smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@H]1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000169290523 581091126 /nfs/dbraw/zinc/09/11/26/581091126.db2.gz LVRVQELTVCNPQT-YMFKDRQTSA-N 2 1 464.742 6.206 1 0 JKAFMP c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@H]1CC[NH2+][C@H]2CCCC[C@H]12 ZINC000101269337 581091136 /nfs/dbraw/zinc/09/11/36/581091136.db2.gz LVRVQELTVCNPQT-SINPBGNNSA-N 2 1 464.742 6.206 1 0 JKAFMP c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]12 ZINC000169290521 581091226 /nfs/dbraw/zinc/09/12/26/581091226.db2.gz LVRVQELTVCNPQT-WXVZLDJUSA-N 2 1 464.742 6.206 1 0 JKAFMP CC[N@H+]1CCC[C@@H]2[C@@H](C[C@H]3CC[C@@H]4[C@@H]5C[C@@H]6[C@@H](C[C@@H](C)C[C@@H]6[NH+](C)C5)C[C@@H]4[NH2+]3)C[C@H](C)C[C@@H]21 ZINC000095918965 560054774 /nfs/dbraw/zinc/05/47/74/560054774.db2.gz KUAFTTDYFQSMKD-JLRDFPEGSA-N 3 1 455.775 5.646 1 0 biogenic,in-vitro JKAFMP CC[NH+]1CCC[C@@H]2[C@@H](C[C@H]3CC[C@@H]4[C@@H]5C[C@@H]6[C@@H](C[C@@H](C)C[C@@H]6[N@H+](C)C5)C[C@@H]4[NH2+]3)C[C@H](C)C[C@@H]21 ZINC000095918965 560054775 /nfs/dbraw/zinc/05/47/75/560054775.db2.gz KUAFTTDYFQSMKD-JLRDFPEGSA-N 3 1 455.775 5.646 1 0 biogenic,in-vitro JKAFMP CC[NH+]1CCC[C@@H]2[C@@H](C[C@H]3CC[C@@H]4[C@@H]5C[C@@H]6[C@@H](C[C@@H](C)C[C@@H]6[N@@H+](C)C5)C[C@@H]4[NH2+]3)C[C@H](C)C[C@@H]21 ZINC000095918965 560054777 /nfs/dbraw/zinc/05/47/77/560054777.db2.gz KUAFTTDYFQSMKD-JLRDFPEGSA-N 3 1 455.775 5.646 1 0 biogenic,in-vitro JKAFMP Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(nc[nH+]c2N)n1C1CCC([NH+]2CCCC2)CC1 ZINC000003950287 562930673 /nfs/dbraw/zinc/93/06/73/562930673.db2.gz DJOJKIGNNDWGRS-UHFFFAOYSA-N 2 1 481.644 6.147 1 0 JKAFMP c1ccc(CCC[NH2+]CCCC[N@@H+](CCC[NH2+]CCCc2ccccc2)CCCc2ccccc2)cc1 ZINC000026506998 563029495 /nfs/dbraw/zinc/02/94/95/563029495.db2.gz SDRYSJINSXWXST-UHFFFAOYSA-N 3 1 499.787 6.536 1 0 JKAFMP c1ccc(C[N@@H+]2C[C@H](C[NH+]3CCC(c4ccccc4)CC3)[C@@H](c3cccc(-c4ccccc4)c3)C2)cc1 ZINC000026652046 563032182 /nfs/dbraw/zinc/03/21/82/563032182.db2.gz NGHZITOYYPOZLV-OIDHKYIRSA-N 2 1 486.703 7.449 1 0 JKAFMP C[C@@H](C[NH+]1CCC([NH+](C)C)CC1)c1c2ccccc2sc1COc1ccc(Cl)cc1Cl ZINC000027526057 563045550 /nfs/dbraw/zinc/04/55/50/563045550.db2.gz VCNDHWSJWTZENG-KRWDZBQOSA-N 2 1 477.501 6.917 1 0 JKAFMP CC[NH+](CC)CCCCCCCCCCCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000027552383 563046111 /nfs/dbraw/zinc/04/61/11/563046111.db2.gz DJBUQUWFCUWJGE-UHFFFAOYSA-N 2 1 462.520 7.652 1 0 JKAFMP Clc1ccc2c(c1)nccc2NCC[NH2+]CCCC[NH2+]CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000027726278 563050462 /nfs/dbraw/zinc/05/04/62/563050462.db2.gz CJWXXXWQZSXTSA-UHFFFAOYSA-N 3 1 497.474 5.573 1 0 JKAFMP c1ccc(CC[NH2+]Cc2ccc(-c3cccc(C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)c3)cc2)cc1 ZINC000028462725 563064704 /nfs/dbraw/zinc/06/47/04/563064704.db2.gz MFYMITAWTNSDBX-UHFFFAOYSA-N 3 1 489.707 6.440 1 0 JKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cc(Oc4cncc(C[NH+]5CCCCC5)c4)ccc32)cc1 ZINC000028827073 563082770 /nfs/dbraw/zinc/08/27/70/563082770.db2.gz NZWFFJWOAKYYID-MUUNZHRXSA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCC(F)CC5)cn4)ccc32)cc1 ZINC000028827086 563082842 /nfs/dbraw/zinc/08/28/42/563082842.db2.gz KWIGMVZMURUWHZ-MHZLTWQESA-N 2 1 477.649 6.107 1 0 JKAFMP CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4ncc(C[NH+]5CCCCC5)s4)ccc32)cc1 ZINC000028827093 563082922 /nfs/dbraw/zinc/08/29/22/563082922.db2.gz OIWLTELSYHQZCA-RUZDIDTESA-N 2 1 465.688 6.221 1 0 JKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cc(Oc4ncc(C[NH+]5CCCCC5)s4)ccc32)cc1 ZINC000028827093 563082923 /nfs/dbraw/zinc/08/29/23/563082923.db2.gz OIWLTELSYHQZCA-RUZDIDTESA-N 2 1 465.688 6.221 1 0 JKAFMP O=C(C[NH+]1CCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863315 563083404 /nfs/dbraw/zinc/08/34/04/563083404.db2.gz DMYCELBWAKQYGG-KVSLOUQESA-N 2 1 472.673 5.600 1 0 JKAFMP CC(=O)N1CCCC2=C(C[C@H]3CCC[C@H](CC4=C5CCC[N@@H+](C)[C@H]5C[C@@H](C)C4)[NH2+]3)C[C@H](C)C[C@@H]21 ZINC000028876474 563084464 /nfs/dbraw/zinc/08/44/64/563084464.db2.gz GNBIIUGCLQZEQB-JIWCGRIKSA-N 2 1 467.742 5.835 1 0 JKAFMP COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4cccc(OC(F)(F)F)c4)C3)[nH+]c2c1 ZINC000028951091 563087106 /nfs/dbraw/zinc/08/71/06/563087106.db2.gz RIMABVFMBXYCGG-OALUTQOASA-N 2 1 459.512 5.963 1 0 JKAFMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2)CC1 ZINC000028957647 563088503 /nfs/dbraw/zinc/08/85/03/563088503.db2.gz BPIRSCHARNHKLH-SANMLTNESA-N 2 1 467.057 5.345 1 0 JKAFMP C[NH2+]Cc1cc(C(=O)N2CCC[N@H+](C(C)C)CC2)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000029130214 563097008 /nfs/dbraw/zinc/09/70/08/563097008.db2.gz DTGQAURGKWOQAA-UHFFFAOYSA-N 2 1 450.410 5.061 1 0 JKAFMP COc1cc2[nH+]c(N3CCC([N@H+](C)C4CCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC ZINC000040379715 563137323 /nfs/dbraw/zinc/13/73/23/563137323.db2.gz DGLJOEVJJUYDCB-UHFFFAOYSA-N 2 1 481.685 5.625 1 0 JKAFMP COc1cc2[nH+]c(N3CCC([N@@H+](C)C4CCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC ZINC000040379715 563137324 /nfs/dbraw/zinc/13/73/24/563137324.db2.gz DGLJOEVJJUYDCB-UHFFFAOYSA-N 2 1 481.685 5.625 1 0 JKAFMP C[NH+]1CCC[C@H]1c1c2cc(-c3nc(CCc4ccc(Cl)cc4)no3)[nH]c2ccc1[C@@H]1CCC[N@@H+]1C ZINC000040763124 563147891 /nfs/dbraw/zinc/14/78/91/563147891.db2.gz WVZHNBKEFNKNQK-DQEYMECFSA-N 2 1 490.051 6.190 1 0 JKAFMP C[NH+]1CCC[C@H]1c1ccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc2c1[C@@H]1CCC[N@@H+]1C ZINC000040763124 563147892 /nfs/dbraw/zinc/14/78/92/563147892.db2.gz WVZHNBKEFNKNQK-DQEYMECFSA-N 2 1 490.051 6.190 1 0 JKAFMP C[NH+]1CCC[C@H]1c1ccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc2c1[C@@H]1CCC[N@H+]1C ZINC000040763124 563147893 /nfs/dbraw/zinc/14/78/93/563147893.db2.gz WVZHNBKEFNKNQK-DQEYMECFSA-N 2 1 490.051 6.190 1 0 JKAFMP Nc1ccc(-c2cccc(F)c2)cc1NC(=O)c1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC000040900476 563154715 /nfs/dbraw/zinc/15/47/15/563154715.db2.gz SUAKAXXIPDSKLQ-UHFFFAOYSA-N 2 1 458.581 5.045 1 0 JKAFMP Clc1ccc([C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000040975749 563161983 /nfs/dbraw/zinc/16/19/83/563161983.db2.gz SHXACPDVVQQBFH-MHZLTWQESA-N 2 1 462.424 7.339 1 0 JKAFMP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@H]3CCC[N@@H+]3C)c2)c1 ZINC000043120124 563167384 /nfs/dbraw/zinc/16/73/84/563167384.db2.gz DBISFANLRPNEFE-MEKGRNQZSA-N 4 1 492.796 6.396 1 0 JKAFMP C[NH+]1CCC[C@@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000043120124 563167385 /nfs/dbraw/zinc/16/73/85/563167385.db2.gz DBISFANLRPNEFE-MEKGRNQZSA-N 4 1 492.796 6.396 1 0 JKAFMP C[NH+]1CCC[C@@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@H+]3C)c2)c1 ZINC000043120124 563167386 /nfs/dbraw/zinc/16/73/86/563167386.db2.gz DBISFANLRPNEFE-MEKGRNQZSA-N 4 1 492.796 6.396 1 0 JKAFMP c1ccc(C[PH+](CC[PH+](Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1 ZINC000043781149 563171006 /nfs/dbraw/zinc/17/10/06/563171006.db2.gz ACCBLPAIUGRGGA-UHFFFAOYSA-N 2 1 454.534 8.751 1 0 JKAFMP C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N@@H+](C)CCCc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)[NH+](C)C ZINC000044418746 563172742 /nfs/dbraw/zinc/17/27/42/563172742.db2.gz KGAYDDPUTKXMLL-SGZSBSDDSA-N 2 1 478.809 7.529 1 0 JKAFMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)c3)CC2)C1 ZINC000045167570 563173309 /nfs/dbraw/zinc/17/33/09/563173309.db2.gz DDNGKUYSKPCJEI-RUZDIDTESA-N 2 1 479.672 5.356 1 0 JKAFMP O=C(N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1)c1ccc2ccccc2c1 ZINC000045167709 563173334 /nfs/dbraw/zinc/17/33/34/563173334.db2.gz BVBRBBLWMGWGIB-NDEPHWFRSA-N 2 1 471.645 5.099 1 0 JKAFMP Clc1ccc2[nH+]ccc(N3CCC(C[NH+]4CCC(c5c[nH]c6ccccc65)CC4)CC3)c2c1 ZINC000045168767 563173896 /nfs/dbraw/zinc/17/38/96/563173896.db2.gz FWTLDSLGEGIFGL-UHFFFAOYSA-N 2 1 459.037 6.466 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)s3)[nH]c21 ZINC000045186807 563174177 /nfs/dbraw/zinc/17/41/77/563174177.db2.gz OKXZKLGTJZPQHW-UHFFFAOYSA-N 2 1 465.626 5.984 1 0 JKAFMP c1[nH]c2nc(NC3CCCC3)[nH+]cc2c1-c1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000045189524 563175184 /nfs/dbraw/zinc/17/51/84/563175184.db2.gz XOFSUCKKXIEZQZ-UHFFFAOYSA-N 2 1 451.618 6.359 1 0 JKAFMP c1ccc(C(c2ccccc2)[NH+]2CCC([NH2+]Cc3ccc(OCCC[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000045201031 563177959 /nfs/dbraw/zinc/17/79/59/563177959.db2.gz NXRXKDDWKOKSTR-UHFFFAOYSA-N 3 1 497.727 6.285 1 0 JKAFMP O=S(=O)(Nc1cccc(CC[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1)c1ccc2ccccc2c1 ZINC000045226580 563179792 /nfs/dbraw/zinc/17/97/92/563179792.db2.gz YEAAANNSMPJFJL-MUUNZHRXSA-N 2 1 491.701 5.524 1 0 JKAFMP CC[C@@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3cc(OC)ccc3[nH]c21 ZINC000045228558 563180456 /nfs/dbraw/zinc/18/04/56/563180456.db2.gz YVROHRIQSQJCSI-DIBPYXDISA-N 2 1 466.629 6.039 1 0 JKAFMP CC(C)c1ccc(S(=O)(=O)Nc2cccc(CC[NH+]3CCC([NH+]4CCCCC4)CC3)c2)cc1 ZINC000045231203 563181374 /nfs/dbraw/zinc/18/13/74/563181374.db2.gz SAHRGLCEKJVPRI-UHFFFAOYSA-N 2 1 469.695 5.104 1 0 JKAFMP CCCC[NH+]1CCC(C(=O)Nc2ccc(CNc3nc(N(C)C)[nH+]c4cc(C)ccc43)cc2)CC1 ZINC000045245861 563181881 /nfs/dbraw/zinc/18/18/81/563181881.db2.gz GLOWDMOLCCSLRC-UHFFFAOYSA-N 2 1 474.653 5.067 1 0 JKAFMP Clc1ccc2c(c1)[nH+]ccc2N1CCN(CC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000045321619 563188194 /nfs/dbraw/zinc/18/81/94/563188194.db2.gz PYOZRIBDVJDIRO-UHFFFAOYSA-N 2 1 471.048 5.713 1 0 JKAFMP CN(CC[NH+](C)C)Cc1ccc(-c2ccc3c(Nc4ccc(F)cc4Cl)cc[nH+]c3c2)o1 ZINC000045323280 563188804 /nfs/dbraw/zinc/18/88/04/563188804.db2.gz CSEQKCHKYPNSOA-UHFFFAOYSA-N 2 1 452.961 6.024 1 0 JKAFMP c1c2ccccc2[nH]c1C[N@H+](Cc1ccc(C[NH2+]Cc2ccccn2)cc1)[C@H]1CCCc2cccnc21 ZINC000049070942 563201344 /nfs/dbraw/zinc/20/13/44/563201344.db2.gz IEWXODVRBFFDRL-HKBQPEDESA-N 2 1 487.651 6.328 1 0 JKAFMP CCC[N@H+](CCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1ccccc1OC(F)(F)F ZINC000049111760 563202308 /nfs/dbraw/zinc/20/23/08/563202308.db2.gz MKRASZNHEPBMOR-UHFFFAOYSA-N 2 1 451.920 6.501 1 0 JKAFMP CCC[N@@H+](CCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1ccccc1OC(F)(F)F ZINC000049111760 563202309 /nfs/dbraw/zinc/20/23/09/563202309.db2.gz MKRASZNHEPBMOR-UHFFFAOYSA-N 2 1 451.920 6.501 1 0 JKAFMP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccc(-c5ccc(Br)cc5)cc34)cc2)CC1 ZINC000058523409 563206888 /nfs/dbraw/zinc/20/68/88/563206888.db2.gz KLDDIZKJFLATAF-UHFFFAOYSA-N 2 1 473.418 6.160 1 0 JKAFMP c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@H]12 ZINC000195108683 581091115 /nfs/dbraw/zinc/09/11/15/581091115.db2.gz LVRVQELTVCNPQT-DEEGFUGBSA-N 2 1 464.742 6.206 1 0 JKAFMP CC1(C)O[C@@]2([C@H]3C[C@H](Cc4ccc(N)[nH+]c4)CC4(CCCC4)C3)CC[C@@H]1[C@]([NH3+])(CCCO)C2 ZINC000085543194 291569864 /nfs/dbraw/zinc/56/98/64/291569864.db2.gz RKCCJRRGAWXBDI-ZCBIBPQVSA-N 2 1 455.687 5.001 1 0 biogenic,in-vitro JKAFMP CCC1=C(C[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C1 ZINC000003590974 562927241 /nfs/dbraw/zinc/92/72/41/562927241.db2.gz XXLZPUYGHQWHRN-LOSJGSFVSA-N 2 1 478.633 5.008 1 0 JKAFMP COC(=O)C[C@@H]1c2ccccc2NC(=[NH+]CCCCC[NH3+])N1c1ccc(-c2ccccc2)cc1 ZINC000006716825 562938194 /nfs/dbraw/zinc/93/81/94/562938194.db2.gz IAVHQTHZEBUNLX-AREMUKBSSA-N 2 1 456.590 5.184 1 0 JKAFMP C[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1C[NH+]1CCC([NH3+])CC1)C1CCCCC1 ZINC000013862773 563003109 /nfs/dbraw/zinc/00/31/09/563003109.db2.gz VMJXZFSOFQSBSI-NRFANRHFSA-N 2 1 470.661 5.524 1 0 JKAFMP c1cc(-c2cccc([C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C[NH+]3CCC(c4ccccc4)CC3)c2)cs1 ZINC000026656227 563032425 /nfs/dbraw/zinc/03/24/25/563032425.db2.gz JHFXCMMRNYGHFT-JHOUSYSJSA-N 2 1 492.732 7.510 1 0 JKAFMP Clc1ccc2c(c1Cl)C[NH+](CCCCCC[N@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027872603 563052516 /nfs/dbraw/zinc/05/25/16/563052516.db2.gz FYGLLOLRBVYMLW-UHFFFAOYSA-N 2 1 486.314 7.277 1 0 JKAFMP Clc1ccc2c(c1Cl)C[NH+](CCCCCC[N@@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027872603 563052517 /nfs/dbraw/zinc/05/25/17/563052517.db2.gz FYGLLOLRBVYMLW-UHFFFAOYSA-N 2 1 486.314 7.277 1 0 JKAFMP c1ccc(CC[NH2+]Cc2ccc(-c3ccc(C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)cc3)cc2)cc1 ZINC000028469275 563065207 /nfs/dbraw/zinc/06/52/07/563065207.db2.gz GVKQDVSZECJFTO-UHFFFAOYSA-N 3 1 489.707 6.440 1 0 JKAFMP CC(C)=CCC(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3C[C@@H]([NH+](C)C)CC[C@@]32C)[C@@H]2CC[C@@H]3[C@H](C)[N@H+](C)C[C@@]321 ZINC000028522186 563066518 /nfs/dbraw/zinc/06/65/18/563066518.db2.gz WGJLLAVOYXFCTC-BMSXNQCFSA-N 2 1 468.726 5.688 1 0 JKAFMP C[C@H]1CCCC[N@H+]1CCCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1cccc2ccccc21 ZINC000028524976 563067426 /nfs/dbraw/zinc/06/74/26/563067426.db2.gz SVOKPCHDCYMYDC-QHCPKHFHSA-N 2 1 492.667 6.184 1 0 JKAFMP CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000028564683 563069181 /nfs/dbraw/zinc/06/91/81/563069181.db2.gz HAVCLXMWRUTARG-ROJLCIKYSA-N 2 1 478.680 6.443 1 0 JKAFMP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cc(Oc4ccnc(C[NH+]5CCCCC5)c4)ccc32)cc1 ZINC000028827068 563082739 /nfs/dbraw/zinc/08/27/39/563082739.db2.gz JIAHUHYIBFOBFK-NDEPHWFRSA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cccc(Oc4cncc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827075 563082746 /nfs/dbraw/zinc/08/27/46/563082746.db2.gz QDKMCOBSBCRFOL-AREMUKBSSA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cc(Oc4cccc(C[NH+]5CCCCC5)c4)ccc32)cc1 ZINC000028827065 563082780 /nfs/dbraw/zinc/08/27/80/563082780.db2.gz HAUQDPMQHAJUER-GDLZYMKVSA-N 2 1 458.671 6.764 1 0 JKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)nc4)ccc32)cc1 ZINC000028827081 563082848 /nfs/dbraw/zinc/08/28/48/563082848.db2.gz VLEAGNJHWYVHPR-MUUNZHRXSA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4ncc(C[NH+]5CCCCC5)s4)ccc32)cc1 ZINC000028827092 563082929 /nfs/dbraw/zinc/08/29/29/563082929.db2.gz OIWLTELSYHQZCA-VWLOTQADSA-N 2 1 465.688 6.221 1 0 JKAFMP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cc(Oc4ncc(C[NH+]5CCCCC5)s4)ccc32)cc1 ZINC000028827092 563082930 /nfs/dbraw/zinc/08/29/30/563082930.db2.gz OIWLTELSYHQZCA-VWLOTQADSA-N 2 1 465.688 6.221 1 0 JKAFMP O=C(C[NH+]1CCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863306 563083441 /nfs/dbraw/zinc/08/34/41/563083441.db2.gz MVOHQJXRNOPLDL-MUJUVEFKSA-N 2 1 458.646 5.210 1 0 JKAFMP C[C@H](CC[C@H]1CC[N@@H+](C)C[C@H]1C)[C@H]1CC[C@@H]2[C@]1(C)CCC1=CC3=CC[C@@H]([NH+](C)C)C[C@]34CC[C@@]12O4 ZINC000028872520 563084259 /nfs/dbraw/zinc/08/42/59/563084259.db2.gz NHQQBQFKOMCHDG-IMWIXVRKSA-N 2 1 480.781 6.695 1 0 in-vitro JKAFMP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCC[N@@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029056040 563093540 /nfs/dbraw/zinc/09/35/40/563093540.db2.gz SKYWWOFBHWQWFU-FIRIVFDPSA-N 2 1 478.721 6.456 1 0 in-vivo JKAFMP C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N@@H+](C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)[NH+](C)C ZINC000038514154 563134882 /nfs/dbraw/zinc/13/48/82/563134882.db2.gz SRXWLQYLSKHWMI-WTIXRUGHSA-N 2 1 450.755 7.096 1 0 JKAFMP