraw/zinc/78/82/49/554788249.db2.gz PCKQUZXDURYBOO-CMDGGOBGSA-N 1 2 563.724 4.223 50 0 KIAALO Cc1oc(-c2ccccc2Cl)nc1CS(=O)(=O)CC(=O)NCCC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000101507803 554791502 /nfs/dbraw/zinc/79/15/02/554791502.db2.gz ZAIWESUDJWVLHS-UHFFFAOYSA-N 1 2 559.132 4.164 50 0 KIAALO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CCO[C@@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)cc1 ZINC000101510616 554792269 /nfs/dbraw/zinc/79/22/69/554792269.db2.gz ZENGQDQGEHAQMK-MHZLTWQESA-N 1 2 529.609 4.036 50 0 KIAALO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CCO[C@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)cc1 ZINC000101510618 554792290 /nfs/dbraw/zinc/79/22/90/554792290.db2.gz ZENGQDQGEHAQMK-HHHXNRCGSA-N 1 2 529.609 4.036 50 0 KIAALO COc1cccc(-c2nc3ccc(-c4ccc(C(C)=O)cc4)cn3c2CCC(=O)NCC[NH+]2CCOCC2)c1 ZINC000101619719 554807614 /nfs/dbraw/zinc/80/76/14/554807614.db2.gz VLENPFWMFQCFMV-UHFFFAOYSA-N 1 2 526.637 4.261 50 0 KIAALO O=C1CS[C@@]2(c3ccccc3N(C[NH+]3CCC4(CC3)OCCO4)C2=O)N1c1ccc(OCc2ccccc2)cc1 ZINC000101645630 554815578 /nfs/dbraw/zinc/81/55/78/554815578.db2.gz KEMSEJBBTSRVDN-WJOKGBTCSA-N 1 2 557.672 4.341 50 0 KIAALO O=C1CS[C@]2(c3ccccc3N(C[NH+]3CCC4(CC3)OCCO4)C2=O)N1c1ccc(OCc2ccccc2)cc1 ZINC000101645632 554815532 /nfs/dbraw/zinc/81/55/32/554815532.db2.gz KEMSEJBBTSRVDN-HKBQPEDESA-N 1 2 557.672 4.341 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccc(OC)c3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000101685635 554829485 /nfs/dbraw/zinc/82/94/85/554829485.db2.gz QFSTWNPTIXHMDW-RUZDIDTESA-N 1 2 574.600 4.075 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccc(OC)c3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000101685635 554829483 /nfs/dbraw/zinc/82/94/83/554829483.db2.gz QFSTWNPTIXHMDW-RUZDIDTESA-N 1 2 574.600 4.075 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccc(OC)c3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101685639 554829461 /nfs/dbraw/zinc/82/94/61/554829461.db2.gz QFSTWNPTIXHMDW-VWLOTQADSA-N 1 2 574.600 4.075 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccc(OC)c3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101685639 554829459 /nfs/dbraw/zinc/82/94/59/554829459.db2.gz QFSTWNPTIXHMDW-VWLOTQADSA-N 1 2 574.600 4.075 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000101689141 554830279 /nfs/dbraw/zinc/83/02/79/554830279.db2.gz ZBAOFFCGKAJDMG-RUZDIDTESA-N 1 2 574.600 4.075 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000101689141 554830276 /nfs/dbraw/zinc/83/02/76/554830276.db2.gz ZBAOFFCGKAJDMG-RUZDIDTESA-N 1 2 574.600 4.075 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000101689143 554830225 /nfs/dbraw/zinc/83/02/25/554830225.db2.gz ZBAOFFCGKAJDMG-VWLOTQADSA-N 1 2 574.600 4.075 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000101689143 554830223 /nfs/dbraw/zinc/83/02/23/554830223.db2.gz ZBAOFFCGKAJDMG-VWLOTQADSA-N 1 2 574.600 4.075 50 0 KIAALO O=C(c1ccc(Cl)cc1Cl)N1CCCN(c2nc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1 ZINC000101744380 554834265 /nfs/dbraw/zinc/83/42/65/554834265.db2.gz IBONZQCMYJGRQD-UHFFFAOYSA-N 1 2 575.928 4.405 50 0 KIAALO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCO[C@@H](c2ccccc2)c2ccc(N3CCOCC3)cc2)CC1 ZINC000101780138 554838225 /nfs/dbraw/zinc/83/82/25/554838225.db2.gz KMLJUSWUVPHEHM-PMERELPUSA-N 1 2 586.154 4.298 50 0 KIAALO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCO[C@H](c2ccccc2)c2ccc(N3CCOCC3)cc2)CC1 ZINC000101780142 554838259 /nfs/dbraw/zinc/83/82/59/554838259.db2.gz KMLJUSWUVPHEHM-SSEXGKCCSA-N 1 2 586.154 4.298 50 0 KIAALO COc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N(CCc3cccc(F)c3)C4=O)CC2)cc(OC)c1OC ZINC000101781334 554838602 /nfs/dbraw/zinc/83/86/02/554838602.db2.gz TZNZCQGXDOUPQQ-UHFFFAOYSA-N 1 2 533.600 4.012 50 0 KIAALO Cc1cccc(NC=C2C(=O)N(c3cccc(S(=O)(=O)NCc4ccco4)c3)C(=O)c3ccccc32)[nH+]1 ZINC000101828944 554841503 /nfs/dbraw/zinc/84/15/03/554841503.db2.gz OQSPXVOJZDSOGW-JJIBRWJFSA-N 1 2 514.563 4.102 50 0 KIAALO Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCC(C)CC3)c(N3CCN(c4cccc[nH+]4)CC3)cc1O2 ZINC000101901301 554847420 /nfs/dbraw/zinc/84/74/20/554847420.db2.gz QLDNXTJMWOENDQ-UHFFFAOYSA-N 1 2 547.681 4.495 50 0 KIAALO O=C(c1cccc(N2CCCC2=O)c1)N1CCC[C@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000101926012 554851881 /nfs/dbraw/zinc/85/18/81/554851881.db2.gz ICPGNJKYXKVUMR-LJAQVGFWSA-N 1 2 567.734 4.457 50 0 KIAALO O=C(c1cccc(N2CCCC2=O)c1)N1CCC[C@@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000101926016 554851853 /nfs/dbraw/zinc/85/18/53/554851853.db2.gz ICPGNJKYXKVUMR-GDLZYMKVSA-N 1 2 567.734 4.457 50 0 KIAALO CCOc1ccccc1C[N@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000101933099 554852054 /nfs/dbraw/zinc/85/20/54/554852054.db2.gz XYTBAFPLPUAZIO-VPUSJEBWSA-N 1 2 539.636 4.185 50 0 KIAALO CCOc1ccccc1C[N@@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000101933099 554852051 /nfs/dbraw/zinc/85/20/51/554852051.db2.gz XYTBAFPLPUAZIO-VPUSJEBWSA-N 1 2 539.636 4.185 50 0 KIAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](Cc3cc4c(c(OC)c3)OCO4)C2)cc1 ZINC000101954783 554853282 /nfs/dbraw/zinc/85/32/82/554853282.db2.gz NFRAMEVSQPGAHF-RPWUZVMVSA-N 1 2 546.649 4.132 50 0 KIAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](Cc3cc4c(c(OC)c3)OCO4)C2)cc1 ZINC000101954783 554853280 /nfs/dbraw/zinc/85/32/80/554853280.db2.gz NFRAMEVSQPGAHF-RPWUZVMVSA-N 1 2 546.649 4.132 50 0 KIAALO COc1cc(C[N@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2cccc(Cl)c2)ccc1OCc1ccccc1 ZINC000101965863 554853988 /nfs/dbraw/zinc/85/39/88/554853988.db2.gz OONFMKRNVDGBOU-FTJBHMTQSA-N 1 2 547.059 4.089 50 0 KIAALO COc1cc(C[N@@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2cccc(Cl)c2)ccc1OCc1ccccc1 ZINC000101965863 554853986 /nfs/dbraw/zinc/85/39/86/554853986.db2.gz OONFMKRNVDGBOU-FTJBHMTQSA-N 1 2 547.059 4.089 50 0 KIAALO Cn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000102021805 554867420 /nfs/dbraw/zinc/86/74/20/554867420.db2.gz CURKGGUTILRQCH-UHFFFAOYSA-N 1 2 526.033 4.486 50 0 KIAALO C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cccc(Cl)c2)cn3Cc2ccccc2)CC1 ZINC000102021967 554867426 /nfs/dbraw/zinc/86/74/26/554867426.db2.gz SDOMYOXLTYQIDE-UHFFFAOYSA-N 1 2 526.033 4.427 50 0 KIAALO CCC1=C(C(=O)OC)[C@H](c2ccc(OCc3ccccc3)c(OC)c2)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102039842 554869226 /nfs/dbraw/zinc/86/92/26/554869226.db2.gz PAVUEKNKDRQEFS-PMERELPUSA-N 1 2 606.745 4.251 50 0 KIAALO CCC1=C(C(=O)OC)[C@@H](c2ccc(OCc3ccccc3)c(OC)c2)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102039845 554869311 /nfs/dbraw/zinc/86/93/11/554869311.db2.gz PAVUEKNKDRQEFS-SSEXGKCCSA-N 1 2 606.745 4.251 50 0 KIAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@@H+](C/C=C/c3ccccc3OC)C2)nn1 ZINC000102061734 554873119 /nfs/dbraw/zinc/87/31/19/554873119.db2.gz SKUWPEKBLYNICG-KMQKBBRCSA-N 1 2 551.647 4.308 50 0 KIAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@H+](C/C=C/c3ccccc3OC)C2)nn1 ZINC000102061734 554873117 /nfs/dbraw/zinc/87/31/17/554873117.db2.gz SKUWPEKBLYNICG-KMQKBBRCSA-N 1 2 551.647 4.308 50 0 KIAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000102165382 554890378 /nfs/dbraw/zinc/89/03/78/554890378.db2.gz HTMAZHXYKXBGMH-UHFFFAOYSA-N 1 2 537.132 4.456 50 0 KIAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000102165382 554890376 /nfs/dbraw/zinc/89/03/76/554890376.db2.gz HTMAZHXYKXBGMH-UHFFFAOYSA-N 1 2 537.132 4.456 50 0 KIAALO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(OC2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000102198161 1064284903 /nfs/dbraw/zinc/28/49/03/1064284903.db2.gz JTPXSLSOICZEKY-SANMLTNESA-N 1 2 537.682 4.385 50 0 KIAALO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OC2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000102198161 1064284888 /nfs/dbraw/zinc/28/48/88/1064284888.db2.gz JTPXSLSOICZEKY-SANMLTNESA-N 1 2 537.682 4.385 50 0 KIAALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OC2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000102198164 1064284239 /nfs/dbraw/zinc/28/42/39/1064284239.db2.gz JTPXSLSOICZEKY-AREMUKBSSA-N 1 2 537.682 4.385 50 0 KIAALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OC2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000102198164 1064284225 /nfs/dbraw/zinc/28/42/25/1064284225.db2.gz JTPXSLSOICZEKY-AREMUKBSSA-N 1 2 537.682 4.385 50 0 KIAALO CCOC(=O)C1=C(CSc2[nH+]cnc3c2cnn3-c2ccccc2)NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000102206247 554896329 /nfs/dbraw/zinc/89/63/29/554896329.db2.gz ZEDRMSQQHHDFMD-OAQYLSRUSA-N 1 2 552.563 4.380 50 0 KIAALO CCOC(=O)C1=C(CSc2[nH+]cnc3c2cnn3-c2ccccc2)NC(=O)N[C@H]1c1ccccc1OC(F)F ZINC000102206252 554896359 /nfs/dbraw/zinc/89/63/59/554896359.db2.gz ZEDRMSQQHHDFMD-NRFANRHFSA-N 1 2 552.563 4.380 50 0 KIAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc1)c2=O ZINC000102221678 554899365 /nfs/dbraw/zinc/89/93/65/554899365.db2.gz UNHWQNPVMZQMDK-UHFFFAOYSA-N 1 2 542.661 4.288 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102232662 554900219 /nfs/dbraw/zinc/90/02/19/554900219.db2.gz ZGALCERAZSSPQX-HHHXNRCGSA-N 1 2 550.675 4.485 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102232662 554900215 /nfs/dbraw/zinc/90/02/15/554900215.db2.gz ZGALCERAZSSPQX-HHHXNRCGSA-N 1 2 550.675 4.485 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102232665 554900151 /nfs/dbraw/zinc/90/01/51/554900151.db2.gz ZGALCERAZSSPQX-MHZLTWQESA-N 1 2 550.675 4.485 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102232665 554900148 /nfs/dbraw/zinc/90/01/48/554900148.db2.gz ZGALCERAZSSPQX-MHZLTWQESA-N 1 2 550.675 4.485 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102232851 554900449 /nfs/dbraw/zinc/90/04/49/554900449.db2.gz IEIYKPVMQLMYEH-XMMPIXPASA-N 1 2 544.574 4.067 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102232851 554900445 /nfs/dbraw/zinc/90/04/45/554900445.db2.gz IEIYKPVMQLMYEH-XMMPIXPASA-N 1 2 544.574 4.067 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102232855 554900494 /nfs/dbraw/zinc/90/04/94/554900494.db2.gz IEIYKPVMQLMYEH-DEOSSOPVSA-N 1 2 544.574 4.067 