C[NH+]1CCC[C@H]1c1c2cc(-c3nc(CCc4ccc(Cl)cc4)no3)[nH]c2ccc1[C@H]1CCC[N@@H+]1C ZINC000040763122 563147909 /nfs/dbraw/zinc/14/79/09/563147909.db2.gz WVZHNBKEFNKNQK-RPBOFIJWSA-N 2 1 490.051 6.190 1 0 JKAFMP C[NH+]1CCC[C@@H]1c1ccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc2c1[C@@H]1CCC[N@@H+]1C ZINC000040763122 563147911 /nfs/dbraw/zinc/14/79/11/563147911.db2.gz WVZHNBKEFNKNQK-RPBOFIJWSA-N 2 1 490.051 6.190 1 0 JKAFMP C[NH+]1CCC[C@@H]1c1ccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc2c1[C@@H]1CCC[N@H+]1C ZINC000040763122 563147913 /nfs/dbraw/zinc/14/79/13/563147913.db2.gz WVZHNBKEFNKNQK-RPBOFIJWSA-N 2 1 490.051 6.190 1 0 JKAFMP CC[NH+](CC)CC(=O)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040776044 563148531 /nfs/dbraw/zinc/14/85/31/563148531.db2.gz GHQSUNITIQBZNO-ABQAWVCCSA-N 2 1 474.689 5.846 1 0 JKAFMP CC(C)NC(=[NH2+])c1ccc(CCc2ccc(-c3nc4ccc(C(=[NH2+])NC(C)C)cc4[nH]3)cc2)cc1 ZINC000040874398 563151961 /nfs/dbraw/zinc/15/19/61/563151961.db2.gz DNOZUODRTZEKLY-UHFFFAOYSA-N 2 1 466.633 5.662 1 0 JKAFMP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH+]2CCCCC2)cc(Nc2ccnc3ccc(Cl)cc32)c1 ZINC000043061631 563165832 /nfs/dbraw/zinc/16/58/32/563165832.db2.gz MWHROOHRHJUXDD-UHFFFAOYSA-N 2 1 492.067 6.042 1 0 JKAFMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)c3)CC2)C1 ZINC000045167568 563173324 /nfs/dbraw/zinc/17/33/24/563173324.db2.gz DDNGKUYSKPCJEI-VWLOTQADSA-N 2 1 479.672 5.356 1 0 JKAFMP [NH3+][C@H]1CCN(CC[NH2+]Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)C1 ZINC000045167848 563173436 /nfs/dbraw/zinc/17/34/36/563173436.db2.gz GDXMPLCXRQXSGI-QHCPKHFHSA-N 2 1 479.550 5.038 1 0 JKAFMP c1c[nH]c(-c2ccc(C[NH+]3CCc4ccc(N5CCC[N@H+](Cc6ccccc6)CC5)cc4CC3)cc2)n1 ZINC000045169135 563174030 /nfs/dbraw/zinc/17/40/30/563174030.db2.gz IHLJXVGKGIQKEQ-UHFFFAOYSA-N 2 1 491.683 5.390 1 0 JKAFMP c1c[nH]c(-c2ccc(C[N@H+]3CCc4ccc(N5CCC[NH+](Cc6ccccc6)CC5)cc4CC3)cc2)n1 ZINC000045169135 563174031 /nfs/dbraw/zinc/17/40/31/563174031.db2.gz IHLJXVGKGIQKEQ-UHFFFAOYSA-N 2 1 491.683 5.390 1 0 JKAFMP c1c[nH]c(-c2ccc(C[N@@H+]3CCc4ccc(N5CCC[NH+](Cc6ccccc6)CC5)cc4CC3)cc2)n1 ZINC000045169135 563174032 /nfs/dbraw/zinc/17/40/32/563174032.db2.gz IHLJXVGKGIQKEQ-UHFFFAOYSA-N 2 1 491.683 5.390 1 0 JKAFMP c1cc(-c2ccc3c(Nc4ccc(Oc5ccccn5)cc4)cc[nH+]c3c2)oc1C[NH+]1CCCCC1 ZINC000045187098 563174384 /nfs/dbraw/zinc/17/43/84/563174384.db2.gz CYGOHFHPUFEMOC-UHFFFAOYSA-N 2 1 476.580 7.412 1 0 JKAFMP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)[NH+]2CCC2)CC1 ZINC000045188869 563175057 /nfs/dbraw/zinc/17/50/57/563175057.db2.gz GPRJURLPMBOELP-GDLZYMKVSA-N 2 1 475.652 5.375 1 0 JKAFMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc(-c4ccc(C[NH2+]C5CCCC5)cc4)cc3)CC2)cc1 ZINC000045189257 563175196 /nfs/dbraw/zinc/17/51/96/563175196.db2.gz GKRIQTMHSZKVQV-UHFFFAOYSA-N 3 1 453.674 6.140 1 0 JKAFMP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@@H]6CCC[N@H+](C)C6)CC5)cc4)cc3)nc21 ZINC000045193490 563176654 /nfs/dbraw/zinc/17/66/54/563176654.db2.gz IDTRJMKYLHJUDY-AREMUKBSSA-N 2 1 493.699 5.665 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@@H]6CCC[N@@H+](C)C6)CC5)cc4)cc3)[nH]c21 ZINC000045193490 563176655 /nfs/dbraw/zinc/17/66/55/563176655.db2.gz IDTRJMKYLHJUDY-AREMUKBSSA-N 2 1 493.699 5.665 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@@H]6CCC[N@H+](C)C6)CC5)cc4)cc3)[nH]c21 ZINC000045193490 563176656 /nfs/dbraw/zinc/17/66/56/563176656.db2.gz IDTRJMKYLHJUDY-AREMUKBSSA-N 2 1 493.699 5.665 1 0 JKAFMP Fc1cc(C[NH+]2CCCC2)ccc1OCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000045209844 563179203 /nfs/dbraw/zinc/17/92/03/563179203.db2.gz VHSYKPDTNIDCCL-UHFFFAOYSA-N 2 1 466.428 5.319 1 0 JKAFMP O=S(=O)(Nc1ccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1)c1ccc2ccccc2c1 ZINC000045226643 563179727 /nfs/dbraw/zinc/17/97/27/563179727.db2.gz UFHNZHOCNXGFQH-UHFFFAOYSA-N 2 1 477.674 5.133 1 0 JKAFMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)cc4)c3)CC2)C1 ZINC000045226748 563179739 /nfs/dbraw/zinc/17/97/39/563179739.db2.gz UTALDSCILJYLOI-XMMPIXPASA-N 2 1 497.662 5.495 1 0 JKAFMP CCCC[C@H](C[NH2+]Cc1ccccc1)N1CC[N@@H+](CC2CCCCCC2)[C@H](Cc2ccc(O)cc2)C1 ZINC000045284376 563183620 /nfs/dbraw/zinc/18/36/20/563183620.db2.gz ORZNDHUCZUUQIO-FIRIVFDPSA-N 2 1 491.764 6.240 1 0 JKAFMP C[NH+](C)C12C[C@@H](c3ccc(Cl)cc3)C([C@H](c3ccc(Cl)cc3)C1)[N@@H+](CCc1ccccc1)CC2 ZINC000045303296 563187222 /nfs/dbraw/zinc/18/72/22/563187222.db2.gz FQCWPRLQQZITFX-HZVHRBLSSA-N 2 1 493.522 7.272 1 0 JKAFMP Fc1ccc2nc(-c3ccc(-c4ccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)cc4)cc3)[nH]c2c1 ZINC000045323552 563188873 /nfs/dbraw/zinc/18/88/73/563188873.db2.gz RPKYTJMLZBTZKB-UHFFFAOYSA-N 2 1 496.674 7.124 1 0 JKAFMP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccc(-c5ccc(C(F)(F)F)cc5)cc34)cc2)CC1 ZINC000058538203 563207008 /nfs/dbraw/zinc/20/70/08/563207008.db2.gz PWLARPCPJDTUFU-UHFFFAOYSA-N 2 1 462.519 6.416 1 0 JKAFMP FC(F)(F)Oc1ccc([C@@H]2C[N@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000058685728 563208689 /nfs/dbraw/zinc/20/86/89/563208689.db2.gz SMMVELORIHFJCC-UIOOFZCWSA-N 2 1 474.567 6.122 1 0 JKAFMP CC(C)C[C@H]1CC[C@]2(C1)C[C@H]([C@]13CC[C@H]([C@H]([NH3+])C1)C(C)(C)O3)C[C@H](Cc1ccc(N)[nH+]c1)C2 ZINC000085543263 291565120 /nfs/dbraw/zinc/56/51/20/291565120.db2.gz DUAGNIDWVUJSII-NYFQZSCRSA-N 2 1 453.715 6.130 1 0 biogenic,in-vitro JKAFMP c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@H]1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000195108718 581091151 /nfs/dbraw/zinc/09/11/51/581091151.db2.gz LVRVQELTVCNPQT-USCUKXROSA-N 2 1 464.742 6.206 1 0 JKAFMP c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@H]1CC[NH2+][C@H]2CCCC[C@H]12 ZINC000101269343 581091200 /nfs/dbraw/zinc/09/12/00/581091200.db2.gz LVRVQELTVCNPQT-QCVYLVASSA-N 2 1 464.742 6.206 1 0 JKAFMP CC[N@H+]1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@H]4[C@@H]5C[C@@H]6[C@@H](C[C@@H](C)C[C@@H]6[NH+](C)C5)C[C@@H]4[NH2+]3)C[C@H](C)C[C@H]21 ZINC000095918966 560054767 /nfs/dbraw/zinc/05/47/67/560054767.db2.gz KUAFTTDYFQSMKD-KZCJGXNNSA-N 3 1 455.775 5.646 1 0 biogenic,in-vitro JKAFMP CC[NH+]1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@H]4[C@@H]5C[C@@H]6[C@@H](C[C@@H](C)C[C@@H]6[N@H+](C)C5)C[C@@H]4[NH2+]3)C[C@H](C)C[C@H]21 ZINC000095918966 560054769 /nfs/dbraw/zinc/05/47/69/560054769.db2.gz KUAFTTDYFQSMKD-KZCJGXNNSA-N 3 1 455.775 5.646 1 0 biogenic,in-vitro JKAFMP CC[NH+]1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@H]4[C@@H]5C[C@@H]6[C@@H](C[C@@H](C)C[C@@H]6[N@@H+](C)C5)C[C@@H]4[NH2+]3)C[C@H](C)C[C@H]21 ZINC000095918966 560054771 /nfs/dbraw/zinc/05/47/71/560054771.db2.gz KUAFTTDYFQSMKD-KZCJGXNNSA-N 3 1 455.775 5.646 1 0 biogenic,in-vitro JKAFMP Brc1cc(Br)c2c(c1)[C@H]([NH2+]CCCNc1[nH]c3ccccc3[nH+]1)CCN2 ZINC000003927457 562930039 /nfs/dbraw/zinc/93/00/39/562930039.db2.gz AMXNANPJXQHROJ-OAHLLOKOSA-N 2 1 479.220 5.036 1 0 JKAFMP CCC[N@@H+](CCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)[C@H]1CCc2ccc(O)cc2C1 ZINC000013438635 562962693 /nfs/dbraw/zinc/96/26/93/562962693.db2.gz HUTRNXILWVFUDE-QHCPKHFHSA-N 2 1 490.519 5.871 1 0 JKAFMP Cn1c2ccccc2c(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1COc1ccc(Cl)cc1 ZINC000013766334 562990652 /nfs/dbraw/zinc/99/06/52/562990652.db2.gz PHVWIWDLCSPLSG-UHFFFAOYSA-N 2 1 466.069 5.904 1 0 JKAFMP Brc1cc(Br)c2c(c1)[C@@H]([NH2+]CCCNc1[nH]c3ccccc3[nH+]1)CCN2 ZINC000013918062 563004714 /nfs/dbraw/zinc/00/47/14/563004714.db2.gz AMXNANPJXQHROJ-HNNXBMFYSA-N 2 1 479.220 5.036 1 0 JKAFMP COc1ccc(Br)cc1-c1nc(C[NH2+]CC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)co1 