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102232855 554900492 /nfs/dbraw/zinc/90/04/92/554900492.db2.gz IEIYKPVMQLMYEH-DEOSSOPVSA-N 1 2 544.574 4.067 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102232945 554900459 /nfs/dbraw/zinc/90/04/59/554900459.db2.gz KONXXBFWJUUVPT-XMMPIXPASA-N 1 2 562.564 4.206 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102232945 554900455 /nfs/dbraw/zinc/90/04/55/554900455.db2.gz KONXXBFWJUUVPT-XMMPIXPASA-N 1 2 562.564 4.206 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102232950 554900513 /nfs/dbraw/zinc/90/05/13/554900513.db2.gz KONXXBFWJUUVPT-DEOSSOPVSA-N 1 2 562.564 4.206 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102232950 554900511 /nfs/dbraw/zinc/90/05/11/554900511.db2.gz KONXXBFWJUUVPT-DEOSSOPVSA-N 1 2 562.564 4.206 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102232997 554900520 /nfs/dbraw/zinc/90/05/20/554900520.db2.gz CDPNRHUTTIEGTF-XMMPIXPASA-N 1 2 562.564 4.206 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102232997 554900519 /nfs/dbraw/zinc/90/05/19/554900519.db2.gz CDPNRHUTTIEGTF-XMMPIXPASA-N 1 2 562.564 4.206 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102233002 554900500 /nfs/dbraw/zinc/90/05/00/554900500.db2.gz CDPNRHUTTIEGTF-DEOSSOPVSA-N 1 2 562.564 4.206 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102233002 554900498 /nfs/dbraw/zinc/90/04/98/554900498.db2.gz CDPNRHUTTIEGTF-DEOSSOPVSA-N 1 2 562.564 4.206 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000102233415 554900697 /nfs/dbraw/zinc/90/06/97/554900697.db2.gz JKJBMUJPRWJAGA-XMMPIXPASA-N 1 2 562.564 4.206 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000102233415 554900694 /nfs/dbraw/zinc/90/06/94/554900694.db2.gz JKJBMUJPRWJAGA-XMMPIXPASA-N 1 2 562.564 4.206 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000102233418 554900800 /nfs/dbraw/zinc/90/08/00/554900800.db2.gz JKJBMUJPRWJAGA-DEOSSOPVSA-N 1 2 562.564 4.206 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000102233418 554900798 /nfs/dbraw/zinc/90/07/98/554900798.db2.gz JKJBMUJPRWJAGA-DEOSSOPVSA-N 1 2 562.564 4.206 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102236052 554901354 /nfs/dbraw/zinc/90/13/54/554901354.db2.gz ORBQYBHGNJPSAT-QHCPKHFHSA-N 1 2 537.488 4.231 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102236052 554901351 /nfs/dbraw/zinc/90/13/51/554901351.db2.gz ORBQYBHGNJPSAT-QHCPKHFHSA-N 1 2 537.488 4.231 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102236057 554901348 /nfs/dbraw/zinc/90/13/48/554901348.db2.gz ORBQYBHGNJPSAT-HSZRJFAPSA-N 1 2 537.488 4.231 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102236057 554901345 /nfs/dbraw/zinc/90/13/45/554901345.db2.gz ORBQYBHGNJPSAT-HSZRJFAPSA-N 1 2 537.488 4.231 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000102236298 554901669 /nfs/dbraw/zinc/90/16/69/554901669.db2.gz RQYFPHJWXUGBAP-XMMPIXPASA-N 1 2 545.467 4.355 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000102236298 554901668 /nfs/dbraw/zinc/90/16/68/554901668.db2.gz RQYFPHJWXUGBAP-XMMPIXPASA-N 1 2 545.467 4.355 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000102236302 554901692 /nfs/dbraw/zinc/90/16/92/554901692.db2.gz RQYFPHJWXUGBAP-DEOSSOPVSA-N 1 2 545.467 4.355 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000102236302 554901689 /nfs/dbraw/zinc/90/16/89/554901689.db2.gz RQYFPHJWXUGBAP-DEOSSOPVSA-N 1 2 545.467 4.355 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000102238762 554902245 /nfs/dbraw/zinc/90/22/45/554902245.db2.gz GTNUHRZTNVMWOC-QHCPKHFHSA-N 1 2 537.488 4.231 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000102238762 554902244 /nfs/dbraw/zinc/90/22/44/554902244.db2.gz GTNUHRZTNVMWOC-QHCPKHFHSA-N 1 2 537.488 4.231 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000102238766 554902278 /nfs/dbraw/zinc/90/22/78/554902278.db2.gz GTNUHRZTNVMWOC-HSZRJFAPSA-N 1 2 537.488 4.231 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000102238766 554902275 /nfs/dbraw/zinc/90/22/75/554902275.db2.gz GTNUHRZTNVMWOC-HSZRJFAPSA-N 1 2 537.488 4.231 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000102242460 554903024 /nfs/dbraw/zinc/90/30/24/554903024.db2.gz MOSRZLAKHCOGHF-SANMLTNESA-N 1 2 539.076 4.400 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000102242460 554903022 /nfs/dbraw/zinc/90/30/22/554903022.db2.gz MOSRZLAKHCOGHF-SANMLTNESA-N 1 2 539.076 4.400 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000102242467 554902978 /nfs/dbraw/zinc/90/29/78/554902978.db2.gz MOSRZLAKHCOGHF-AREMUKBSSA-N 1 2 539.076 4.400 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000102242467 554902977 /nfs/dbraw/zinc/90/29/77/554902977.db2.gz MOSRZLAKHCOGHF-AREMUKBSSA-N 1 2 539.076 4.400 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000102242518 554903011 /nfs/dbraw/zinc/90/30/11/554903011.db2.gz WLVKHINJNWRSKH-VWLOTQADSA-N 1 2 543.039 4.231 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000102242518 554903008 /nfs/dbraw/zinc/90/30/08/554903008.db2.gz WLVKHINJNWRSKH-VWLOTQADSA-N 1 2 543.039 4.231 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000102242524 554902988 /nfs/dbraw/zinc/90/29/88/554902988.db2.gz WLVKHINJNWRSKH-RUZDIDTESA-N 1 2 543.039 4.231 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000102242524 554902987 /nfs/dbraw/zinc/90/29/87/554902987.db2.gz WLVKHINJNWRSKH-RUZDIDTESA-N 1 2 543.039 4.231 50 0 KIAALO COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)[NH+]2CCCC2)cc1 ZINC000102269475 554905643 /nfs/dbraw/zinc/90/56/43/554905643.db2.gz MKZYZEDYUMEYRL-OAQYLSRUSA-N 1 2 533.444 4.450 50 0 KIAALO COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)[NH+]2CCCC2)cc1 ZINC000102269481 554905634 /nfs/dbraw/zinc/90/56/34/554905634.db2.gz MKZYZEDYUMEYRL-NRFANRHFSA-N 1 2 533.444 4.450 50 0 KIAALO CC(C)(C)c1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NCCN3CCOCC3)cc2)n1 ZINC000102315143 554911316 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50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000102938187 555166148 /nfs/dbraw/zinc/16/61/48/555166148.db2.gz RTSBBVPNBZTSCH-QFIPXVFZSA-N 1 2 554.519 4.413 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000102938189 555166161 /nfs/dbraw/zinc/16/61/61/555166161.db2.gz RTSBBVPNBZTSCH-JOCHJYFZSA-N 1 2 554.519 4.413 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000102938189 555166159 /nfs/dbraw/zinc/16/61/59/555166159.db2.gz RTSBBVPNBZTSCH-JOCHJYFZSA-N 1 2 554.519 4.413 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102938277 555166453 /nfs/dbraw/zinc/16/64/53/555166453.db2.gz KEQLUNXEJRXEBO-QFIPXVFZSA-N 1 2 540.492 4.023 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102938277 555166451 /nfs/dbraw/zinc/16/64/51/555166451.db2.gz KEQLUNXEJRXEBO-QFIPXVFZSA-N 1 2 540.492 4.023 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102938279 555166535 /nfs/dbraw/zinc/16/65/35/555166535.db2.gz KEQLUNXEJRXEBO-JOCHJYFZSA-N 1 2 540.492 4.023 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102938279 555166531 /nfs/dbraw/zinc/16/65/31/555166531.db2.gz KEQLUNXEJRXEBO-JOCHJYFZSA-N 1 2 540.492 4.023 50 0 KIAALO COc1ccc(C[N@@H+](C)Cn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n(Cc3ccc(F)cc3)c2=S)cc1 ZINC000102991226 555192415 /nfs/dbraw/zinc/19/24/15/555192415.db2.gz VMTKMDHCFZBSGB-UHFFFAOYSA-N 1 2 597.738 4.387 50 0 KIAALO COc1ccc(C[N@H+](C)Cn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n(Cc3ccc(F)cc3)c2=S)cc1 ZINC000102991226 555192413 /nfs/dbraw/zinc/19/24/13/555192413.db2.gz VMTKMDHCFZBSGB-UHFFFAOYSA-N 1 2 597.738 4.387 50 0 KIAALO CC[C@@H](C)n1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nn(C[N@@H+](C)CCc2ccc(OC)c(OC)c2)c1=S ZINC000102991528 555192726 /nfs/dbraw/zinc/19/27/26/555192726.db2.gz GHEWTSRFYKCOCL-OAQYLSRUSA-N 1 2 589.784 4.222 50 0 KIAALO CC[C@@H](C)n1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nn(C[N@H+](C)CCc2ccc(OC)c(OC)c2)c1=S ZINC000102991528 555192725 /nfs/dbraw/zinc/19/27/25/555192725.db2.gz GHEWTSRFYKCOCL-OAQYLSRUSA-N 1 2 589.784 4.222 50 0 KIAALO CC[C@H](C)n1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nn(C[N@@H+](C)CCc2ccc(OC)c(OC)c2)c1=S ZINC000102991530 555192742 /nfs/dbraw/zinc/19/27/42/555192742.db2.gz GHEWTSRFYKCOCL-NRFANRHFSA-N 1 2 589.784 4.222 50 0 KIAALO CC[C@H](C)n1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nn(C[N@H+](C)CCc2ccc(OC)c(OC)c2)c1=S ZINC000102991530 555192741 /nfs/dbraw/zinc/19/27/41/555192741.db2.gz GHEWTSRFYKCOCL-NRFANRHFSA-N 1 2 589.784 4.222 50 0 KIAALO COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2C)cc1Cl ZINC000102997451 555197030 /nfs/dbraw/zinc/19/70/30/555197030.db2.gz JHOBRUYLVCIYRD-UHFFFAOYSA-N 1 2 588.082 4.153 50 0 KIAALO Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000103003349 555202137 /nfs/dbraw/zinc/20/21/37/555202137.db2.gz WSYNTLNFBPMZFZ-SHQCIBLASA-N 1 2 559.526 4.231 50 0 KIAALO Cc1ccccc1[C@@H](OC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000103003350 555202150 /nfs/dbraw/zinc/20/21/50/555202150.db2.gz WSYNTLNFBPMZFZ-SQHAQQRYSA-N 1 2 559.526 4.231 50 0 KIAALO Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000103003352 555202140 /nfs/dbraw/zinc/20/21/40/555202140.db2.gz WSYNTLNFBPMZFZ-RPLLCQBOSA-N 1 2 559.526 4.231 50 0 KIAALO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000103003354 555202156 /nfs/dbraw/zinc/20/21/56/555202156.db2.gz WSYNTLNFBPMZFZ-IGKIAQTJSA-N 1 2 559.526 4.231 50 0 KIAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(-c4cc(OC)ccc4OC)cs3)c2)CC1 ZINC000103017928 555210476 /nfs/dbraw/zinc/21/04/76/555210476.db2.gz ALBYYHJLIPKKHQ-UHFFFAOYSA-N 1 2 551.090 4.059 50 0 KIAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)c2)CC1 ZINC000103019812 555211276 /nfs/dbraw/zinc/21/12/76/555211276.db2.gz FFLLJWQJYYATOG-UHFFFAOYSA-N 1 2 527.018 4.320 50 0 KIAALO CCC(=O)N1CCc2ccc(OCc3nc(C(=O)N4CC[NH+](CCOC)CC4)cs3)cc2[C@@H]1c1ccc(C)cc1 ZINC000103020482 555211709 /nfs/dbraw/zinc/21/17/09/555211709.db2.gz DGHAYRQSIZIQBH-PMERELPUSA-N 1 2 562.736 4.319 50 0 KIAALO CCC(=O)N1CCc2ccc(OCc3nc(C(=O)N4CC[NH+](CCOC)CC4)cs3)cc2[C@H]1c1ccc(C)cc1 ZINC000103020484 555211702 /nfs/dbraw/zinc/21/17/02/555211702.db2.gz