ZINC000026176945 563023510 /nfs/dbraw/zinc/02/35/10/563023510.db2.gz PUTIADDALKYHRM-LJQANCHMSA-N 2 1 470.411 5.115 1 0 JKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[C@]4(CS3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000027518662 563044639 /nfs/dbraw/zinc/04/46/39/563044639.db2.gz WBMOHCBEBDKSBI-GUUMEGLWSA-N 2 1 494.745 7.306 1 0 JKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@@]3(CS[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000027518662 563044641 /nfs/dbraw/zinc/04/46/41/563044641.db2.gz WBMOHCBEBDKSBI-GUUMEGLWSA-N 2 1 494.745 7.306 1 0 JKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@@]3(CS[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000027518662 563044642 /nfs/dbraw/zinc/04/46/42/563044642.db2.gz WBMOHCBEBDKSBI-GUUMEGLWSA-N 2 1 494.745 7.306 1 0 JKAFMP C[C@H](C[NH+]1CCC([NH+](C)C)CC1)c1c2ccccc2sc1COc1ccc(Cl)cc1Cl ZINC000027526059 563045554 /nfs/dbraw/zinc/04/55/54/563045554.db2.gz VCNDHWSJWTZENG-QGZVFWFLSA-N 2 1 477.501 6.917 1 0 JKAFMP C[NH+](C)C1CC[NH+](CCc2c(/C=C/c3ccc(Cl)cc3Cl)sc3ccccc32)CC1 ZINC000027526906 563045686 /nfs/dbraw/zinc/04/56/86/563045686.db2.gz MOIDQEZYJUNWCN-CSKARUKUSA-N 2 1 459.486 6.947 1 0 JKAFMP Clc1ccc(CNCCC[NH2+]CCCCCCC[NH2+]CCC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000027651148 563048640 /nfs/dbraw/zinc/04/86/40/563048640.db2.gz CGGBMZPHLRKVKH-UHFFFAOYSA-N 3 1 493.567 5.783 1 0 JKAFMP CC[N@@H+](CCCNC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CC1CCCCC1 ZINC000028130036 563057200 /nfs/dbraw/zinc/05/72/00/563057200.db2.gz ASRRIQICWNITQV-UHFFFAOYSA-N 2 1 461.738 6.165 1 0 JKAFMP CCNC(=O)c1ccc(C(c2cccc(C[NH3+])c2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccoc2)cc1 ZINC000028397910 563063996 /nfs/dbraw/zinc/06/39/96/563063996.db2.gz DFULXWMDDNTBGP-MKPDMIMOSA-N 2 1 455.602 5.117 1 0 JKAFMP C[NH2+][C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)[N@H+](C)C[C@@]54[C@H](OC(=O)CC=C(C)C)C[C@@H]32)C1 ZINC000028520929 563066297 /nfs/dbraw/zinc/06/62/97/563066297.db2.gz BJEAHAPLWWPUQZ-XGHHNQJOSA-N 2 1 454.699 5.345 1 0 JKAFMP C[C@@H]1CCCC[N@H+]1CCCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1cccc2ccccc21 ZINC000028524975 563067349 /nfs/dbraw/zinc/06/73/49/563067349.db2.gz SVOKPCHDCYMYDC-HSZRJFAPSA-N 2 1 492.667 6.184 1 0 JKAFMP C[N@H+]1CCC[C@@H]1CCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1cccc2ccccc21 ZINC000028525519 563067620 /nfs/dbraw/zinc/06/76/20/563067620.db2.gz DQNLQLNKDWCSDB-AREMUKBSSA-N 2 1 464.613 5.404 1 0 JKAFMP C[NH+]1CCC([C@H](C[NH+]2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028645905 563073220 /nfs/dbraw/zinc/07/32/20/563073220.db2.gz RWOYIJLZFRIMKP-JGCGQSQUSA-N 2 1 487.707 6.045 1 0 JKAFMP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)cn4)ccc32)cc1 ZINC000028827082 563082854 /nfs/dbraw/zinc/08/28/54/563082854.db2.gz UCIGGFFPBMFKPO-MHZLTWQESA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cc(Oc4cc(C[NH+]5CCCCC5)ccn4)ccc32)cc1 ZINC000028827077 563082896 /nfs/dbraw/zinc/08/28/96/563082896.db2.gz AWKILERFBATDPB-HHHXNRCGSA-N 2 1 459.659 6.159 1 0 JKAFMP C[C@H](CC[C@H]1CC[N@@H+](C)C[C@H]1C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1C=C3C=C[C@@H]([NH+](C)C)C[C@]34CC[C@@]12O4 ZINC000028872584 563084322 /nfs/dbraw/zinc/08/43/22/563084322.db2.gz VLDPMNNSRDPUBG-IMWIXVRKSA-N 2 1 478.765 6.471 1 0 JKAFMP FC(F)(F)Oc1ccc([C@@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885832 563084917 /nfs/dbraw/zinc/08/49/17/563084917.db2.gz SMMVELORIHFJCC-IZZNHLLZSA-N 2 1 474.567 6.122 1 0 JKAFMP C[N@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2cc(Cl)ccc2Cl)C1 ZINC000028893075 563085302 /nfs/dbraw/zinc/08/53/02/563085302.db2.gz KRWTTWQHPPVRDH-HSZRJFAPSA-N 2 1 451.413 5.774 1 0 JKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2cc(Cl)ccc2Cl)C1 ZINC000028893075 563085303 /nfs/dbraw/zinc/08/53/03/563085303.db2.gz KRWTTWQHPPVRDH-HSZRJFAPSA-N 2 1 451.413 5.774 1 0 JKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000028893113 563085313 /nfs/dbraw/zinc/08/53/13/563085313.db2.gz NZPOPKFDIKJIRC-XMMPIXPASA-N 2 1 450.520 5.486 1 0 JKAFMP CC[C@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000031519763 563108428 /nfs/dbraw/zinc/10/84/28/563108428.db2.gz OHLRJZOLGDLFBC-LXFCCGDJSA-N 2 1 459.634 5.408 1 0 JKAFMP O[C@H]1C[C@H]2CCCCCC[C@@H]3CCN4CCC[C@@H](CCCCCC[C@@H]5CCN(C1)[C@H]2O5)[C@@H]4O3 ZINC000032296408 563109713 /nfs/dbraw/zinc/10/97/13/563109713.db2.gz GZPZPDSNGIBVLB-SIOWMNFYSA-N 2 1 462.719 5.306 1 0 JKAFMP C[NH+](C)CCOc1ccc(-c2[nH]c3nc[nH+]c(NCC4SCCS4)c3c2-c2ccccc2)cc1 ZINC000035850835 563120857 /nfs/dbraw/zinc/12/08/57/563120857.db2.gz RHDMCDPPAAUUMD-UHFFFAOYSA-N 2 1 491.686 5.450 1 0 in-vitro JKAFMP CO[C@@H]1CC[C@H]1CNc1[nH+]cnc2[nH]c(-c3ccc(OCC[NH+](C)C)cc3)c(-c3ccccc3)c21 ZINC000039470901 563136828 /nfs/dbraw/zinc/13/68/28/563136828.db2.gz IZQHOXWWRDCUSH-JTHBVZDNSA-N 2 1 471.605 5.069 1 0 JKAFMP Clc1ccc2c(c1)nccc2Nc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000040934215 563157313 /nfs/dbraw/zinc/15/73/13/563157313.db2.gz SXCHZJZOCXBKIN-AFMDSPMNSA-N 2 1 469.460 6.639 1 0 JKAFMP Clc1ccc([C@H](Nc2cc[nH+]c3cc(Cl)ccc23)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000040975751 563161930 /nfs/dbraw/zinc/16/19/30/563161930.db2.gz SHXACPDVVQQBFH-HHHXNRCGSA-N 2 1 462.424 7.339 1 0 JKAFMP CC(C)=C1CC[N@@H+]2[C@@H]1C[C@@H](C)[C@H]1[C@@H]2C[C@H]2C3=CC[C@H]4C[C@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044405841 563172590 /nfs/dbraw/zinc/17/25/90/563172590.db2.gz DDLGAIMIRZSOGX-AEMRNUKGSA-N 2 1 450.755 6.925 1 0 JKAFMP [NH3+][C@@H]1CCN(CC[NH2+]Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)C1 ZINC000045167850 563173432 /nfs/dbraw/zinc/17/34/32/563173432.db2.gz GDXMPLCXRQXSGI-HSZRJFAPSA-N 2 1 479.550 5.038 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)cc3)[nH]c21 ZINC000045169029 563174051 /nfs/dbraw/zinc/17/40/51/563174051.db2.gz WLOQFWUAZAHZQK-UHFFFAOYSA-N 2 1 459.597 5.923 1 0 JKAFMP c1ccc(CC[NH2+]Cc2ccc(-c3ccc(C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000045188913 563175078 /nfs/dbraw/zinc/17/50/78/563175078.db2.gz ZRRAYFGFDMYDRN-UHFFFAOYSA-N 3 1 490.695 5.835 1 0 JKAFMP c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CNC4CC[NH+](Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000045188913 563175079 /nfs/dbraw/zinc/17/50/79/563175079.db2.gz ZRRAYFGFDMYDRN-UHFFFAOYSA-N 2 1 490.695 5.835 1 0 JKAFMP COCC[NH2+]Cc1cccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)cc[nH+]c3c2)c1 ZINC000045191875 563176066 /nfs/dbraw/zinc/17/60/66/563176066.db2.gz NBFLVNYJWFSQQI-UHFFFAOYSA-N 2 1 475.592 7.174 1 0 JKAFMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)CC2)C1 ZINC000045192137 563176194 /nfs/dbraw/zinc/17/61/94/563176194.db2.gz MHRPYJRWKGMEQC-RUZDIDTESA-N 2 1 479.672 5.356 1 0 JKAFMP O=C(N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1)c1cc(Cl)cc(Cl)c1 ZINC000045194354 563177056 /nfs/dbraw/zinc/17/70/56/563177056.db2.gz RCKODHMULZNHCI-DEOSSOPVSA-N 2 1 490.475 5.253 1 0 JKAFMP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)c3)CC2)C1 ZINC000045202521 563178832 /nfs/dbraw/zinc/17/88/32/563178832.db2.gz GVSFRCFUHLUUJM-QHCPKHFHSA-N 2 1 485.701 5.418 1 0 JKAFMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)c3)CC2)C1 ZINC000045202521 563178833 /nfs/dbraw/zinc/17/88/33/563178833.db2.gz GVSFRCFUHLUUJM-QHCPKHFHSA-N 2 1 485.701 5.418 1 0 JKAFMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)cc4)cc3)CC2)C1 ZINC000045202939 563179149 /nfs/dbraw/zinc/17/91/49/563179149.db2.gz LSVGVGAFKYWUPM-XMMPIXPASA-N 2 1 497.662 5.495 1 0 JKAFMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)cc4)c3)CC2)C1 ZINC000045226746 563179815 /nfs/dbraw/zinc/17/98/15/563179815.db2.gz UTALDSCILJYLOI-DEOSSOPVSA-N 2 1 497.662 5.495 1 0 JKAFMP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@@H]6CCC[N@H+](C)C6)CC5)cc4)s3)nc21 ZINC000045227195 563179957 /nfs/dbraw/zinc/17/99/57/563179957.db2.gz IVMKRAYVVSIQNQ-XMMPIXPASA-N 2 1 499.728 5.726 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@@H]6CCC[N@@H+](C)C6)CC5)cc4)s3)[nH]c21 ZINC000045227195 563179958 /nfs/dbraw/zinc/17/99/58/563179958.db2.gz IVMKRAYVVSIQNQ-XMMPIXPASA-N 2 1 499.728 5.726 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@@H]6CCC[N@H+](C)C6)CC5)cc4)s3)[nH]c21 ZINC000045227195 563179959 /nfs/dbraw/zinc/17/99/59/563179959.db2.gz IVMKRAYVVSIQNQ-XMMPIXPASA-N 2 1 499.728 5.726 1 0 JKAFMP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)cc2)cc1 ZINC000045229438 563180793 /nfs/dbraw/zinc/18/07/93/563180793.db2.gz YBVHJEHMTWSBGL-UHFFFAOYSA-N 2 1 492.570 6.726 1 0 JKAFMP O=C(NCc1cccc(Br)c1)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045229935 563180945 /nfs/dbraw/zinc/18/09/45/563180945.db2.gz PGFWRYBOIOKHCF-UHFFFAOYSA-N 2 1 492.461 5.133 1 0 JKAFMP c1ccc(C[N@H+]2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045255063 563182532 /nfs/dbraw/zinc/18/25/32/563182532.db2.gz FWZLWQQVGRBNON-HWOSFROGSA-N 2 1 450.670 6.847 1 0 JKAFMP c1ccc(CC[N@H+]2CCC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045257518 563182872 /nfs/dbraw/zinc/18/28/72/563182872.db2.gz IICFZHYLKLBMKX-HWOSFROGSA-N 2 1 450.670 6.499 1 0 JKAFMP Fc1ccc2nc(-c3ccc(-c4cccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)c4)cc3)[nH]c2c1 ZINC000045301628 563185870 /nfs/dbraw/zinc/18/58/70/563185870.db2.gz LNRGPOKJFSHBOZ-UHFFFAOYSA-N 2 1 496.674 7.124 1 0 JKAFMP O[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(-c3c[nH]c4nc(NC5CCCC5)[nH+]cc34)c2)C1 ZINC000045301951 563186060 /nfs/dbraw/zinc/18/60/60/563186060.db2.gz SFLILKNHOREOPZ-MUUNZHRXSA-N 2 1 453.590 5.073 1 0 JKAFMP O[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(-c3c[nH]c4nc(NC5CCCC5)[nH+]cc34)c2)C1 ZINC000045301951 563186062 /nfs/dbraw/zinc/18/60/62/563186062.db2.gz SFLILKNHOREOPZ-MUUNZHRXSA-N 2 1 453.590 5.073 1 0 JKAFMP Fc1ccc(Nc2cc[nH+]c3cc(-c4cccc(C[NH2+]CCN5CCOCC5)c4)ccc23)c(Cl)c1 ZINC000045323202 563188759 /nfs/dbraw/zinc/18/87/59/563188759.db2.gz CMECLDURCGCBMY-UHFFFAOYSA-N 2 1 491.010 5.860 1 0 JKAFMP C[NH+]1CCC([NH2+]Cc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)CC1 ZINC000045323102 563188780 /nfs/dbraw/zinc/18/87/80/563188780.db2.gz NEMNRRZYJRHHQR-UHFFFAOYSA-N 2 1 464.535 6.100 1 0 JKAFMP CC[C@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CC[NH+]1C ZINC000045324237 563189128 /nfs/dbraw/zinc/18/91/28/563189128.db2.gz YFVKRDMXSKCSGH-QILUIRDISA-N 2 1 473.661 5.750 1 0 JKAFMP CC[C@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CC[NH+]1C ZINC000045324237 563189129 /nfs/dbraw/zinc/18/91/29/563189129.db2.gz YFVKRDMXSKCSGH-QILUIRDISA-N 2 1 473.661 5.750 1 0 JKAFMP CC[C@H]1C[NH+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1C ZINC000045324237 563189130 /nfs/dbraw/zinc/18/91/30/563189130.db2.gz YFVKRDMXSKCSGH-QILUIRDISA-N 2 1 473.661 5.750 1 0 JKAFMP CC[C@H]1C[NH+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1C ZINC000045324237 563189131 /nfs/dbraw/zinc/18/91/31/563189131.db2.gz YFVKRDMXSKCSGH-QILUIRDISA-N 2 1 473.661 5.750 1 0 JKAFMP c1[nH]c2ccccc2c1C1CC[NH+](CCCCOc2ccc3c(c2)CC[N@H+](CC2CC2)CC3)CC1 ZINC000045336229 563190246 /nfs/dbraw/zinc/19/02/46/563190246.db2.gz LXCYASMEZYQPFT-UHFFFAOYSA-N 2 1 471.689 6.017 1 0 JKAFMP Cc1[nH]nc2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5cc[nH+]cc45)cnc3-c3ccoc3)cc12 ZINC000045347222 563191289 /nfs/dbraw/zinc/19/12/89/563191289.db2.gz MFRVBNSUIBWIRX-FQEVSTJZSA-N 2 1 464.529 5.018 1 0 JKAFMP c1c2ccccc2[nH]c1C[N@H+](Cc1ccc(C[NH2+]Cc2ccccn2)cc1)[C@@H]1CCCc2cccnc21 ZINC000049070940 563201297 /nfs/dbraw/zinc/20/12/97/563201297.db2.gz IEWXODVRBFFDRL-WJOKGBTCSA-N 2 1 487.651 6.328 1 0 JKAFMP Cc1c(C[NH+]2CCCC2)cc(-c2ccc(Cl)cc2)n1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000058575530 563207664 /nfs/dbraw/zinc/20/76/64/563207664.db2.gz PZBBTLPXPGKJKX-UHFFFAOYSA-N 2 1 493.482 7.417 1 0 JKAFMP c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@H]1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000169290522 581091185 /nfs/dbraw/zinc/09/11/85/581091185.db2.gz LVRVQELTVCNPQT-ZDSCYBARSA-N 2 1 464.742 6.206 1 0 JKAFMP CC(=O)N1CCC[C@@H]2[C@@H](C[C@H]3CC[C@@H]4[C@@H]5C[C@@H]6[C@@H](C[C@@H](C)C[C@@H]6[N@@H+](C)C5)C[C@@H]4[NH2+]3)C[C@H](C)C[C@@H]21 ZINC000103551764 560051704 /nfs/dbraw/zinc/05/17/04/560051704.db2.gz VDFRKVDBZHAYRF-NNUQZRKVSA-N 2 1 469.758 5.173 1 0 biogenic,in-vitro JKAFMP CC(=O)N1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@H]4[C@@H]5C[C@@H]6[C@@H](C[C@@H](C)C[C@@H]6[N@@H+](C)C5)C[C@@H]4[NH2+]3)C[C@H](C)C[C@H]21 ZINC000095910567 560058543 /nfs/dbraw/zinc/05/85/43/560058543.db2.gz VDFRKVDBZHAYRF-DCUMCJQPSA-N 2 1 469.758 5.173 1 0 biogenic,in-vitro JKAFMP CCC[NH+](CCC)CCC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 ZINC000013651512 562981710 /nfs/dbraw/zinc/98/17/10/562981710.db2.gz PCBHZADDAGCTKH-UHFFFAOYSA-N 2 1 462.638 5.141 1 0 JKAFMP Cn1c2ccccc2c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1COc1ccc(Cl)cc1 ZINC000013766332 562990624 /nfs/dbraw/zinc/99/06/24/562990624.db2.gz VXWFKWYIVABMRT-UHFFFAOYSA-N 2 1 452.042 5.861 1 0 JKAFMP c1[nH]c2ccc(-n3cnnc3)cc2c1CCC[NH+]1CCC([N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC000013802566 562994510 /nfs/dbraw/zinc/99/45/10/562994510.db2.gz WGWBIIDCWJHIOA-LJAQVGFWSA-N 2 1 468.649 5.373 1 0 JKAFMP C[N@H+](CCc1ccc(F)cc1)C[C@H]1CCC[NH+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000013803919 562994819 /nfs/dbraw/zinc/99/48/19/562994819.db2.gz XVRWPBKYLFMIHN-AREMUKBSSA-N 2 1 460.637 5.818 1 0 JKAFMP C[N@@H+](CCc1ccc(F)cc1)C[C@H]1CCC[NH+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000013803919 562994820 /nfs/dbraw/zinc/99/48/20/562994820.db2.gz XVRWPBKYLFMIHN-AREMUKBSSA-N 2 1 460.637 5.818 1 0 JKAFMP C[NH+](CCc1ccc(F)cc1)C[C@H]1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000013803919 562994821 /nfs/dbraw/zinc/99/48/21/562994821.db2.gz XVRWPBKYLFMIHN-AREMUKBSSA-N 2 1 460.637 5.818 1 0 JKAFMP C[NH+](CCc1ccc(F)cc1)C[C@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000013803919 562994822 /nfs/dbraw/zinc/99/48/22/562994822.db2.gz XVRWPBKYLFMIHN-AREMUKBSSA-N 2 1 460.637 5.818 1 0 JKAFMP OC1(CCCc2ccncc2)CC[NH+](C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013819416 562997231 /nfs/dbraw/zinc/99/72/31/562997231.db2.gz KEFFMDUPEITWQA-XZWHSSHBSA-N 2 1 475.721 5.527 1 0 JKAFMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCCCN1c2ccccc2O[C@@H](c2cccc(C(N)=[NH2+])c2)C1=O ZINC000013834511 563001087 /nfs/dbraw/zinc/00/10/87/563001087.db2.gz QDMSHMPLJZNLCK-UZINWLIJSA-N 2 1 462.638 5.261 1 0 JKAFMP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000013859945 563001779 /nfs/dbraw/zinc/00/17/79/563001779.db2.gz DBISFANLRPNEFE-ACHIHNKUSA-N 4 1 492.796 6.396 1 0 JKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000013859945 563001783 /nfs/dbraw/zinc/00/17/83/563001783.db2.gz DBISFANLRPNEFE-ACHIHNKUSA-N 3 1 492.796 6.396 1 0 JKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@H+]3C)c2)c1 ZINC000013859945 563001785 /nfs/dbraw/zinc/00/17/85/563001785.db2.gz DBISFANLRPNEFE-ACHIHNKUSA-N 3 1 492.796 6.396 1 0 JKAFMP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000013859943 