DGHAYRQSIZIQBH-SSEXGKCCSA-N 1 2 562.736 4.319 50 0 KIAALO COc1ccc(NC(=O)c2c3c(sc2NC(=O)c2cccc(S(=O)(=O)N4CC[NH+](C)CC4)c2)CCCC3)cc1 ZINC000103021690 555213038 /nfs/dbraw/zinc/21/30/38/555213038.db2.gz IAKPGZKMDYFWTQ-UHFFFAOYSA-N 1 2 568.721 4.076 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c2cccc(OC)c2)cc1 ZINC000103022140 555213292 /nfs/dbraw/zinc/21/32/92/555213292.db2.gz BZSKHMFXPWPYHM-GDLZYMKVSA-N 1 2 548.636 4.215 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c2cccc(OC)c2)cc1 ZINC000103022144 555213286 /nfs/dbraw/zinc/21/32/86/555213286.db2.gz BZSKHMFXPWPYHM-LJAQVGFWSA-N 1 2 548.636 4.215 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC(F)F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103024939 555215199 /nfs/dbraw/zinc/21/51/99/555215199.db2.gz VVRRAAGAGREMMR-HHHXNRCGSA-N 1 2 590.645 4.348 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC(F)F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103024944 555215280 /nfs/dbraw/zinc/21/52/80/555215280.db2.gz VVRRAAGAGREMMR-MHZLTWQESA-N 1 2 590.645 4.348 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103024953 555215209 /nfs/dbraw/zinc/21/52/09/555215209.db2.gz SRQATLHVOSGOTK-HHHXNRCGSA-N 1 2 590.645 4.348 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103024958 555215259 /nfs/dbraw/zinc/21/52/59/555215259.db2.gz SRQATLHVOSGOTK-MHZLTWQESA-N 1 2 590.645 4.348 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)c2cccc(OC)c2)cc1 ZINC000103024972 555215270 /nfs/dbraw/zinc/21/52/70/555215270.db2.gz XDCBZQJAWGRBPF-NDEPHWFRSA-N 1 2 568.692 4.063 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)c2cccc(OC)c2)cc1 ZINC000103024977 555215289 /nfs/dbraw/zinc/21/52/89/555215289.db2.gz XDCBZQJAWGRBPF-MUUNZHRXSA-N 1 2 568.692 4.063 50 0 KIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCN3C(=O)S/C(=C/c4ccc(OC)c(OC)c4)C3=O)c2C1 ZINC000103025453 555215684 /nfs/dbraw/zinc/21/56/84/555215684.db2.gz FLZQSJLURIQHEV-PCLIKHOPSA-N 1 2 546.649 4.096 50 0 KIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCN3C(=O)S/C(=C/c4ccc(OC)c(OC)c4)C3=O)c2C1 ZINC000103025453 555215681 /nfs/dbraw/zinc/21/56/81/555215681.db2.gz FLZQSJLURIQHEV-PCLIKHOPSA-N 1 2 546.649 4.096 50 0 KIAALO O=C(CCCNC(=O)OCc1ccccc1)N1CC[NH+](Cc2cccc(-c3noc(-c4cccnc4)n3)c2)CC1 ZINC000103025986 555215858 /nfs/dbraw/zinc/21/58/58/555215858.db2.gz VRKXRLXUUPSJOE-UHFFFAOYSA-N 1 2 540.624 4.149 50 0 KIAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)c2)CC1 ZINC000103026656 555216544 /nfs/dbraw/zinc/21/65/44/555216544.db2.gz QHSIRVGXXKQXHC-UHFFFAOYSA-N 1 2 527.018 4.320 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103030399 555218586 /nfs/dbraw/zinc/21/85/86/555218586.db2.gz LYMVAEAKDDFVRP-MUUNZHRXSA-N 1 2 536.600 4.345 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103030402 555218624 /nfs/dbraw/zinc/21/86/24/555218624.db2.gz LYMVAEAKDDFVRP-NDEPHWFRSA-N 1 2 536.600 4.345 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103031475 555219349 /nfs/dbraw/zinc/21/93/49/555219349.db2.gz HRIONLBGIUCRFW-HHHXNRCGSA-N 1 2 559.084 4.400 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103031478 555219344 /nfs/dbraw/zinc/21/93/44/555219344.db2.gz HRIONLBGIUCRFW-MHZLTWQESA-N 1 2 559.084 4.400 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103031797 555219631 /nfs/dbraw/zinc/21/96/31/555219631.db2.gz WBBSBRLOQFRYPL-NDEPHWFRSA-N 1 2 556.656 4.194 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103031799 555219481 /nfs/dbraw/zinc/21/94/81/555219481.db2.gz WBBSBRLOQFRYPL-MUUNZHRXSA-N 1 2 556.656 4.194 50 0 KIAALO COC(=O)c1sccc1S(=O)(=O)N1CC[NH+](C[C@H](OCc2cccc(OC)c2)c2ccc(Cl)cc2)CC1 ZINC000103032402 555219858 /nfs/dbraw/zinc/21/98/58/555219858.db2.gz FFPGNLIMKSAGRR-QHCPKHFHSA-N 1 2 565.113 4.461 50 0 KIAALO COC(=O)c1sccc1S(=O)(=O)N1CC[NH+](C[C@@H](OCc2cccc(OC)c2)c2ccc(Cl)cc2)CC1 ZINC000103032404 555220182 /nfs/dbraw/zinc/22/01/82/555220182.db2.gz FFPGNLIMKSAGRR-HSZRJFAPSA-N 1 2 565.113 4.461 50 0 KIAALO CC[NH+]1CCN(C2=C(c3c(=O)n(-c4ccc(Cl)cc4)[nH]c3C(C)C)C(=O)N(c3ccc(OC)cc3OC)C2=O)CC1 ZINC000103032949 555220451 /nfs/dbraw/zinc/22/04/51/555220451.db2.gz YOFMSAJEHTVWJA-UHFFFAOYSA-N 1 2 580.085 4.294 50 0 KIAALO COc1ccc(CCN2C(=O)[C@@H](CC(C)C)[NH2+]C23CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC3)cc1OC ZINC000103035908 555222955 /nfs/dbraw/zinc/22/29/55/555222955.db2.gz FKXXWHDWVRYOQT-HSZRJFAPSA-N 1 2 583.673 4.293 50 0 KIAALO COc1ccc(CCN2C(=O)[C@H](CC(C)C)[NH2+]C23CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC3)cc1OC ZINC000103035912 555222925 /nfs/dbraw/zinc/22/29/25/555222925.db2.gz FKXXWHDWVRYOQT-QHCPKHFHSA-N 1 2 583.673 4.293 50 0 KIAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C(C)C)c2)CC1 ZINC000103038345 555223910 /nfs/dbraw/zinc/22/39/10/555223910.db2.gz VHNGSCAKUPVWSE-UHFFFAOYSA-N 1 2 566.511 4.420 50 0 KIAALO O=C(NCCN1CCOCC1)c1coc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000103039224 555224101 /nfs/dbraw/zinc/22/41/01/555224101.db2.gz GGQOZQVZYCGUMJ-UHFFFAOYSA-N 1 2 555.601 4.482 50 0 KIAALO O=C(NCCN1CCOCC1)c1coc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000103039224 555224098 /nfs/dbraw/zinc/22/40/98/555224098.db2.gz GGQOZQVZYCGUMJ-UHFFFAOYSA-N 1 2 555.601 4.482 50 0 KIAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)CCN(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000103044249 555227304 /nfs/dbraw/zinc/22/73/04/555227304.db2.gz PHBXXFSXYWYWEH-UHFFFAOYSA-N 1 2 551.709 4.250 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103044962 555227679 /nfs/dbraw/zinc/22/76/79/555227679.db2.gz FSIJFGCCTYCRJK-HHHXNRCGSA-N 1 2 560.619 4.024 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103044963 555227703 /nfs/dbraw/zinc/22/77/03/555227703.db2.gz FSIJFGCCTYCRJK-MHZLTWQESA-N 1 2 560.619 4.024 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc4nonc4c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103045656 555227980 /nfs/dbraw/zinc/22/79/80/555227980.db2.gz JLLLAFKKEUNROB-SANMLTNESA-N 1 2 535.000 4.379 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc4nonc4c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103045659 555227859 /nfs/dbraw/zinc/22/78/59/555227859.db2.gz JLLLAFKKEUNROB-AREMUKBSSA-N 1 2 535.000 4.379 50 0 KIAALO O=C(CN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1 ZINC000103045696 555227988 /nfs/dbraw/zinc/22/79/88/555227988.db2.gz MCNUTQCDUGSOTP-UHFFFAOYSA-N 1 2 541.627 4.020 50 0 KIAALO COc1ccc(CCN(C)c2nc(SCc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)[nH+]c(C)c2C)cc1OC ZINC000103048532 555230196 /nfs/dbraw/zinc/23/01/96/555230196.db2.gz UFPJASPNVVCRFC-UHFFFAOYSA-N 1 2 577.751 4.386 50 0 KIAALO CC(=O)N1CCN(C(=O)c2ccc(CSc3nc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)cc(C)[nH+]3)o2)CC1 ZINC000103049736 555231945 /nfs/dbraw/zinc/23/19/45/555231945.db2.gz QNMFDRJZYKTMCY-UHFFFAOYSA-N 1 2 588.656 4.320 50 0 KIAALO COc1ccc(CCN(C)c2cc(C)[nH+]c(SCc3cccc(C(=O)N4CCN(C(C)=O)CC4)c3)n2)cc1OC ZINC000103049833 555231948 /nfs/dbraw/zinc/23/19/48/555231948.db2.gz XQVAEHXHYGQOJW-UHFFFAOYSA-N 1 2 563.724 4.078 50 0 KIAALO Cc1cc(C)cc(Oc2cnn(-c3ccccc3)c(=O)c2Nc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)c1 ZINC000103049874 555231931 /nfs/dbraw/zinc/23/19/31/555231931.db2.gz KGCZJSQRBBEGTP-UHFFFAOYSA-N 1 2 539.636 4.447 50 0 KIAALO CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CC[NH+](CCOC)CC4)o3)cc2[C@@H]1c1ccc(C)cc1 ZINC000103050582 555233013 /nfs/dbraw/zinc/23/30/13/555233013.db2.gz JLRYCDHJDXGJNC-HKBQPEDESA-N 1 2 545.680 4.455 50 0 KIAALO CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CC[NH+](CCOC)CC4)o3)cc2[C@H]1c1ccc(C)cc1 ZINC000103050584 555233027 /nfs/dbraw/zinc/23/30/27/555233027.db2.gz JLRYCDHJDXGJNC-WJOKGBTCSA-N 1 2 545.680 4.455 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000103052006 555234132 /nfs/dbraw/zinc/23/41/32/555234132.db2.gz SAUAPHOQGNZURQ-WTYVLRPYSA-N 1 2 510.656 4.487 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000103052006 555234131 /nfs/dbraw/zinc/23/41/31/555234131.db2.gz SAUAPHOQGNZURQ-WTYVLRPYSA-N 1 2 510.656 4.487 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000103052009 555234143 /nfs/dbraw/zinc/23/41/43/555234143.db2.gz SAUAPHOQGNZURQ-MMTVBGGISA-N 1 2 510.656 4.487 50 0 KIAALO COc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000103052009 555234142 /nfs/dbraw/zinc/23/41/42/555234142.db2.gz SAUAPHOQGNZURQ-MMTVBGGISA-N 1 2 510.656 4.487 50 0 KIAALO O=C(CSc1nnc(NCCC[NH+]2CCOCC2)s1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000103054026 555235788 /nfs/dbraw/zinc/23/57/88/555235788.db2.gz JSCCHNLKJBHHDA-UHFFFAOYSA-N 1 2 532.091 4.288 50 0 KIAALO COCC[NH+]1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@@H](c3ccc(C)cc3)N(C(=O)C3CC3)CC4)o2)CC1 ZINC000103054576 555236057 /nfs/dbraw/zinc/23/60/57/555236057.db2.gz GTDCGHPWNJNHDB-WJOKGBTCSA-N 1 2 557.691 4.455 50 0 KIAALO COCC[NH+]1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@H](c3ccc(C)cc3)N(C(=O)C3CC3)CC4)o2)CC1 ZINC000103054578 555236363 /nfs/dbraw/zinc/23/63/63/555236363.db2.gz GTDCGHPWNJNHDB-HKBQPEDESA-N 1 2 557.691 4.455 50 0 KIAALO Cc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NCc3cccnc3)o2)n1 ZINC000103066039 555246526 /nfs/dbraw/zinc/24/65/26/555246526.db2.gz PQENTUVLMIVGNZ-UHFFFAOYSA-N 1 2 558.664 4.046 50 0 KIAALO CC[N@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)c23)C1 ZINC000103072730 555252682 /nfs/dbraw/zinc/25/26/82/555252682.db2.gz UKTJMTXNLFVDHC-UHFFFAOYSA-N 1 2 551.713 4.310 50 0 KIAALO CC[N@@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)c23)C1 ZINC000103072730 555252681 /nfs/dbraw/zinc/25/26/81/555252681.db2.gz UKTJMTXNLFVDHC-UHFFFAOYSA-N 1 2 551.713 4.310 50 0 KIAALO COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCOCC2)cc1 ZINC000103072861 555252675 /nfs/dbraw/zinc/25/26/75/555252675.db2.gz YQNHFMGFZSMTFX-UHFFFAOYSA-N 1 2 587.702 4.111 50 0 KIAALO COC(=O)c1sccc1S(=O)(=O)N1CC[NH+](C[C@H](OCc2ccc(C)cc2)c2cccc(OC)c2)CC1 ZINC000103084029 555262797 /nfs/dbraw/zinc/26/27/97/555262797.db2.gz NHSNVLGHGXPOKO-DEOSSOPVSA-N 1 2 544.695 4.116 50 0 KIAALO COC(=O)c1sccc1S(=O)(=O)N1CC[NH+](C[C@@H](OCc2ccc(C)cc2)c2cccc(OC)c2)CC1 ZINC000103084031 555262802 /nfs/dbraw/zinc/26/28/02/555262802.db2.gz NHSNVLGHGXPOKO-XMMPIXPASA-N 1 2 544.695 4.116 50 0 KIAALO COc1cccc(COc2coc(C[N@H+]3CCCN(C(=O)c4ccccc4OC(F)(F)F)CC3)cc2=O)c1 ZINC000103085222 555263828 /nfs/dbraw/zinc/26/38/28/555263828.db2.gz ZUKUKLBUILAAOV-UHFFFAOYSA-N 1 2 532.515 4.474 50 0 KIAALO COc1cccc(COc2coc(C[N@@H+]3CCCN(C(=O)c4ccccc4OC(F)(F)F)CC3)cc2=O)c1 ZINC000103085222 555263825 /nfs/dbraw/zinc/26/38/25/555263825.db2.gz ZUKUKLBUILAAOV-UHFFFAOYSA-N 1 2 532.515 4.474 50 0 KIAALO COc1cccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)c2ccc(Cl)cc2)c1 ZINC000103100469 555277888 /nfs/dbraw/zinc/27/78/88/555277888.db2.gz LIXOFYMPWXSYIQ-QHCPKHFHSA-N 1 2 553.512 4.308 50 0 KIAALO COc1cccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)c2ccc(Cl)cc2)c1 ZINC000103100473 555278245 /nfs/dbraw/zinc/27/82/45/555278245.db2.gz LIXOFYMPWXSYIQ-HSZRJFAPSA-N 1 2 553.512 4.308 50 0 KIAALO O=C(COC(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)Nc1ccc(Cl)cc1Cl ZINC000103101282 555278661 /nfs/dbraw/zinc/27/86/61/555278661.db2.gz NZBOJFUZTDZHAX-UHFFFAOYSA-N 1 2 562.475 4.295 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccnc3SC)CC2)c2cccc(OC)c2)cc1 ZINC000103104140 555281586 /nfs/dbraw/zinc/28/15/86/555281586.db2.gz ZEHJYDUGOCSURJ-AREMUKBSSA-N 1 2 535.666 4.315 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccnc3SC)CC2)c2cccc(OC)c2)cc1 ZINC000103104143 555281682 /nfs/dbraw/zinc/28/16/82/555281682.db2.gz ZEHJYDUGOCSURJ-SANMLTNESA-N 1 2 535.666 4.315 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Nc3ccccc3C(=O)OC)CC2)c2cccc(OC)c2)cc1 ZINC000103104303 555281695 /nfs/dbraw/zinc/28/16/95/555281695.db2.gz GYXAJWZXXDPIGT-MUUNZHRXSA-N 1 2 561.635 4.376 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Nc3ccccc3C(=O)OC)CC2)c2cccc(OC)c2)cc1 ZINC000103104306 555281625 /nfs/dbraw/zinc/28/16/25/555281625.db2.gz GYXAJWZXXDPIGT-NDEPHWFRSA-N 1 2 561.635 4.376 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103104347 555281556 /nfs/dbraw/zinc/28/15/56/555281556.db2.gz IWONBYMYISEQLY-HHHXNRCGSA-N 1 2 559.084 4.400 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103104352 555281658 /nfs/dbraw/zinc/28/16/58/555281658.db2.gz IWONBYMYISEQLY-MHZLTWQESA-N 1 2 559.084 4.400 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000103104357 555281801 /nfs/dbraw/zinc/28/18/01/555281801.db2.gz BTJRFSFYGPTNES-MHZLTWQESA-N 1 2 556.656 4.194 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000103104359 555281805 /nfs/dbraw/zinc/28/18/05/555281805.db2.gz BTJRFSFYGPTNES-HHHXNRCGSA-N 1 2 556.656 4.194 50 0 KIAALO CC[C@@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121434 555290434 /nfs/dbraw/zinc/29/04/34/555290434.db2.gz URPJUTQUPKXOKW-DEOSSOPVSA-N 1 2 556.758 4.245 50 0 KIAALO CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121440 555290517 /nfs/dbraw/zinc/29/05/17/555290517.db2.gz URPJUTQUPKXOKW-XMMPIXPASA-N 1 2 556.758 4.245 50 0 KIAALO CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121455 555290508 /nfs/dbraw/zinc/29/05/08/555290508.db2.gz DLQSJCFHISRHQV-CVDCTZTESA-N 1 2 544.747 4.145 50 0 KIAALO CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121458 555290538 /nfs/dbraw/zinc/29/05/38/555290538.db2.gz DLQSJCFHISRHQV-WMZHIEFXSA-N 1 2 544.747 4.145 50 0 KIAALO CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121462 555290674 /nfs/dbraw/zinc/29/06/74/555290674.db2.gz DLQSJCFHISRHQV-XXBNENTESA-N 1 2 544.747 4.145 50 0 KIAALO CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121465 555290752 /nfs/dbraw/zinc/29/07/52/555290752.db2.gz DLQSJCFHISRHQV-AUSIDOKSSA-N 1 2 544.747 4.145 50 0 KIAALO CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121519 555290693 /nfs/dbraw/zinc/29/06/93/555290693.db2.gz VLPJLWURXJBHLE-RDPSFJRHSA-N 1 2 556.758 4.243 50 0 KIAALO CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121522 555290722 /nfs/dbraw/zinc/29/07/22/555290722.db2.gz VLPJLWURXJBHLE-GBXCKJPGSA-N 1 2 556.758 4.243 50 0 KIAALO CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121524 555290698 /nfs/dbraw/zinc/29/06/98/555290698.db2.gz VLPJLWURXJBHLE-YKSBVNFPSA-N 1 2 556.758 4.243 50 0 KIAALO CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121527 555290704 /nfs/dbraw/zinc/29/07/04/555290704.db2.gz VLPJLWURXJBHLE-HYBUGGRVSA-N 1 2 556.758 4.243 50 0 KIAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000103172055 555325682 /nfs/dbraw/zinc/32/56/82/555325682.db2.gz DEWAFZQLJACJLL-LJAQVGFWSA-N 1 2 540.682 4.285 50 0 KIAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000103172058 555325698 /nfs/dbraw/zinc/32/56/98/555325698.db2.gz DEWAFZQLJACJLL-GDLZYMKVSA-N 1 2 540.682 4.285 50 0 KIAALO CCOCCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000103201079 555337223 /nfs/dbraw/zinc/33/72/23/555337223.db2.gz MPWYOGPHKZQVEE-PMERELPUSA-N 1 2 556.663 4.366 50 0 KIAALO CCOCCCN1C(=O)c2ccccc2[C@@H]1Nc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000103201083 555337253 /nfs/dbraw/zinc/33/72/53/555337253.db2.gz MPWYOGPHKZQVEE-SSEXGKCCSA-N 1 2 556.663 4.366 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c2cccc(OC)c2)cc1 ZINC000103204425 555338543 /nfs/dbraw/zinc/33/85/43/555338543.db2.gz YJTUJKWUBDMXLZ-AREMUKBSSA-N 1 2 559.084 4.400 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c2cccc(OC)c2)cc1 ZINC000103204429 555338591 /nfs/dbraw/zinc/33/85/91/555338591.db2.gz YJTUJKWUBDMXLZ-SANMLTNESA-N 1 2 559.084 4.400 50 0 KIAALO CN(C)c1nc(N2CCN(c3ccc(F)cc3)CC2)[nH+]c2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000103208078 555339011 /nfs/dbraw/zinc/33/90/11/555339011.db2.gz YBASLIZBLZAIDD-UHFFFAOYSA-N 1 2 528.554 4.226 50 0 KIAALO CN(C)c1nc(N2CCN(c3ccc(F)cc3)CC2)[nH+]c2c1CN(C(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000103208090 555339065 /nfs/dbraw/zinc/33/90/65/555339065.db2.gz JJDJHDMATYQZCH-UHFFFAOYSA-N 1 2 528.554 4.226 50 0 KIAALO COCC[NH+]1CCN(C(=O)c2csc(COc3ccc4c(c3)[C@H](c3ccccc3)N(C(=O)C(C)C)CC4)n2)CC1 ZINC000103220560 555340680 /nfs/dbraw/zinc/34/06/80/555340680.db2.gz NXZGMPMZHQJODQ-LJAQVGFWSA-N 1 2 562.736 4.256 50 0 KIAALO COCC[NH+]1CCN(C(=O)c2csc(COc3ccc4c(c3)[C@@H](c3ccccc3)N(C(=O)C(C)C)CC4)n2)CC1 ZINC000103220562 555341086 /nfs/dbraw/zinc/34/10/86/555341086.db2.gz NXZGMPMZHQJODQ-GDLZYMKVSA-N 1 2 562.736 4.256 50 0 KIAALO Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC[NH+]2CCOCC2)C(=O)Cc2ccccc2)cc1F ZINC000103252809 555344489 /nfs/dbraw/zinc/34/44/89/555344489.db2.gz HVRYDYMGEDKZRF-UHFFFAOYSA-N 1 2 555.654 4.329 50 0 KIAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103257532 555346029 /nfs/dbraw/zinc/34/60/29/555346029.db2.gz VLCLTLJFCZWQMT-MHZLTWQESA-N 1 2 559.084 4.400 50 0 KIAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103257535 555346013 /nfs/dbraw/zinc/34/60/13/555346013.db2.gz VLCLTLJFCZWQMT-HHHXNRCGSA-N 1 2 559.084 4.400 50 0 KIAALO Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC[NH+]3CCOCC3)C(=O)Cc3ccccc3)n2)cc1 ZINC000103268822 555348090 /nfs/dbraw/zinc/34/80/90/555348090.db2.gz VHNCKHPWSCOWSK-UHFFFAOYSA-N 1 2 551.691 4.498 50 0 KIAALO COc1ccc(-c2cn(-c3ccc(F)cc3)c(NC(=O)CN(CC[NH+]3CCOCC3)C(=O)Cc3ccccc3)n2)cc1 ZINC000103268839 555348230 /nfs/dbraw/zinc/34/82/30/555348230.db2.gz RVQDTIGQJWZVJF-UHFFFAOYSA-N 1 2 571.653 4.029 50 0 KIAALO Cc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)c1 ZINC000103271321 555349021 /nfs/dbraw/zinc/34/90/21/555349021.db2.gz MYPAOILDOIQCHW-HHHXNRCGSA-N 1 2 531.682 4.047 50 0 KIAALO Cc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)c1 ZINC000103271324 555349098 /nfs/dbraw/zinc/34/90/98/555349098.db2.gz MYPAOILDOIQCHW-MHZLTWQESA-N 1 2 531.682 4.047 50 0 KIAALO O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1 ZINC000103295521 555354207 /nfs/dbraw/zinc/35/42/07/555354207.db2.gz INGICQPFBYLCRN-UHFFFAOYSA-N 1 2 561.901 4.015 50 0 KIAALO CN(C)c1nc(N2CCN(c3ccccc3F)CC2)[nH+]c2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000103297318 555355122 /nfs/dbraw/zinc/35/51/22/555355122.db2.gz XEPYFADOJSGAET-UHFFFAOYSA-N 1 2 528.554 4.226 50 0 KIAALO COCC[NH+]1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@H](c3ccccc3)N(C(=O)C(C)C)CC4)o2)CC1 ZINC000103297954 555355154 /nfs/dbraw/zinc/35/51/54/555355154.db2.gz CIGYIJSFRWQGJK-PMERELPUSA-N 1 2 545.680 4.393 50 0 KIAALO 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CC[N@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(S(=O)(=O)c5ccccc5)CC4)c23)C1 ZINC000103429623 555411963 /nfs/dbraw/zinc/41/19/63/555411963.db2.gz KGONQNUEKSUUDK-UHFFFAOYSA-N 1 2 533.723 4.171 50 0 KIAALO CC[N@@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(S(=O)(=O)c5ccccc5)CC4)c23)C1 ZINC000103429623 555411960 /nfs/dbraw/zinc/41/19/60/555411960.db2.gz KGONQNUEKSUUDK-UHFFFAOYSA-N 1 2 533.723 4.171 50 0 KIAALO O=C(NC1CCN(c2ccccc2C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000103434209 555416674 /nfs/dbraw/zinc/41/66/74/555416674.db2.gz YUKGQGWJSDROJC-UHFFFAOYSA-N 1 2 537.586 4.462 50 0 KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cccc4Cl)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000103529909 555430360 /nfs/dbraw/zinc/43/03/60/555430360.db2.gz FBXPYRVZIYTUAF-JPMCIAIQSA-N 1 2 574.033 4.380 50 0 KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cccc4Cl)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000103529909 555430359 /nfs/dbraw/zinc/43/03/59/555430359.db2.gz FBXPYRVZIYTUAF-JPMCIAIQSA-N 1 2 574.033 4.380 50 0 KIAALO COC(=O)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)cc1 ZINC000103801022 555481823 /nfs/dbraw/zinc/48/18/23/555481823.db2.gz ZUGRWZIEVLLYJC-UHFFFAOYSA-N 1 2 603.726 4.454 50 0 KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104087466 571373459 /nfs/dbraw/zinc/37/34/59/571373459.db2.gz GNVOSTVXFDIHMN-JYICUVCFSA-N 1 2 574.033 4.380 50 0 KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104087466 571373457 /nfs/dbraw/zinc/37/34/57/571373457.db2.gz GNVOSTVXFDIHMN-JYICUVCFSA-N 1 2 574.033 4.380 50 0 KIAALO Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CC[NH+]([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)C3)ccc21 ZINC000104799306 571386340 /nfs/dbraw/zinc/38/63/40/571386340.db2.gz WCYPBDBGENCHJG-FUFSCUOVSA-N 1 2 609.148 4.119 50 0 KIAALO 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DALJTDYHJZCCME-BXTSTYNKSA-N 1 2 503.643 4.309 50 0 KIAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000105150745 571391715 /nfs/dbraw/zinc/39/17/15/571391715.db2.gz DALJTDYHJZCCME-BXTSTYNKSA-N 1 2 503.643 4.309 50 0 KIAALO Cn1ccc2cc(NC(=O)C3(N(CCCn4cc[nH+]c4)C(=O)CN4C(=O)c5ccccc5C4=O)CCCCC3)ccc21 ZINC000105766712 571408419 /nfs/dbraw/zinc/40/84/19/571408419.db2.gz YXKUNRMYQKDRLM-UHFFFAOYSA-N 1 2 566.662 4.231 50 0 KIAALO O=C1[C@H]2[C@@H](/C=C/c3ccccc3)[N@@H+]3CSC[C@@H]3[C@@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000106336495 571412015 /nfs/dbraw/zinc/41/20/15/571412015.db2.gz WIPJGEKYWVMRKE-GDFACCDQSA-N 1 2 522.980 4.237 50 0 KIAALO O=C1[C@H]2[C@@H](/C=C/c3ccccc3)[N@H+]3CSC[C@@H]3[C@@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000106336495 571412014 /nfs/dbraw/zinc/41/20/14/571412014.db2.gz WIPJGEKYWVMRKE-GDFACCDQSA-N 1 2 522.980 4.237 50 0 KIAALO O=C1[C@H]2[C@H]3CSC[N@H+]3[C@@H](/C=C/c3ccccc3)[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000106336497 571411988 /nfs/dbraw/zinc/41/19/88/571411988.db2.gz WIPJGEKYWVMRKE-VDTUGAGFSA-N 1 2 522.980 4.237 50 0 KIAALO O=C1[C@H]2[C@H]3CSC[N@@H+]3[C@@H](/C=C/c3ccccc3)[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000106336497 571411987 /nfs/dbraw/zinc/41/19/87/571411987.db2.gz WIPJGEKYWVMRKE-VDTUGAGFSA-N 1 2 522.980 4.237 50 0 KIAALO O=C1[C@@H]2[C@@H](C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CSC[N@H+]1[C@H]2/C=C/c1ccccc1 ZINC000106336500 571411997 /nfs/dbraw/zinc/41/19/97/571411997.db2.gz WIPJGEKYWVMRKE-LQPOBXRRSA-N 1 2 522.980 4.237 50 0 KIAALO O=C1[C@@H]2[C@@H](C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CSC[N@@H+]1[C@H]2/C=C/c1ccccc1 ZINC000106336500 571411995 /nfs/dbraw/zinc/41/19/95/571411995.db2.gz WIPJGEKYWVMRKE-LQPOBXRRSA-N 1 2 522.980 4.237 50 0 KIAALO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 ZINC000106341010 571412017 /nfs/dbraw/zinc/41/20/17/571412017.db2.gz QVEVVQKWXCVXAN-GOIZPCHYSA-N 1 2 538.522 4.319 50 0 KIAALO C[NH+]1CCN(C(=O)C[C@H](c2cc3ccccc3[nH]c2=O)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000108447584 571423745 /nfs/dbraw/zinc/42/37/45/571423745.db2.gz IIJUXCHFDCTCAH-OAQYLSRUSA-N 1 2 551.599 4.009 50 0 biogenic KIAALO C[NH+]1CCN(C(=O)C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000108447586 571423792 /nfs/dbraw/zinc/42/37/92/571423792.db2.gz IIJUXCHFDCTCAH-NRFANRHFSA-N 1 2 551.599 4.009 50 0 biogenic KIAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447631 571423771 /nfs/dbraw/zinc/42/37/71/571423771.db2.gz OJRURWWLECPEGU-IINUCZPTSA-N 1 2 626.754 4.133 50 0 biogenic KIAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450291 571425177 /nfs/dbraw/zinc/42/51/77/571425177.db2.gz WKUJBOJPWPEQLC-DWACAAAGSA-N 1 2 614.743 4.008 50 0 biogenic KIAALO COc1ccc2[nH]c(=O)c([C@H](CC(=O)N3CC[NH+](C)CC3)c3c(O)cc(=O)c4c(O)cc(-c5ccccc5)oc3-4)cc2c1 ZINC000108450618 571425310 /nfs/dbraw/zinc/42/53/10/571425310.db2.gz RYVQUCPUCSYNBC-QFIPXVFZSA-N 1 2 581.625 4.017 50 0 biogenic KIAALO COc1ccc2[nH]c(=O)c([C@@H](CC(=O)N3CC[NH+](C)CC3)c3c(O)cc(=O)c4c(O)cc(-c5ccccc5)oc3-4)cc2c1 ZINC000108450620 571425261 /nfs/dbraw/zinc/42/52/61/571425261.db2.gz RYVQUCPUCSYNBC-JOCHJYFZSA-N 1 2 581.625 4.017 50 0 biogenic KIAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451204 571425717 /nfs/dbraw/zinc/42/57/17/571425717.db2.gz FCSYSDFJBWBCOC-IEWVHIKDSA-N 1 2 629.758 4.043 50 0 biogenic KIAALO C[C@H](Sc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000108949485 571427850 /nfs/dbraw/zinc/42/78/50/571427850.db2.gz XOEZVZLGFRVVCM-DEJKCJRPSA-N 1 2 530.760 4.010 50 0 KIAALO O=C(COC(=O)c1ccc(N2C(=O)C[C@@H](SC(=S)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1)c1ccccc1 ZINC000113561866 571440244 /nfs/dbraw/zinc/44/02/44/571440244.db2.gz IGBVIVJTLIHQGP-HHHXNRCGSA-N 1 2 587.723 4.194 50 0 KIAALO O=C(COC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1)c1ccccc1 ZINC000113561868 571440281 /nfs/dbraw/zinc/44/02/81/571440281.db2.gz IGBVIVJTLIHQGP-MHZLTWQESA-N 1 2 587.723 4.194 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)c1nc2n(c1Cl)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000136538586 571449458 /nfs/dbraw/zinc/44/94/58/571449458.db2.gz RDWKACQCFWPBPV-LSDHHAIUSA-N 1 2 536.780 4.021 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)c1nc2n(c1Cl)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000136538637 571449496 /nfs/dbraw/zinc/44/94/96/571449496.db2.gz RDWKACQCFWPBPV-HUUCEWRRSA-N 1 2 536.780 4.021 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)c1nc2n(c1Cl)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000136538680 571449464 /nfs/dbraw/zinc/44/94/64/571449464.db2.gz RDWKACQCFWPBPV-GJZGRUSLSA-N 1 2 536.780 4.021 50 0 KIAALO O=C(NCC[NH+]1CCOCC1)c1nc2n(c1Cl)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000136538716 571449529 /nfs/dbraw/zinc/44/95/29/571449529.db2.gz RDWKACQCFWPBPV-CABCVRRESA-N 1 2 536.780 4.021 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000138051776 571450939 /nfs/dbraw/zinc/45/09/39/571450939.db2.gz MXQBCQBEMDZGGP-AVJFOWIRSA-N 1 2 502.368 4.034 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000138051776 571450938 /nfs/dbraw/zinc/45/09/38/571450938.db2.gz MXQBCQBEMDZGGP-AVJFOWIRSA-N 1 2 502.368 4.034 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000138061764 571450934 /nfs/dbraw/zinc/45/09/34/571450934.db2.gz UYIQMEONJNOALH-AVJFOWIRSA-N 1 2 502.368 4.034 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000138061764 571450933 /nfs/dbraw/zinc/45/09/33/571450933.db2.gz UYIQMEONJNOALH-AVJFOWIRSA-N 1 2 502.368 4.034 50 0 KIAALO CCc1ccc(-n2c(O)c(C(c3ccc(OC)c(C[NH+]4CCCC4)c3)c3c(=O)[nH]c(=O)n(-c4ccc(CC)cc4)c3O)c(=O)[nH]c2=O)cc1 ZINC000150439306 571497292 /nfs/dbraw/zinc/49/72/92/571497292.db2.gz GURYUXOLXJCDPX-LJAQVGFWSA-N 1 2 665.747 4.098 50 0 KIAALO CCc1ccc(-n2c(O)c(C(c3ccc(OC)c(C[NH+]4CCCC4)c3)c3c(=O)[nH]c(=O)n(-c4ccc(CC)cc4)c3O)c(=O)[nH]c2=O)cc1 ZINC000150439311 571497189 /nfs/dbraw/zinc/49/71/89/571497189.db2.gz GURYUXOLXJCDPX-GDLZYMKVSA-N 1 2 665.747 4.098 50 0 KIAALO O=S(=O)(c1ccc2c(c1)Cc1cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc1-2)N1CCN(Cc2ccccc2)CC1 ZINC000150498139 571518403 /nfs/dbraw/zinc/51/84/03/571518403.db2.gz MVOJXSFFTGWGCT-UHFFFAOYSA-N 1 2 642.847 4.271 50 0 KIAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(COC)cc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)n3)c2)C1 ZINC000150506798 571519197 /nfs/dbraw/zinc/51/91/97/571519197.db2.gz UMOHPFLHQMQDQO-HHHXNRCGSA-N 1 2 647.798 4.382 50 0 KIAALO CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(COC)cc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)n3)c2)C1 ZINC000150506800 571519187 /nfs/dbraw/zinc/51/91/87/571519187.db2.gz UMOHPFLHQMQDQO-MHZLTWQESA-N 1 2 647.798 4.382 50 0 KIAALO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000150652953 571525778 /nfs/dbraw/zinc/52/57/78/571525778.db2.gz SHKMODDLKSDRML-BXDNDUOHSA-N 1 2 643.785 4.433 50 0 KIAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653060 571525731 /nfs/dbraw/zinc/52/57/31/571525731.db2.gz CSKAUZNDQXLYOF-XCZPVHLTSA-N 1 2 661.825 4.140 50 0 KIAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653084 571525784 /nfs/dbraw/zinc/52/57/84/571525784.db2.gz DGZNEDOVVHKODX-NDEPHWFRSA-N 1 2 672.779 4.128 50 0 KIAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N3CC[NH+](CCc4ccncc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653615 571526146 /nfs/dbraw/zinc/52/61/46/571526146.db2.gz UISXCDJRPNCSDX-CDZUIXILSA-N 1 2 671.839 4.472 50 0 KIAALO COc1ccc(C[NH+]2CCN(C(=O)CCCNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)c(OC)c1OC ZINC000150653791 571526278 /nfs/dbraw/zinc/52/62/78/571526278.db2.gz DKEAKZLDZANCQT-LJAQVGFWSA-N 1 2 718.848 4.425 50 0 KIAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CC[NH+](CCc4ccncc4)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653839 571526385 /nfs/dbraw/zinc/52/63/85/571526385.db2.gz LCGQDZFXAVTXNI-DODOAAEWSA-N 1 2 657.812 4.081 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NC3CCCCC3)[C@@H](C)C2)cc1 ZINC000169677148 571554843 /nfs/dbraw/zinc/55/48/43/571554843.db2.gz MJYBBTROLMSTGB-CCLHPLFOSA-N 1 2 510.704 4.279 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NC3CCCCC3)[C@@H](C)C2)cc1 ZINC000169677148 571554842 /nfs/dbraw/zinc/55/48/42/571554842.db2.gz MJYBBTROLMSTGB-CCLHPLFOSA-N 1 2 510.704 4.279 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)cc1 ZINC000169677653 571554990 /nfs/dbraw/zinc/55/49/90/571554990.db2.gz UOQNAVWOSHNCMD-UZTOHYMASA-N 1 2 507.631 4.216 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)cc1 ZINC000169677653 571554989 /nfs/dbraw/zinc/55/49/89/571554989.db2.gz UOQNAVWOSHNCMD-UZTOHYMASA-N 1 2 507.631 4.216 50 0 KIAALO COCCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169677919 571555542 /nfs/dbraw/zinc/55/55/42/571555542.db2.gz XTEXSJNNNWJCPS-SJLPKXTDSA-N 1 2 506.068 4.041 50 0 KIAALO COCCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169677919 571555541 /nfs/dbraw/zinc/55/55/41/571555541.db2.gz XTEXSJNNNWJCPS-SJLPKXTDSA-N 1 2 506.068 4.041 50 0 KIAALO COCCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169677920 571555537 /nfs/dbraw/zinc/55/55/37/571555537.db2.gz XTEXSJNNNWJCPS-FUHWJXTLSA-N 1 2 506.068 4.041 50 0 KIAALO COCCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169677920 571555536 /nfs/dbraw/zinc/55/55/36/571555536.db2.gz XTEXSJNNNWJCPS-FUHWJXTLSA-N 1 2 506.068 4.041 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)cc1 ZINC000169678876 571556081 /nfs/dbraw/zinc/55/60/81/571556081.db2.gz IXGPLWMSPXNWEI-UZTOHYMASA-N 1 2 509.697 4.068 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)cc1 ZINC000169678876 571556080 /nfs/dbraw/zinc/55/60/80/571556080.db2.gz IXGPLWMSPXNWEI-UZTOHYMASA-N 1 2 509.697 4.068 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680869 571557128 /nfs/dbraw/zinc/55/71/28/571557128.db2.gz NMLWDZZVHKROTM-RBTNQOKQSA-N 1 2 518.683 4.147 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680869 571557126 /nfs/dbraw/zinc/55/71/26/571557126.db2.gz NMLWDZZVHKROTM-RBTNQOKQSA-N 1 2 518.683 4.147 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000169680899 