563001853 /nfs/dbraw/zinc/00/18/53/563001853.db2.gz QUKVKOJRMAZZNV-KYJUHHDHSA-N 4 1 464.742 5.616 1 0 JKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000013859943 563001856 /nfs/dbraw/zinc/00/18/56/563001856.db2.gz QUKVKOJRMAZZNV-KYJUHHDHSA-N 3 1 464.742 5.616 1 0 JKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@H+]3C)c2)c1 ZINC000013859943 563001857 /nfs/dbraw/zinc/00/18/57/563001857.db2.gz QUKVKOJRMAZZNV-KYJUHHDHSA-N 3 1 464.742 5.616 1 0 JKAFMP COC(=O)N(CC1CCCC1)C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 ZINC000026655596 563032364 /nfs/dbraw/zinc/03/23/64/563032364.db2.gz GDFLQYPZLFZIII-MFMCTBQISA-N 2 1 489.704 5.625 1 0 JKAFMP COC(=O)c1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000026665072 563032904 /nfs/dbraw/zinc/03/29/04/563032904.db2.gz QVUSLFAVRYPDRJ-XZWHSSHBSA-N 2 1 468.641 5.568 1 0 JKAFMP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2CNc2ccc(Cl)cc2Cl)CC1 ZINC000027546509 563045772 /nfs/dbraw/zinc/04/57/72/563045772.db2.gz NENJOUUKLFZAFH-UHFFFAOYSA-N 2 1 462.490 6.389 1 0 JKAFMP CCOc1c(Br)cc(Br)cc1C[NH2+]CCCNc1[nH]c2ccccc2[nH+]1 ZINC000028337760 563060123 /nfs/dbraw/zinc/06/01/23/563060123.db2.gz MOLAOAJXMAKTPM-UHFFFAOYSA-N 2 1 482.220 5.078 1 0 JKAFMP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cccc(Oc4ccnc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827070 563082667 /nfs/dbraw/zinc/08/26/67/563082667.db2.gz AHDIGRGVUXUPBL-SANMLTNESA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cc(Oc4ccnc(C[NH+]5CCCCC5)c4)ccc32)cc1 ZINC000028827069 563082687 /nfs/dbraw/zinc/08/26/87/563082687.db2.gz JIAHUHYIBFOBFK-MUUNZHRXSA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cc(Oc4cccc(C[NH+]5CCCCC5)n4)ccc32)cc1 ZINC000028827062 563082758 /nfs/dbraw/zinc/08/27/58/563082758.db2.gz UGDRNJYUOIZTTP-MHZLTWQESA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)cn4)ccc32)cc1 ZINC000028827083 563082913 /nfs/dbraw/zinc/08/29/13/563082913.db2.gz UCIGGFFPBMFKPO-HHHXNRCGSA-N 2 1 459.659 6.159 1 0 JKAFMP CC[NH+](CC)CC(=O)O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863266 563083469 /nfs/dbraw/zinc/08/34/69/563083469.db2.gz GHQSUNITIQBZNO-KVSLOUQESA-N 2 1 474.689 5.846 1 0 JKAFMP FC(F)(F)c1ccc([C@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885751 563084908 /nfs/dbraw/zinc/08/49/08/563084908.db2.gz TXSBAVHEFNFOJQ-CLJLJLNGSA-N 2 1 458.568 6.243 1 0 JKAFMP FC(F)(F)c1cccc([C@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1 ZINC000028885825 563084922 /nfs/dbraw/zinc/08/49/22/563084922.db2.gz VKNVUSIACZZCCO-CLJLJLNGSA-N 2 1 458.568 6.243 1 0 JKAFMP FC(F)(F)c1cccc([C@@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1 ZINC000028885818 563084945 /nfs/dbraw/zinc/08/49/45/563084945.db2.gz VKNVUSIACZZCCO-IZZNHLLZSA-N 2 1 458.568 6.243 1 0 JKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000028893066 563085263 /nfs/dbraw/zinc/08/52/63/563085263.db2.gz UWWLHNUJLKTVOD-QFIPXVFZSA-N 2 1 451.413 5.774 1 0 JKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000028893070 563085288 /nfs/dbraw/zinc/08/52/88/563085288.db2.gz UWWLHNUJLKTVOD-JOCHJYFZSA-N 2 1 451.413 5.774 1 0 JKAFMP COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@H](Nc3cc(C)c4ccc(OC)cc4[nH+]3)C2)c1 ZINC000028951093 563087058 /nfs/dbraw/zinc/08/70/58/563087058.db2.gz VJSXNOMGSYDDRP-OALUTQOASA-N 2 1 484.438 5.836 1 0 JKAFMP COc1ccc2c(C)cc(N[C@H]3CC[C@H]([NH2+]Cc4cn(C)c5c4ccc4cccnc54)C3)[nH+]c2c1 ZINC000028951160 563087081 /nfs/dbraw/zinc/08/70/81/563087081.db2.gz OCYOCCVPAPEXPF-VXKWHMMOSA-N 2 1 465.601 5.715 1 0 JKAFMP COc1c2ccccc2c(OC)c(C(F)(F)F)c1C[NH2+]CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029134777 563098007 /nfs/dbraw/zinc/09/80/07/563098007.db2.gz YCKMUDRIHIRUGN-UHFFFAOYSA-N 2 1 489.925 6.279 1 0 JKAFMP COc1ccc2[nH+]ccc(N[C@H](c3ccc(C[NH+]4CCOCC4)cc3)c3cccc(Cl)c3)c2c1 ZINC000040955361 563160742 /nfs/dbraw/zinc/16/07/42/563160742.db2.gz ALEMYDUCQFOTCW-MUUNZHRXSA-N 2 1 474.004 5.931 1 0 JKAFMP CN(CC[NH+](C)C)Cc1ccc(-c2ccc3c(Nc4ccc(Cl)cc4F)cc[nH+]c3c2)o1 ZINC000045167558 563173321 /nfs/dbraw/zinc/17/33/21/563173321.db2.gz KCIIFMFCRCWWJN-UHFFFAOYSA-N 2 1 452.961 6.024 1 0 JKAFMP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)[NH+]2CCC2)CC1 ZINC000045188866 563175075 /nfs/dbraw/zinc/17/50/75/563175075.db2.gz GPRJURLPMBOELP-LJAQVGFWSA-N 2 1 475.652 5.375 1 0 JKAFMP Fc1ccc(Nc2cc[nH+]c3cc(-c4ccc(C[NH2+]CCN5CCOCC5)o4)ccc23)c(Cl)c1 ZINC000045201342 563178114 /nfs/dbraw/zinc/17/81/14/563178114.db2.gz NCTBNAAGEFFQBV-UHFFFAOYSA-N 2 1 480.971 5.453 1 0 JKAFMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3-c3cccc(C[NH2+]C4CCCC4)c3)CC2)cc1 ZINC000045202030 563178581 /nfs/dbraw/zinc/17/85/81/563178581.db2.gz BDIHULCZZJDTRC-UHFFFAOYSA-N 3 1 453.674 6.140 1 0 JKAFMP c1[nH]c2cnccc2c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3ccccc3[nH]1)Cc1ccccc1O2 ZINC000045211399 563179654 /nfs/dbraw/zinc/17/96/54/563179654.db2.gz PKRZFCGIRUPBIV-UHFFFAOYSA-N 2 1 477.612 5.474 1 0 JKAFMP Clc1ccc2c(NCCC[NH2+]CCCC[NH+](Cc3ccccc3)Cc3ccccc3)cc[nH+]c2c1 ZINC000045283725 563183440 /nfs/dbraw/zinc/18/34/40/563183440.db2.gz IHKKZTJFXOGDFY-UHFFFAOYSA-N 3 1 487.091 6.762 1 0 JKAFMP c1cc(-c2ccc3c(Nc4ccc(Oc5ccccn5)cc4)cc[nH+]c3c2)oc1CN1CC[NH2+]CC1 ZINC000045301762 563185863 /nfs/dbraw/zinc/18/58/63/563185863.db2.gz CNVBLLQPXZIKHE-UHFFFAOYSA-N 2 1 477.568 5.831 1 0 JKAFMP c1ccc([C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[N@H+](CCN2CCCC2)CC3)cc1 ZINC000045318136 563187685 /nfs/dbraw/zinc/18/76/85/563187685.db2.gz YEVODQQXWVKPAP-YVGDEESBSA-N 2 1 457.706 5.743 1 0 JKAFMP c1ccc([C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[N@@H+](CCN2CCCC2)CC3)cc1 ZINC000045318136 563187687 /nfs/dbraw/zinc/18/76/87/563187687.db2.gz YEVODQQXWVKPAP-YVGDEESBSA-N 2 1 457.706 5.743 1 0 JKAFMP FC(F)(F)c1cc2[nH]c(C[NH2+]CCCNc3[nH]c4ccccc4[nH+]3)cc2c(C(F)(F)F)c1 ZINC000045321770 563188276 /nfs/dbraw/zinc/18/82/76/563188276.db2.gz KTJMIBFMCDZTEU-UHFFFAOYSA-N 2 1 455.406 5.674 1 0 JKAFMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4cccc(-c5nc6cc(F)ccc6[nH]5)c4)cc3)CC2)C1 ZINC000045324510 563189298 /nfs/dbraw/zinc/18/92/98/563189298.db2.gz WOYKSHGQBKORJV-XMMPIXPASA-N 2 1 497.662 5.495 1 0 JKAFMP OC1(Cc2ccccc2)CC[NH+](Cc2cccc(-c3c[nH]c4nc(NC5CCCC5)[nH+]cc34)c2)CC1 ZINC000045334637 563189572 /nfs/dbraw/zinc/18/95/72/563189572.db2.gz YFKCSQQOCPFJED-UHFFFAOYSA-N 2 1 481.644 5.549 1 0 JKAFMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4csc(-c5nc6ccccc6[nH]5)c4)c3)CC2)C1 ZINC000045355917 563192301 /nfs/dbraw/zinc/19/23/01/563192301.db2.gz FIKJWVAKCOLNCB-QHCPKHFHSA-N 2 1 485.701 5.418 1 0 JKAFMP O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCc2cc3nccc(N4CC[N@H+]5CCC[C@H]5C4)c3cc21 ZINC000052996436 563204919 /nfs/dbraw/zinc/20/49/19/563204919.db2.gz KWEBCIGEIWBNGJ-QFIPXVFZSA-N 2 1 499.014 5.636 1 0 JKAFMP O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCc2cc3[nH+]ccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000052996436 563204920 /nfs/dbraw/zinc/20/49/20/563204920.db2.gz KWEBCIGEIWBNGJ-QFIPXVFZSA-N 2 1 499.014 5.636 1 0 JKAFMP O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCc2cc3[nH+]ccc(N4CC[N@H+]5CCC[C@H]5C4)c3cc21 ZINC000052996436 563204921 /nfs/dbraw/zinc/20/49/21/563204921.db2.gz KWEBCIGEIWBNGJ-QFIPXVFZSA-N 2 1 499.014 5.636 1 0 JKAFMP FC(F)(F)c1ccc([C@@H]2C[N@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000058509666 563206784 /nfs/dbraw/zinc/20/67/84/563206784.db2.gz TXSBAVHEFNFOJQ-UIOOFZCWSA-N 2 1 458.568 6.243 1 0 JKAFMP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccc(-c5cccc(C(F)(F)F)c5)cc34)cc2)CC1 