571557111 /nfs/dbraw/zinc/55/71/11/571557111.db2.gz KOEJKGMMNPJCAY-RBTNQOKQSA-N 1 2 503.668 4.386 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000169680899 571557110 /nfs/dbraw/zinc/55/71/10/571557110.db2.gz KOEJKGMMNPJCAY-RBTNQOKQSA-N 1 2 503.668 4.386 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@@H](C)C2)cc1 ZINC000169680904 571557145 /nfs/dbraw/zinc/55/71/45/571557145.db2.gz LYMLPQXAGMRGBD-RBTNQOKQSA-N 1 2 503.668 4.386 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@@H](C)C2)cc1 ZINC000169680904 571557143 /nfs/dbraw/zinc/55/71/43/571557143.db2.gz LYMLPQXAGMRGBD-RBTNQOKQSA-N 1 2 503.668 4.386 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Cc3ccc(F)cc3)[C@@H](C)C2)cc1 ZINC000169681972 571557758 /nfs/dbraw/zinc/55/77/58/571557758.db2.gz FTPWPQTUEAOMGR-AFJIDDCJSA-N 1 2 521.658 4.145 50 0 KIAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Cc3ccc(F)cc3)[C@@H](C)C2)cc1 ZINC000169681972 571557757 /nfs/dbraw/zinc/55/77/57/571557757.db2.gz FTPWPQTUEAOMGR-AFJIDDCJSA-N 1 2 521.658 4.145 50 0 KIAALO COc1cccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000169681990 571557777 /nfs/dbraw/zinc/55/77/77/571557777.db2.gz LOBKSTFUBICNMD-UZTOHYMASA-N 1 2 507.631 4.216 50 0 KIAALO COc1cccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000169681990 571557776 /nfs/dbraw/zinc/55/77/76/571557776.db2.gz LOBKSTFUBICNMD-UZTOHYMASA-N 1 2 507.631 4.216 50 0 KIAALO C[C@H](Sc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000195530795 571563708 /nfs/dbraw/zinc/56/37/08/571563708.db2.gz XOEZVZLGFRVVCM-HXKBJWFLSA-N 1 2 530.760 4.010 50 0 KIAALO O=C(CSC(=S)N1CC[NH+](Cc2ccccc2)CC1)OC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000215746944 571585786 /nfs/dbraw/zinc/58/57/86/571585786.db2.gz QERYXHBQOGGAOP-UHFFFAOYSA-N 1 2 512.701 4.062 50 0 KIAALO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 ZINC000221574609 571604321 /nfs/dbraw/zinc/60/43/21/571604321.db2.gz QVEVVQKWXCVXAN-QUIZSENMSA-N 1 2 538.522 4.319 50 0 KIAALO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 ZINC000221574664 571604368 /nfs/dbraw/zinc/60/43/68/571604368.db2.gz QVEVVQKWXCVXAN-MUCKBHKGSA-N 1 2 538.522 4.319 50 0 KIAALO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 ZINC000221574724 571604397 /nfs/dbraw/zinc/60/43/97/571604397.db2.gz QVEVVQKWXCVXAN-CBUXHAPBSA-N 1 2 538.522 4.319 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930544 572145945 /nfs/dbraw/zinc/14/59/45/572145945.db2.gz DCRGXYUXOMITJD-SUWCGCSTSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930544 572145942 /nfs/dbraw/zinc/14/59/42/572145942.db2.gz DCRGXYUXOMITJD-SUWCGCSTSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930551 572146033 /nfs/dbraw/zinc/14/60/33/572146033.db2.gz DCRGXYUXOMITJD-KCXPTXFHSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930551 572146030 /nfs/dbraw/zinc/14/60/30/572146030.db2.gz DCRGXYUXOMITJD-KCXPTXFHSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930558 572145912 /nfs/dbraw/zinc/14/59/12/572145912.db2.gz DCRGXYUXOMITJD-FBAVSBLXSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930558 572145908 /nfs/dbraw/zinc/14/59/08/572145908.db2.gz DCRGXYUXOMITJD-FBAVSBLXSA-N 1 2 521.198 4.187 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000227230057 572150762 /nfs/dbraw/zinc/15/07/62/572150762.db2.gz YQMSYCAEIQLCJS-XUJYPJAKSA-N 1 2 557.990 4.227 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000227230057 572150755 /nfs/dbraw/zinc/15/07/55/572150755.db2.gz YQMSYCAEIQLCJS-XUJYPJAKSA-N 1 2 557.990 4.227 50 0 KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000229618272 572157151 /nfs/dbraw/zinc/15/71/51/572157151.db2.gz FBXPYRVZIYTUAF-KMQGBMKRSA-N 1 2 574.033 4.380 50 0 KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000229618272 572157148 /nfs/dbraw/zinc/15/71/48/572157148.db2.gz FBXPYRVZIYTUAF-KMQGBMKRSA-N 1 2 574.033 4.380 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229892169 572165490 /nfs/dbraw/zinc/16/54/90/572165490.db2.gz MXQBCQBEMDZGGP-MSZDEVHKSA-N 1 2 502.368 4.034 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229892169 572165486 /nfs/dbraw/zinc/16/54/86/572165486.db2.gz MXQBCQBEMDZGGP-MSZDEVHKSA-N 1 2 502.368 4.034 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229892661 572166027 /nfs/dbraw/zinc/16/60/27/572166027.db2.gz HVZPAEPAOHVRQZ-KCXPTXFHSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229892661 572166025 /nfs/dbraw/zinc/16/60/25/572166025.db2.gz HVZPAEPAOHVRQZ-KCXPTXFHSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229892666 572166129 /nfs/dbraw/zinc/16/61/29/572166129.db2.gz HVZPAEPAOHVRQZ-FBAVSBLXSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229892666 572166126 /nfs/dbraw/zinc/16/61/26/572166126.db2.gz HVZPAEPAOHVRQZ-FBAVSBLXSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229898183 572166718 /nfs/dbraw/zinc/16/67/18/572166718.db2.gz ZDTVFGUKJSPSJL-SUWCGCSTSA-N 1 2 510.299 4.443 50 0 KIAALO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229898183 572166715 /nfs/dbraw/zinc/16/67/15/572166715.db2.gz ZDTVFGUKJSPSJL-SUWCGCSTSA-N 1 2 510.299 4.443 50 0 KIAALO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229898189 572167400 /nfs/dbraw/zinc/16/74/00/572167400.db2.gz ZDTVFGUKJSPSJL-KCXPTXFHSA-N 1 2 510.299 4.443 50 0 KIAALO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229898189 572167394 /nfs/dbraw/zinc/16/73/94/572167394.db2.gz ZDTVFGUKJSPSJL-KCXPTXFHSA-N 1 2 510.299 4.443 50 0 KIAALO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229898194 572167255 /nfs/dbraw/zinc/16/72/55/572167255.db2.gz ZDTVFGUKJSPSJL-FBAVSBLXSA-N 1 2 510.299 4.443 50 0 KIAALO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229898194 572167250 /nfs/dbraw/zinc/16/72/50/572167250.db2.gz ZDTVFGUKJSPSJL-FBAVSBLXSA-N 1 2 510.299 4.443 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229898905 572167296 /nfs/dbraw/zinc/16/72/96/572167296.db2.gz UYIQMEONJNOALH-BOCITWAFSA-N 1 2 502.368 4.034 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229898905 572167295 /nfs/dbraw/zinc/16/72/95/572167295.db2.gz UYIQMEONJNOALH-BOCITWAFSA-N 1 2 502.368 4.034 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229900032 572167322 /nfs/dbraw/zinc/16/73/22/572167322.db2.gz CDDVJIBMDFKLEM-PBWVOLNLSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229900032 572167319 /nfs/dbraw/zinc/16/73/19/572167319.db2.gz CDDVJIBMDFKLEM-PBWVOLNLSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229900038 572167208 /nfs/dbraw/zinc/16/72/08/572167208.db2.gz CDDVJIBMDFKLEM-VXCZRNDOSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229900038 572167204 /nfs/dbraw/zinc/16/72/04/572167204.db2.gz CDDVJIBMDFKLEM-VXCZRNDOSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229900044 572167335 /nfs/dbraw/zinc/16/73/35/572167335.db2.gz CDDVJIBMDFKLEM-BREDGVMVSA-N 1 2 521.198 4.187 50 0 KIAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229900044 572167332 /nfs/dbraw/zinc/16/73/32/572167332.db2.gz CDDVJIBMDFKLEM-BREDGVMVSA-N 1 2 521.198 4.187 50 0 KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000229973932 572176151 /nfs/dbraw/zinc/17/61/51/572176151.db2.gz GNVOSTVXFDIHMN-IWENFQHWSA-N 1 2 574.033 4.380 50 0 KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000229973932 572176146 /nfs/dbraw/zinc/17/61/46/572176146.db2.gz GNVOSTVXFDIHMN-IWENFQHWSA-N 1 2 574.033 4.380 50 0 KIAALO O=C1[C@H]2[C@H](/C=C/c3ccccc3)[N@@H+]3CSC[C@H]3[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000229994542 572177000 /nfs/dbraw/zinc/17/70/00/572177000.db2.gz WIPJGEKYWVMRKE-MYOULQOHSA-N 1 2 522.980 4.237 50 0 KIAALO O=C1[C@H]2[C@H](/C=C/c3ccccc3)[N@H+]3CSC[C@H]3[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000229994542 572176997 /nfs/dbraw/zinc/17/69/97/572176997.db2.gz WIPJGEKYWVMRKE-MYOULQOHSA-N 1 2 522.980 4.237 50 0 KIAALO CC[N@@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccnc1)c1cccc(C)c1 ZINC000230069924 572182316 /nfs/dbraw/zinc/18/23/16/572182316.db2.gz HDYBRVFIWVSRQY-NSOVKSMOSA-N 1 2 516.642 4.351 50 0 KIAALO CC[N@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccnc1)c1cccc(C)c1 ZINC000230069924 572182313 /nfs/dbraw/zinc/18/23/13/572182313.db2.gz HDYBRVFIWVSRQY-NSOVKSMOSA-N 1 2 516.642 4.351 50 0 KIAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccnc1)c1cccc(C)c1 ZINC000230069934 572182407 /nfs/dbraw/zinc/18/24/07/572182407.db2.gz HDYBRVFIWVSRQY-IZLXSDGUSA-N 1 2 516.642 4.351 50 0 KIAALO CC[N@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccnc1)c1cccc(C)c1 ZINC000230069934 572182406 /nfs/dbraw/zinc/18/24/06/572182406.db2.gz HDYBRVFIWVSRQY-IZLXSDGUSA-N 1 2 516.642 4.351 50 0 KIAALO O=C(CN1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000244909645 572200808 /nfs/dbraw/zinc/20/08/08/572200808.db2.gz AOUDNPCDQDIUEX-UHFFFAOYSA-N 1 2 560.698 4.325 50 0 KIAALO O=C(C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000244909645 572200807 /nfs/dbraw/zinc/20/08/07/572200807.db2.gz AOUDNPCDQDIUEX-UHFFFAOYSA-N 1 2 560.698 4.325 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000245226509 560037236 /nfs/dbraw/zinc/03/72/36/560037236.db2.gz ZXNGDFHZTPSPQZ-UUPLDMHLSA-N 1 2 528.671 4.435 50 0 biogenic,in-vitro KIAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000245226509 560037234 /nfs/dbraw/zinc/03/72/34/560037234.db2.gz ZXNGDFHZTPSPQZ-UUPLDMHLSA-N 1 2 528.671 4.435 50 0 biogenic,in-vitro KIAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000245226510 560037205 /nfs/dbraw/zinc/03/72/05/560037205.db2.gz ZXNGDFHZTPSPQZ-VRKFOXNMSA-N 1 2 528.671 4.435 50 0 biogenic,in-vitro KIAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000245226510 560037203 /nfs/dbraw/zinc/03/72/03/560037203.db2.gz ZXNGDFHZTPSPQZ-VRKFOXNMSA-N 1 2 528.671 4.435 50 0 biogenic,in-vitro KIAALO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000245236957 572210564 /nfs/dbraw/zinc/21/05/64/572210564.db2.gz XEJNSOFKQFABCY-ALKXEMMNSA-N 1 2 571.674 4.172 50 0 KIAALO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000245236958 572210693 /nfs/dbraw/zinc/21/06/93/572210693.db2.gz XEJNSOFKQFABCY-YUXUKGBOSA-N 1 2 571.674 4.172 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000245242272 562881536 /nfs/dbraw/zinc/88/15/36/562881536.db2.gz