ZINC000058538355 563207045 /nfs/dbraw/zinc/20/70/45/563207045.db2.gz UZEDLEVQHJATDH-UHFFFAOYSA-N 2 1 462.519 6.416 1 0 JKAFMP C[N@@H+](CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000006744683 562938254 /nfs/dbraw/zinc/93/82/54/562938254.db2.gz YIFIESCJSCAHBP-UHFFFAOYSA-N 2 1 497.687 5.468 1 0 JKAFMP CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2c3cc(O)ccc3[nH]c21 ZINC000013099111 562961223 /nfs/dbraw/zinc/96/12/23/562961223.db2.gz JRVWIILYWSBUMC-NDKONCKKSA-N 2 1 475.633 5.113 3 0 JKAFMP C[N@H+](CCc1ccc(F)cc1)C[C@@H]1CCC[NH+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000013803917 562994883 /nfs/dbraw/zinc/99/48/83/562994883.db2.gz XVRWPBKYLFMIHN-SANMLTNESA-N 2 1 460.637 5.818 1 0 JKAFMP C[N@@H+](CCc1ccc(F)cc1)C[C@@H]1CCC[NH+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000013803917 562994885 /nfs/dbraw/zinc/99/48/85/562994885.db2.gz XVRWPBKYLFMIHN-SANMLTNESA-N 2 1 460.637 5.818 1 0 JKAFMP C[NH+](CCc1ccc(F)cc1)C[C@@H]1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000013803917 562994887 /nfs/dbraw/zinc/99/48/87/562994887.db2.gz XVRWPBKYLFMIHN-SANMLTNESA-N 2 1 460.637 5.818 1 0 JKAFMP C[NH+](CCc1ccc(F)cc1)C[C@@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000013803917 562994888 /nfs/dbraw/zinc/99/48/88/562994888.db2.gz XVRWPBKYLFMIHN-SANMLTNESA-N 2 1 460.637 5.818 1 0 JKAFMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCCCN1c2ccccc2O[C@H](c2cccc(C(N)=[NH2+])c2)C1=O ZINC000013834510 563001027 /nfs/dbraw/zinc/00/10/27/563001027.db2.gz QDMSHMPLJZNLCK-YZIHRLCOSA-N 2 1 462.638 5.261 1 0 JKAFMP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000013859942 563001821 /nfs/dbraw/zinc/00/18/21/563001821.db2.gz OXAXIRWVURIZBJ-VMPREFPWSA-N 4 1 450.715 5.226 1 0 JKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000013859942 563001826 /nfs/dbraw/zinc/00/18/26/563001826.db2.gz OXAXIRWVURIZBJ-VMPREFPWSA-N 3 1 450.715 5.226 1 0 JKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc([C@@H]3CCC[N@H+]3C)c2)c1 ZINC000013859942 563001827 /nfs/dbraw/zinc/00/18/27/563001827.db2.gz OXAXIRWVURIZBJ-VMPREFPWSA-N 3 1 450.715 5.226 1 0 JKAFMP CC[NH+](CC)Cc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026671495 563033327 /nfs/dbraw/zinc/03/33/27/563033327.db2.gz BWBVBRWUSUPAGL-UHFFFAOYSA-N 2 1 480.056 5.898 1 0 JKAFMP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026675551 563033552 /nfs/dbraw/zinc/03/35/52/563033552.db2.gz VWBCXSGNKRGGGI-UHFFFAOYSA-N 2 1 492.067 6.042 1 0 JKAFMP C[N@@H+](C[C@@H](CC[NH+]1CCC(CCCc2ccccc2)CC1)c1ccccc1)CC1CCCCC1 ZINC000026844840 563037000 /nfs/dbraw/zinc/03/70/00/563037000.db2.gz RMJKBCQACIGDBG-JGCGQSQUSA-N 2 1 460.750 7.407 1 0 JKAFMP C[N@@H+](C[C@H](CC[NH+]1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)CC1CCCCC1 ZINC000026845477 563037167 /nfs/dbraw/zinc/03/71/67/563037167.db2.gz VCBMVUPAVJTUCJ-HKBQPEDESA-N 2 1 476.749 6.522 1 0 JKAFMP [NH2+]=C(NC1CCCC1)c1ccc(-c2ccc(-c3nc4ccc(C(=[NH2+])NC5CCCC5)cc4[nH]3)o2)cc1 ZINC000027303191 563042425 /nfs/dbraw/zinc/04/24/25/563042425.db2.gz MDWLEANZLZWRKW-UHFFFAOYSA-N 2 1 480.616 6.205 1 0 JKAFMP CCCC[NH+](CCCC)CCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000027638038 563047903 /nfs/dbraw/zinc/04/79/03/563047903.db2.gz FVWVRVNTEAFOPI-UHFFFAOYSA-N 3 1 474.137 5.600 1 0 JKAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824110 563081783 /nfs/dbraw/zinc/08/17/83/563081783.db2.gz PIAXFSZWLUXWOO-REUBFRLUSA-N 2 1 497.127 5.077 1 0 JKAFMP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cc(Oc4cc(C[NH+]5CCCCC5)ccn4)ccc32)cc1 ZINC000028827076 563082676 /nfs/dbraw/zinc/08/26/76/563082676.db2.gz AWKILERFBATDPB-MHZLTWQESA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cc(Oc4cccc(C[NH+]5CCCCC5)n4)ccc32)cc1 ZINC000028827063 563082702 /nfs/dbraw/zinc/08/27/02/563082702.db2.gz UGDRNJYUOIZTTP-HHHXNRCGSA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cc(Oc4cncc(C[NH+]5CCCCC5)c4)ccc32)cc1 ZINC000028827072 563082723 /nfs/dbraw/zinc/08/27/23/563082723.db2.gz NZWFFJWOAKYYID-NDEPHWFRSA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)cc4)ccc32)cc1 ZINC000028827078 563082869 /nfs/dbraw/zinc/08/28/69/563082869.db2.gz XCHACIZNQYTKBT-LJAQVGFWSA-N 2 1 458.671 6.764 1 0 JKAFMP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)nc4)ccc32)cc1 ZINC000028827080 563082875 /nfs/dbraw/zinc/08/28/75/563082875.db2.gz VLEAGNJHWYVHPR-NDEPHWFRSA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCC(F)CC5)cn4)ccc32)cc1 ZINC000028827087 563082908 /nfs/dbraw/zinc/08/29/08/563082908.db2.gz KWIGMVZMURUWHZ-HHHXNRCGSA-N 2 1 477.649 6.107 1 0 JKAFMP FC(F)(F)c1ccc([C@@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885745 563084920 /nfs/dbraw/zinc/08/49/20/563084920.db2.gz TXSBAVHEFNFOJQ-IZZNHLLZSA-N 2 1 458.568 6.243 1 0 JKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000028893108 563085268 /nfs/dbraw/zinc/08/52/68/563085268.db2.gz NZPOPKFDIKJIRC-DEOSSOPVSA-N 2 1 450.520 5.486 1 0 JKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000028893098 563085280 /nfs/dbraw/zinc/08/52/80/563085280.db2.gz OCBPATCVPDEFSN-DEOSSOPVSA-N 2 1 450.520 5.486 1 0 JKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2ccc(SC(F)(F)F)cc2)C1 ZINC000028893158 563085390 /nfs/dbraw/zinc/08/53/90/563085390.db2.gz FYQWSOGFMUPHGU-XMMPIXPASA-N 2 1 482.587 6.079 1 0 JKAFMP COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4ccc(S(C)(=O)=O)cc4Cl)C3)[nH+]c2c1 ZINC000028951129 563087117 /nfs/dbraw/zinc/08/71/17/563087117.db2.gz VMQFUMMMSSYUEF-OALUTQOASA-N 2 1 488.053 5.122 1 0 JKAFMP COc1cc(C[N@@H+](CCNc2ccnc3cc(Cl)ccc32)C(C)C)c(OC)c2ccccc12 ZINC000029134947 563098002 /nfs/dbraw/zinc/09/80/02/563098002.db2.gz ZOTAZHDSXJLRQN-UHFFFAOYSA-N 2 1 464.009 6.381 1 0 JKAFMP COc1cc(C[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)C(C)C)c(OC)c2ccccc12 ZINC000029134947 563098004 /nfs/dbraw/zinc/09/80/04/563098004.db2.gz ZOTAZHDSXJLRQN-UHFFFAOYSA-N 2 1 464.009 6.381 1 0 JKAFMP COc1cc(C[N@@H+](CCNc2ccnc3cc(Cl)ccc32)CC(C)C)c(OC)c2ccccc12 ZINC000029134779 563098032 /nfs/dbraw/zinc/09/80/32/563098032.db2.gz WJSWMCSBBCRPBP-UHFFFAOYSA-N 2 1 478.036 6.629 1 0 JKAFMP COc1cc(C[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC(C)C)c(OC)c2ccccc12 ZINC000029134779 563098034 /nfs/dbraw/zinc/09/80/34/563098034.db2.gz WJSWMCSBBCRPBP-UHFFFAOYSA-N 2 1 478.036 6.629 1 0 JKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(-c4nc5ccc(C(=[NH2+])NC(C)C)cc5[nH]4)cc3)nc2c1 ZINC000029467492 563104213 /nfs/dbraw/zinc/10/42/13/563104213.db2.gz ASKCGDWGYGTZBM-UHFFFAOYSA-N 2 1 478.604 5.420 1 0 JKAFMP c1ccc(CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccn3)cc2)[C@H]2CCCc3cccnc32)nc1 ZINC000033974909 563111468 /nfs/dbraw/zinc/11/14/68/563111468.db2.gz MXYQOQASCBNUDZ-LJAQVGFWSA-N 2 1 463.629 5.284 1 0 JKAFMP c1ccc(-c2ccccc2CNCCC[NH2+]CCCC[NH2+]Cc2ccccc2-c2ccccc2)cc1 ZINC000034893607 563117431 /nfs/dbraw/zinc/11/74/31/563117431.db2.gz ALKXUYQCHHFGGE-UHFFFAOYSA-N 2 1 477.696 6.660 1 0 JKAFMP C[N@H+](CCCNc1cc[nH+]c2cc(Cl)ccc12)CCCN1c2ccccc2CCc2ccccc21 ZINC000038270185 563133772 /nfs/dbraw/zinc/13/37/72/563133772.db2.gz PDWQYJAOQFZCCO-UHFFFAOYSA-N 2 1 485.075 6.949 1 0 JKAFMP C[N@@H+](CCCNc1cc[nH+]c2cc(Cl)ccc12)CCCN1c2ccccc2CCc2ccccc21 ZINC000038270185 563133773 /nfs/dbraw/zinc/13/37/73/563133773.db2.gz PDWQYJAOQFZCCO-UHFFFAOYSA-N 2 1 485.075 6.949 1 0 JKAFMP O=C(C[NH+]1CCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040767541 563148529 /nfs/dbraw/zinc/14/85/29/563148529.db2.gz MVOHQJXRNOPLDL-FEVPWDCHSA-N 2 1 458.646 5.210 1 0 JKAFMP Nc1ccc(-c2ccccc2F)cc1NC(=O)c1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC000040914100 