UELADTJVDCZMTL-IUGBQFMMSA-N 1 2 516.660 4.476 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000245242272 562881535 /nfs/dbraw/zinc/88/15/35/562881535.db2.gz UELADTJVDCZMTL-IUGBQFMMSA-N 1 2 516.660 4.476 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc(OC)ccc1OC ZINC000245242273 562881539 /nfs/dbraw/zinc/88/15/39/562881539.db2.gz UELADTJVDCZMTL-NFCJYOSASA-N 1 2 516.660 4.476 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc(OC)ccc1OC ZINC000245242273 562881538 /nfs/dbraw/zinc/88/15/38/562881538.db2.gz UELADTJVDCZMTL-NFCJYOSASA-N 1 2 516.660 4.476 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)ccc1OC ZINC000245242274 562881543 /nfs/dbraw/zinc/88/15/43/562881543.db2.gz UELADTJVDCZMTL-ZJSFPPFMSA-N 1 2 516.660 4.476 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)ccc1OC ZINC000245242274 562881542 /nfs/dbraw/zinc/88/15/42/562881542.db2.gz UELADTJVDCZMTL-ZJSFPPFMSA-N 1 2 516.660 4.476 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000245247895 572221119 /nfs/dbraw/zinc/22/11/19/572221119.db2.gz YQMSYCAEIQLCJS-CWTOASCOSA-N 1 2 557.990 4.227 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000245247895 572221116 /nfs/dbraw/zinc/22/11/16/572221116.db2.gz YQMSYCAEIQLCJS-CWTOASCOSA-N 1 2 557.990 4.227 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245247897 572221141 /nfs/dbraw/zinc/22/11/41/572221141.db2.gz YQMSYCAEIQLCJS-XDZXDJIYSA-N 1 2 557.990 4.227 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245247897 572221137 /nfs/dbraw/zinc/22/11/37/572221137.db2.gz YQMSYCAEIQLCJS-XDZXDJIYSA-N 1 2 557.990 4.227 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000245255832 562881563 /nfs/dbraw/zinc/88/15/63/562881563.db2.gz LPCJPGGIKRJCRE-IUGBQFMMSA-N 1 2 516.660 4.476 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000245255832 562881562 /nfs/dbraw/zinc/88/15/62/562881562.db2.gz LPCJPGGIKRJCRE-IUGBQFMMSA-N 1 2 516.660 4.476 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(OC)cc1OC ZINC000245255833 562881552 /nfs/dbraw/zinc/88/15/52/562881552.db2.gz LPCJPGGIKRJCRE-ZJSFPPFMSA-N 1 2 516.660 4.476 50 0 KIAALO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(OC)cc1OC ZINC000245255833 562881551 /nfs/dbraw/zinc/88/15/51/562881551.db2.gz LPCJPGGIKRJCRE-ZJSFPPFMSA-N 1 2 516.660 4.476 50 0 KIAALO C[C@H](Sc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245285556 572226109 /nfs/dbraw/zinc/22/61/09/572226109.db2.gz XOEZVZLGFRVVCM-ILSIFQBBSA-N 1 2 530.760 4.010 50 0 KIAALO C[C@H](Sc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245285557 572226239 /nfs/dbraw/zinc/22/62/39/572226239.db2.gz XOEZVZLGFRVVCM-XOEOCAAJSA-N 1 2 530.760 4.010 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000245311990 572229972 /nfs/dbraw/zinc/22/99/72/572229972.db2.gz RLQHABLVGWKXFM-POTDNYQPSA-N 1 2 513.981 4.498 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000245311990 572229970 /nfs/dbraw/zinc/22/99/70/572229970.db2.gz RLQHABLVGWKXFM-POTDNYQPSA-N 1 2 513.981 4.498 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245311991 572229712 /nfs/dbraw/zinc/22/97/12/572229712.db2.gz RLQHABLVGWKXFM-XPGKHFPBSA-N 1 2 513.981 4.498 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245311991 572229711 /nfs/dbraw/zinc/22/97/11/572229711.db2.gz RLQHABLVGWKXFM-XPGKHFPBSA-N 1 2 513.981 4.498 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000245312799 572230128 /nfs/dbraw/zinc/23/01/28/572230128.db2.gz XHCFUHUUMKFDJE-POTDNYQPSA-N 1 2 543.963 4.231 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000245312799 572230125 /nfs/dbraw/zinc/23/01/25/572230125.db2.gz XHCFUHUUMKFDJE-POTDNYQPSA-N 1 2 543.963 4.231 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245312800 572230345 /nfs/dbraw/zinc/23/03/45/572230345.db2.gz XHCFUHUUMKFDJE-XPGKHFPBSA-N 1 2 543.963 4.231 50 0 KIAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245312800 572230341 /nfs/dbraw/zinc/23/03/41/572230341.db2.gz XHCFUHUUMKFDJE-XPGKHFPBSA-N 1 2 543.963 4.231 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000245312873 572230150 /nfs/dbraw/zinc/23/01/50/572230150.db2.gz YJKIYAQWHRSXGB-QABSLLFYSA-N 1 2 526.655 4.449 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000245312873 572230145 /nfs/dbraw/zinc/23/01/45/572230145.db2.gz YJKIYAQWHRSXGB-QABSLLFYSA-N 1 2 526.655 4.449 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000245312876 572230450 /nfs/dbraw/zinc/23/04/50/572230450.db2.gz YJKIYAQWHRSXGB-VRKFOXNMSA-N 1 2 526.655 4.449 50 0 KIAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000245312876 572230448 /nfs/dbraw/zinc/23/04/48/572230448.db2.gz YJKIYAQWHRSXGB-VRKFOXNMSA-N 1 2 526.655 4.449 50 0 KIAALO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245326834 572232896 /nfs/dbraw/zinc/23/28/96/572232896.db2.gz LZOTYZLKOZHFHC-HCWCBTOOSA-N 1 2 503.908 4.352 50 0 KIAALO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245326835 572232744 /nfs/dbraw/zinc/23/27/44/572232744.db2.gz LZOTYZLKOZHFHC-SXTNBDNLSA-N 1 2 503.908 4.352 50 0 KIAALO C[N@@H+]1CCN2c3cccc(Cl)c3CC3(C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000245326865 572233047 /nfs/dbraw/zinc/23/30/47/572233047.db2.gz MPKAMOVOVCXYNH-XMMPIXPASA-N 1 2 500.986 4.203 50 0 KIAALO COc1cccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000245327923 572234496 /nfs/dbraw/zinc/23/44/96/572234496.db2.gz LOBKSTFUBICNMD-XHCCPWGMSA-N 1 2 507.631 4.216 50 0 KIAALO COc1cccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000245327923 572234494 /nfs/dbraw/zinc/23/44/94/572234494.db2.gz LOBKSTFUBICNMD-XHCCPWGMSA-N 1 2 507.631 4.216 50 0 KIAALO CCOC(=O)C1=C(C[N@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245380807 572240549 /nfs/dbraw/zinc/24/05/49/572240549.db2.gz NAHPWHYLRYWBOX-IDISGSTGSA-N 1 2 506.647 4.164 50 0 KIAALO CCOC(=O)C1=C(C[N@@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245380807 572240547 /nfs/dbraw/zinc/24/05/47/572240547.db2.gz NAHPWHYLRYWBOX-IDISGSTGSA-N 1 2 506.647 4.164 50 0 KIAALO CCOC(=O)C1C(C[N@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245380807 572240546 /nfs/dbraw/zinc/24/05/46/572240546.db2.gz NAHPWHYLRYWBOX-IDISGSTGSA-N 1 2 506.647 4.164 50 0 KIAALO CCOC(=O)C1C(C[N@@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245380807 572240543 /nfs/dbraw/zinc/24/05/43/572240543.db2.gz NAHPWHYLRYWBOX-IDISGSTGSA-N 1 2 506.647 4.164 50 0 KIAALO O=C1[C@H]2[C@@H](/C=C/c3ccccc3)[N@@H+]3CSC[C@H]3[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000247755874 572244708 /nfs/dbraw/zinc/24/47/08/572244708.db2.gz WIPJGEKYWVMRKE-FTVQKVBOSA-N 1 2 522.980 4.237 50 0 KIAALO O=C1[C@H]2[C@@H](/C=C/c3ccccc3)[N@H+]3CSC[C@H]3[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000247755874 572244706 /nfs/dbraw/zinc/24/47/06/572244706.db2.gz WIPJGEKYWVMRKE-FTVQKVBOSA-N 1 2 522.980 4.237 50 0 KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000247899577 572248988 /nfs/dbraw/zinc/24/89/88/572248988.db2.gz FBXPYRVZIYTUAF-IOSWSOTBSA-N 1 2 574.033 4.380 50 0 KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000247899577 572248985 /nfs/dbraw/zinc/24/89/85/572248985.db2.gz FBXPYRVZIYTUAF-IOSWSOTBSA-N 1 2 574.033 4.380 50 0 KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000247903314 572248950 /nfs/dbraw/zinc/24/89/50/572248950.db2.gz GNVOSTVXFDIHMN-USWVPUSVSA-N 1 2 574.033 4.380 50 0 KIAALO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000247903314 572248949 /nfs/dbraw/zinc/24/89/49/572248949.db2.gz GNVOSTVXFDIHMN-USWVPUSVSA-N 1 2 574.033 4.380 50 0 KIAALO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000248253174 572257228 /nfs/dbraw/zinc/25/72/28/572257228.db2.gz QVEVVQKWXCVXAN-FLSMRUOLSA-N 1 2 538.522 4.319 50 0 KIAALO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000248253176 572257274 /nfs/dbraw/zinc/25/72/74/572257274.db2.gz QVEVVQKWXCVXAN-GFXAMXPBSA-N 1 2 538.522 4.319 50 0 KIAALO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000252488904 572261619 /nfs/dbraw/zinc/26/16/19/572261619.db2.gz JBKHESAAKLPHDR-KRWDZBQOSA-N 1 2 526.420 4.354 50 0 KIAALO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000252488905 572261614 /nfs/dbraw/zinc/26/16/14/572261614.db2.gz JBKHESAAKLPHDR-QGZVFWFLSA-N 1 2 526.420 4.354 50 0 KIAALO O=C(C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)NCCC(c1ccccc1)c1ccccc1 ZINC000252498673 572261839 /nfs/dbraw/zinc/26/18/39/572261839.db2.gz RIBCGPMEVZPRNA-UHFFFAOYSA-N 1 2 560.698 4.392 50 0 KIAALO O=C(CN1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)NCCC(c1ccccc1)c1ccccc1 ZINC000252498673 572261838 /nfs/dbraw/zinc/26/18/38/572261838.db2.gz RIBCGPMEVZPRNA-UHFFFAOYSA-N 1 2 560.698 4.392 50 0 KIAALO CC1CCN(S(=O)(=O)c2ccc(-c3csc(=Nc4ccccc4)n3CC[NH+]3CCOCC3)cc2)CC1 ZINC000252671686 572277019 /nfs/dbraw/zinc/27/70/19/572277019.db2.gz NZBAONLOASUTAC-UHFFFAOYSA-N 1 2 526.728 4.202 50 0 KIAALO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000253389001 572283148 /nfs/dbraw/zinc/28/31/48/572283148.db2.gz UAZIZUWOOUWISV-HFJWLAOPSA-N 1 2 548.105 4.410 50 0 KIAALO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000253389001 572283147 /nfs/dbraw/zinc/28/31/47/572283147.db2.gz UAZIZUWOOUWISV-HFJWLAOPSA-N 1 2 548.105 4.410 50 0 KIAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000253389002 572283127 /nfs/dbraw/zinc/28/31/27/572283127.db2.gz UAZIZUWOOUWISV-WXTAPIANSA-N 1 2 548.105 4.410 50 0 KIAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000253389002 572283126 /nfs/dbraw/zinc/28/31/26/572283126.db2.gz UAZIZUWOOUWISV-WXTAPIANSA-N 1 2 548.105 4.410 50 0 KIAALO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000253389023 572283238 /nfs/dbraw/zinc/28/32/38/572283238.db2.gz ZZSBMJCFTZETJB-HMILPKGGSA-N 1 2 509.622 4.276 50 0 KIAALO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000253389023 572283237 /nfs/dbraw/zinc/28/32/37/572283237.db2.gz ZZSBMJCFTZETJB-HMILPKGGSA-N 1 2 509.622 4.276 50 0 KIAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000253389024 572283121 /nfs/dbraw/zinc/28/31/21/572283121.db2.gz ZZSBMJCFTZETJB-WHLCRQNOSA-N 1 2 509.622 4.276 50 0 KIAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000253389024 572283120 /nfs/dbraw/zinc/28/31/20/572283120.db2.gz ZZSBMJCFTZETJB-WHLCRQNOSA-N 1 2 509.622 4.276 50 0 KIAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000253389253 572283277 /nfs/dbraw/zinc/28/32/77/572283277.db2.gz DALJTDYHJZCCME-PNIUZAESSA-N 1 2 503.643 4.309 50 0 KIAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000253389253 572283276 /nfs/dbraw/zinc/28/32/76/572283276.db2.gz DALJTDYHJZCCME-PNIUZAESSA-N 1 2 503.643 4.309 50 0 KIAALO CC[N@@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc21)c1cccc(C)c1 ZINC000253530838 572298516 /nfs/dbraw/zinc/29/85/16/572298516.db2.gz UQRYRPFGUUOTHA-OAQYLSRUSA-N 1 2 524.687 4.458 50 0 KIAALO CC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc21)c1cccc(C)c1 ZINC000253530838 572298515 /nfs/dbraw/zinc/29/85/15/572298515.db2.gz UQRYRPFGUUOTHA-OAQYLSRUSA-N 1 2 524.687 4.458 50 0 KIAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000253535792 572300054 /nfs/dbraw/zinc/30/00/54/572300054.db2.gz FCSYSDFJBWBCOC-DICHSLLOSA-N 1 2 629.758 4.043 50 0 KIAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000253535795 572300021 /nfs/dbraw/zinc/30/00/21/572300021.db2.gz FCSYSDFJBWBCOC-HVIPQOSHSA-N 1 2 629.758 4.043 50 0 KIAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253535796 572300030 /nfs/dbraw/zinc/30/00/30/572300030.db2.gz FCSYSDFJBWBCOC-XYFQYJLHSA-N 1 2 629.758 4.043 50 0 KIAALO COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263584783 572115323 /nfs/dbraw/zinc/11/53/23/572115323.db2.gz AQWRRYISVBCCOG-GOSISDBHSA-N 1 2 533.499 4.033 50 0 KIAALO COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263584783 572115318 /nfs/dbraw/zinc/11/53/18/572115318.db2.gz AQWRRYISVBCCOG-GOSISDBHSA-N 1 2 533.499 4.033 50 0 KIAALO COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263584784 572115371 /nfs/dbraw/zinc/11/53/71/572115371.db2.gz AQWRRYISVBCCOG-SFHVURJKSA-N 1 2 533.499 4.033 50 0 KIAALO COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263584784 572115370 /nfs/dbraw/zinc/11/53/70/572115370.db2.gz AQWRRYISVBCCOG-SFHVURJKSA-N 1 2 533.499 4.033 50 0 KIAALO COC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263584986 572115776 /nfs/dbraw/zinc/11/57/76/572115776.db2.gz CTSILXSBDIMRTB-HSZRJFAPSA-N 1 2 530.577 4.164 50 0 KIAALO COC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263584986 572115775 /nfs/dbraw/zinc/11/57/75/572115775.db2.gz CTSILXSBDIMRTB-HSZRJFAPSA-N 1 2 530.577 4.164 50 0 KIAALO COC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263584987 572116002 /nfs/dbraw/zinc/11/60/02/572116002.db2.gz CTSILXSBDIMRTB-QHCPKHFHSA-N 1 2 530.577 4.164 50 0 KIAALO COC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263584987 572115997 /nfs/dbraw/zinc/11/59/97/572115997.db2.gz CTSILXSBDIMRTB-QHCPKHFHSA-N 1 2 530.577 4.164 50 0 KIAALO COC(=O)C[C@H](c1ccnc2ccccc21)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585582 572119055 /nfs/dbraw/zinc/11/90/55/572119055.db2.gz KHPDLDLAZBICFC-HSZRJFAPSA-N 1 2 530.577 4.164 50 0 KIAALO COC(=O)C[C@H](c1ccnc2ccccc21)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585582 572119053 /nfs/dbraw/zinc/11/90/53/572119053.db2.gz KHPDLDLAZBICFC-HSZRJFAPSA-N 1 2 530.577 4.164 50 0 KIAALO COC(=O)C[C@@H](c1ccnc2ccccc21)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585583 572119112 /nfs/dbraw/zinc/11/91/12/572119112.db2.gz KHPDLDLAZBICFC-QHCPKHFHSA-N 1 2 530.577 4.164 50 0 KIAALO COC(=O)C[C@@H](c1ccnc2ccccc21)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585583 572119108 /nfs/dbraw/zinc/11/91/08/572119108.db2.gz KHPDLDLAZBICFC-QHCPKHFHSA-N 1 2 530.577 4.164 50 0 KIAALO COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585638 572119123 /nfs/dbraw/zinc/11/91/23/572119123.db2.gz KXUVUCUJOGTNAV-DEOSSOPVSA-N 1 2 537.609 4.403 50 0 KIAALO COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585638 572119119 /nfs/dbraw/zinc/11/91/19/572119119.db2.gz KXUVUCUJOGTNAV-DEOSSOPVSA-N 1 2 537.609 4.403 50 0 KIAALO COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585639 572119012 /nfs/dbraw/zinc/11/90/12/572119012.db2.gz KXUVUCUJOGTNAV-XMMPIXPASA-N 1 2 537.609 4.403 50 0 KIAALO COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585639 572119011 /nfs/dbraw/zinc/11/90/11/572119011.db2.gz KXUVUCUJOGTNAV-XMMPIXPASA-N 1 2 537.609 4.403 50 0 KIAALO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(C(C)C)cc3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263585746 572119890 /nfs/dbraw/zinc/11/98/90/572119890.db2.gz LZNWGVMBDSGXCJ-CDLSOSGVSA-N 1 2 566.702 4.465 50 0 KIAALO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(C(C)C)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263585746 572119888 /nfs/dbraw/zinc/11/98/88/572119888.db2.gz LZNWGVMBDSGXCJ-CDLSOSGVSA-N 1 2 566.702 4.465 50 0 KIAALO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(C(C)C)cc3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263585747 572119803 /nfs/dbraw/zinc/11/98/03/572119803.db2.gz LZNWGVMBDSGXCJ-IJPIXGRMSA-N 1 2 566.702 4.465 50 0 KIAALO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(C(C)C)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263585747 572119800 /nfs/dbraw/zinc/11/98/00/572119800.db2.gz LZNWGVMBDSGXCJ-IJPIXGRMSA-N 1 2 566.702 4.465 50 0 KIAALO COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585810 572120461 /nfs/dbraw/zinc/12/04/61/572120461.db2.gz MWGVUAVMRMLDIN-HSZRJFAPSA-N 1 2 567.635 4.412 50 0 KIAALO COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585810 572120460 /nfs/dbraw/zinc/12/04/60/572120460.db2.gz MWGVUAVMRMLDIN-HSZRJFAPSA-N 1 2 567.635 4.412 50 0 KIAALO COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585811 572120394 /nfs/dbraw/zinc/12/03/94/572120394.db2.gz MWGVUAVMRMLDIN-QHCPKHFHSA-N 1 2 567.635 4.412 50 0 KIAALO COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585811 572120390 /nfs/dbraw/zinc/12/03/90/572120390.db2.gz MWGVUAVMRMLDIN-QHCPKHFHSA-N 1 2 567.635 4.412 50 0 KIAALO COC(=O)C[C@H](c1ccc(SC)cc1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586227 572122626 /nfs/dbraw/zinc/12/26/26/572122626.db2.gz RLQSYLVCGGDGAV-JOCHJYFZSA-N 1 2 525.623 4.338 50 0 KIAALO COC(=O)C[C@H](c1ccc(SC)cc1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586227 572122622 /nfs/dbraw/zinc/12/26/22/572122622.db2.gz RLQSYLVCGGDGAV-JOCHJYFZSA-N 1 2 525.623 4.338 50 0 KIAALO COC(=O)C[C@@H](c1ccc(SC)cc1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586228 572122600 /nfs/dbraw/zinc/12/26/00/572122600.db2.gz RLQSYLVCGGDGAV-QFIPXVFZSA-N 1 2 525.623 4.338 50 0 KIAALO COC(=O)C[C@@H](c1ccc(SC)cc1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586228 572122597 /nfs/dbraw/zinc/12/25/97/572122597.db2.gz RLQSYLVCGGDGAV-QFIPXVFZSA-N 1 2 525.623 4.338 50 0 KIAALO CCCCN(C)C(=O)CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1[NH+]1CCN(c2ccccc2OC)CC1 ZINC000299755223 572134099 /nfs/dbraw/zinc/13/40/99/572134099.db2.gz BQSQWCPHHAVNQZ-RRPNLBNLSA-N 1 2 507.723 4.142 50 0 KIAALO Cc1nn(C)c(C)c1[C@H](C)N(C)C(=O)COc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCN(C)CC1 ZINC000299762970 572135081 /nfs/dbraw/zinc/13/50/81/572135081.db2.gz FHXYENRZSGAVQR-NRFANRHFSA-N 1 2 507.654 4.189 50 0 KIAALO Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)COc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCN(C)CC1 ZINC000299762973 572134960 /nfs/dbraw/zinc/13/49/60/572134960.db2.gz FHXYENRZSGAVQR-OAQYLSRUSA-N 1 2 507.654 4.189 50 0 KIAALO Cc1c[nH]c(CN(C)C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cccc(Cl)c3)C4=O)CC2)[nH+]1 ZINC000299774386 572136525 /nfs/dbraw/zinc/13/65/25/572136525.db2.gz HLTFRRUKHPJUKQ-UHFFFAOYSA-N 1 2 506.006 4.043 50 0 KIAALO Cc1nc(C(=O)N2CCC[C@@H](COc3ccc(CN4CC[NH+](Cc5cccnc5)CC4)cc3)C2)cs1 ZINC000299799791 572138005 /nfs/dbraw/zinc/13/80/05/572138005.db2.gz SKSZNQFNVFOYCD-RUZDIDTESA-N 1 2 505.688 4.096 50 0 KIAALO Cc1nc(C(=O)N2CCC[C@H](COc3ccc(CN4CC[NH+](Cc5cccnc5)CC4)cc3)C2)cs1 ZINC000299799792 572138025 /nfs/dbraw/zinc/13/80/25/572138025.db2.gz SKSZNQFNVFOYCD-VWLOTQADSA-N 1 2 505.688 4.096 50 0 KIAALO O=C1c2ccccc2[C@@H](NCc2ccc3c(c2)OCO3)N1CCN1C(=O)c2ccccc2[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000334162918 572154482 /nfs/dbraw/zinc/15/44/82/572154482.db2.gz HEBUOFLJIQPCSR-ACHIHNKUSA-N 1 2 590.636 4.333 50 0 KIAALO O=C1c2ccccc2[C@H](NCc2ccc3c(c2)OCO3)N1CCN1C(=O)c2ccccc2[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000334162920 572154392 /nfs/dbraw/zinc/15/43/92/572154392.db2.gz HEBUOFLJIQPCSR-ROJLCIKYSA-N 1 2 590.636 4.333 50 0 KIAALO COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730360 1064281716 /nfs/dbraw/zinc/28/17/16/1064281716.db2.gz GTDGPBPOCGFLCP-NRFANRHFSA-N 1 2 503.473 4.497 50 0 KIAALO COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730360 1064281701 /nfs/dbraw/zinc/28/17/01/1064281701.db2.gz GTDGPBPOCGFLCP-NRFANRHFSA-N 1 2 503.473 4.497 50 0 KIAALO COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730361 1064280896 /nfs/dbraw/zinc/28/08/96/1064280896.db2.gz GTDGPBPOCGFLCP-OAQYLSRUSA-N 1 2 503.473 4.497 50 0 KIAALO COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730361 1064280880 /nfs/dbraw/zinc/28/08/80/1064280880.db2.gz GTDGPBPOCGFLCP-OAQYLSRUSA-N 1 2 503.473 4.497 50 0 KIAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCCn3cc[nH+]c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000524730469 1064280537 /nfs/dbraw/zinc/28/05/37/1064280537.db2.gz KOIIWGMKSIBNCX-SANMLTNESA-N 1 2 605.736 4.238 50 0 KIAALO COC(=O)C[C@H](c1cc2ccccc2nc1N(C)C)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524731858 1064282314 /nfs/dbraw/zinc/28/23/14/1064282314.db2.gz MRRSHFIPRVPBOZ-HSZRJFAPSA-N 1 2 513.594 4.213 50 0 KIAALO COC(=O)C[C@H](c1cc2ccccc2nc1N(C)C)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524731858 1064282301 /nfs/dbraw/zinc/28/23/01/1064282301.db2.gz MRRSHFIPRVPBOZ-HSZRJFAPSA-N 1 2 513.594 4.213 50 0 KIAALO COC(=O)C[C@@H](c1cc2ccccc2nc1N(C)C)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524731859 1064283284 /nfs/dbraw/zinc/28/32/84/1064283284.db2.gz MRRSHFIPRVPBOZ-QHCPKHFHSA-N 1 2 513.594 4.213 50 0 KIAALO COC(=O)C[C@@H](c1cc2ccccc2nc1N(C)C)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524731859 1064283270 /nfs/dbraw/zinc/28/32/70/1064283270.db2.gz MRRSHFIPRVPBOZ-QHCPKHFHSA-N 1 2 513.594 4.213 50 0 KIAALO