563155124 /nfs/dbraw/zinc/15/51/24/563155124.db2.gz HSHBIVVLOXFRND-UHFFFAOYSA-N 2 1 458.581 5.045 1 0 JKAFMP COc1ccc2[nH+]ccc(N[C@@H](c3ccc(C[NH+]4CCOCC4)cc3)c3cccc(Cl)c3)c2c1 ZINC000040955358 563160694 /nfs/dbraw/zinc/16/06/94/563160694.db2.gz ALEMYDUCQFOTCW-NDEPHWFRSA-N 2 1 474.004 5.931 1 0 JKAFMP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)[N@H+](C)C[C@@]54CC[C@@H]32)C1 ZINC000044352332 563172196 /nfs/dbraw/zinc/17/21/96/563172196.db2.gz DDLNRLXMPCNPAF-IQPILQITSA-N 2 1 455.731 5.080 1 0 JKAFMP c1cncc(Oc2ccc(Nc3cc[nH+]c4cc(-c5cccc(C[NH+]6CCCCC6)c5)ccc34)cc2)c1 ZINC000045167388 563173111 /nfs/dbraw/zinc/17/31/11/563173111.db2.gz CSDXTIFNRYQTFV-UHFFFAOYSA-N 2 1 486.619 7.819 1 0 JKAFMP Fc1ccc2nc(-c3cccc(-c4ccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)cc4)c3)[nH]c2c1 ZINC000045191408 563175746 /nfs/dbraw/zinc/17/57/46/563175746.db2.gz YDMHQSFMOCQWOK-UHFFFAOYSA-N 2 1 496.674 7.124 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)cc4)cc3)[nH]c21 ZINC000045192250 563176125 /nfs/dbraw/zinc/17/61/25/563176125.db2.gz ZRZNKWIAVFOOJR-UHFFFAOYSA-N 2 1 492.711 7.293 1 0 JKAFMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4cccc(-c5nc6ccccc6[nH]5)c4)c3)CC2)C1 ZINC000045195839 563177740 /nfs/dbraw/zinc/17/77/40/563177740.db2.gz NLQDBBUYGJFYMW-VWLOTQADSA-N 2 1 479.672 5.356 1 0 JKAFMP C[N@@H+](Cc1ccncc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 ZINC000045202339 563178742 /nfs/dbraw/zinc/17/87/42/563178742.db2.gz ZNRYLXQDUNYDAC-AREMUKBSSA-N 2 1 450.026 5.396 1 0 JKAFMP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)c3)CC2)C1 ZINC000045202523 563178841 /nfs/dbraw/zinc/17/88/41/563178841.db2.gz GVSFRCFUHLUUJM-HSZRJFAPSA-N 2 1 485.701 5.418 1 0 JKAFMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)c3)CC2)C1 ZINC000045202523 563178842 /nfs/dbraw/zinc/17/88/42/563178842.db2.gz GVSFRCFUHLUUJM-HSZRJFAPSA-N 2 1 485.701 5.418 1 0 JKAFMP CN(C)CC[NH2+]Cc1cccc(-c2ccc3c(Nc4ccc(Oc5ccccn5)cc4)cc[nH+]c3c2)c1 ZINC000045228410 563180390 /nfs/dbraw/zinc/18/03/90/563180390.db2.gz VDCKOJHSWSCVPD-UHFFFAOYSA-N 2 1 489.623 6.484 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(C6CC[NH+](C)CC6)CC5)cc4)cc3)[nH]c21 ZINC000045229237 563180715 /nfs/dbraw/zinc/18/07/15/563180715.db2.gz SKDZAENUJSVDRZ-UHFFFAOYSA-N 2 1 479.672 5.417 1 0 JKAFMP Clc1ccc2c(NCCC[NH2+]CCN(Cc3ccccc3)Cc3ccccc3)cc[nH+]c2c1 ZINC000045298882 563185161 /nfs/dbraw/zinc/18/51/61/563185161.db2.gz STTZUIFLMLCVSS-UHFFFAOYSA-N 2 1 459.037 5.982 1 0 JKAFMP O[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc(-c3c[nH]c4nc(NC5CCCC5)[nH+]cc34)c2)C1 ZINC000045301948 563185976 /nfs/dbraw/zinc/18/59/76/563185976.db2.gz SFLILKNHOREOPZ-NDEPHWFRSA-N 2 1 453.590 5.073 1 0 JKAFMP O[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(-c3c[nH]c4nc(NC5CCCC5)[nH+]cc34)c2)C1 ZINC000045301948 563185977 /nfs/dbraw/zinc/18/59/77/563185977.db2.gz SFLILKNHOREOPZ-NDEPHWFRSA-N 2 1 453.590 5.073 1 0 JKAFMP Fc1cc(Cl)ccc1Nc1cc[nH+]c2cc(-c3ccc(C[NH2+]CCN4CCOCC4)o3)ccc12 ZINC000045302494 563186433 /nfs/dbraw/zinc/18/64/33/563186433.db2.gz TUVYDGBNNXJMHB-UHFFFAOYSA-N 2 1 480.971 5.453 1 0 JKAFMP O=C(Nc1cccc(Cl)c1Cl)N1CCc2cc3[nH+]ccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000045322822 563188644 /nfs/dbraw/zinc/18/86/44/563188644.db2.gz WPANHXQLLDAOAP-KRWDZBQOSA-N 2 1 482.415 5.421 1 0 JKAFMP O=C(Nc1cccc(Cl)c1Cl)N1CCc2cc3[nH+]ccc(N4CC[N@H+]5CCC[C@H]5C4)c3cc21 ZINC000045322822 563188646 /nfs/dbraw/zinc/18/86/46/563188646.db2.gz WPANHXQLLDAOAP-KRWDZBQOSA-N 2 1 482.415 5.421 1 0 JKAFMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc(-c4cccc(C[NH2+]C5CCCC5)c4)cc3)CC2)cc1 ZINC000045324005 563189023 /nfs/dbraw/zinc/18/90/23/563189023.db2.gz GMELJANXCBKJOZ-UHFFFAOYSA-N 3 1 453.674 6.140 1 0 JKAFMP NC(=O)C[N@@H+]1CCC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000045484344 563195368 /nfs/dbraw/zinc/19/53/68/563195368.db2.gz YYNGEANNJVAPBS-URYVUTJFSA-N 2 1 486.487 5.439 1 0 JKAFMP NC(=O)C[N@H+]1CCC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000045484344 563195370 /nfs/dbraw/zinc/19/53/70/563195370.db2.gz YYNGEANNJVAPBS-URYVUTJFSA-N 2 1 486.487 5.439 1 0 JKAFMP CC1=C(/C=C/[C@@H](C)[C@H]2CC[C@H]3C4=CC[C@H]5[C@H](O)[C@H]([NH3+])CC[C@]5(C)[C@H]4CC[C@@]32C)CC[N@H+](C)C1 ZINC000049872136 563204436 /nfs/dbraw/zinc/20/44/36/563204436.db2.gz ZNDZLOQWUMYHMQ-DBXYCEKVSA-N 2 1 452.727 5.708 1 0 JKAFMP CC[NH+](CC)Cc1cc(-c2ccc(Cl)cc2)n(CCCNc2cc[nH+]c3cc(Cl)ccc23)c1C ZINC000058592327 563208228 /nfs/dbraw/zinc/20/82/28/563208228.db2.gz KWQNHYPHCWAJFK-UHFFFAOYSA-N 2 1 495.498 7.663 1 0 JKAFMP C[C@@]12CCC[C@@H]3C[C@@]([C@@H]4C[C@H](Cc5ccc(N)[nH+]c5)CC5(CCCC5)C4)(C[C@@]([NH3+])(CCO)[C@@H]31)O2 ZINC000085543148 291595517 /nfs/dbraw/zinc/59/55/17/291595517.db2.gz QHSZHCXVLYZYGD-IHQNTPSRSA-N 2 1 467.698 5.001 1 0 biogenic,in-vitro JKAFMP C[C@]1(C2CCCCC2)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(N)[nH+]c4)C3)CC[C@@H]1[C@]([NH3+])(CCO)C2 ZINC000085543229 291599142 /nfs/dbraw/zinc/59/91/42/291599142.db2.gz UQZFOOOPVCMJNK-PRNOSMEDSA-N 2 1 455.687 5.001 1 0 biogenic,in-vitro JKAFMP c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@H]1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000195108708 581091208 /nfs/dbraw/zinc/09/12/08/581091208.db2.gz LVRVQELTVCNPQT-HTZSSYRZSA-N 2 1 464.742 6.206 1 0 JKAFMP c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@H]12 ZINC000195108695 581091213 /nfs/dbraw/zinc/09/12/13/581091213.db2.gz LVRVQELTVCNPQT-UMDVNSCSSA-N 2 1 464.742 6.206 1 0 JKAFMP CC(C)CC[C@H]1C[C@@H](Cc2ccc(N)[nH+]c2)C[C@@H]([C@@]23CC[C@@H](C(C)(C)O2)[C@@]([NH3+])(CCO)C3)C1 ZINC000085543260 560071004 /nfs/dbraw/zinc/07/10/04/560071004.db2.gz CISBFBIUENMTNI-IRAFHZQZSA-N 2 1 457.703 5.103 1 0 biogenic,in-vitro JKAFMP c1ccc(CCCC2CC[NH+](C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000003921838 562929873 /nfs/dbraw/zinc/92/98/73/562929873.db2.gz JWSRHFLPBLYQPA-AJQTZOPKSA-N 2 1 458.734 7.017 1 0 JKAFMP Nc1[nH+]cnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC([NH+]2CCCC2)CC1 ZINC000003950284 562930687 /nfs/dbraw/zinc/93/06/87/562930687.db2.gz ZHTVWJDQZBBZHV-UHFFFAOYSA-N 2 1 467.617 5.839 1 0 JKAFMP [NH3+]CCC[NH+](CCCC[N@H+](CCC[NH3+])Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000005834445 562935278 /nfs/dbraw/zinc/93/52/78/562935278.db2.gz YUBNTJNBSLKLOF-UHFFFAOYSA-N 4 1 482.716 5.775 1 0 JKAFMP CC[NH+](CC)CCCCC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 ZINC000005833096 562935285 /nfs/dbraw/zinc/93/52/85/562935285.db2.gz SRLMLQNXERJQPS-UHFFFAOYSA-N 2 1 462.638 5.141 1 0 JKAFMP OC1(CCCc2cccnc2)CC[NH+](C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013819414 562997235 /nfs/dbraw/zinc/99/72/35/562997235.db2.gz RESTXJLMXFJGHZ-XZWHSSHBSA-N 2 1 475.721 5.527 1 0 JKAFMP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000013859944 563001763 /nfs/dbraw/zinc/00/17/63/563001763.db2.gz YTZIIYWGVZWZQQ-CONSDPRKSA-N 4 1 478.769 6.006 1 0 JKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000013859944 563001768 /nfs/dbraw/zinc/00/17/68/563001768.db2.gz YTZIIYWGVZWZQQ-CONSDPRKSA-N 3 1 478.769 6.006 1 0 JKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@H+]3C)c2)c1 ZINC000013859944 563001770 /nfs/dbraw/zinc/00/17/70/563001770.db2.gz YTZIIYWGVZWZQQ-CONSDPRKSA-N 3 1 478.769 6.006 1 0 JKAFMP c1ccc(CCc2nc3cccnc3n2C2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000014995851 563011188 /nfs/dbraw/zinc/01/11/88/563011188.db2.gz LZCORHRFKUGWLO-UHFFFAOYSA-N 2 1 479.672 5.518 1 0 JKAFMP C[N@@H+](C[C@H](CC[NH+]1CCC(CCCc2ccccc2)CC1)c1ccccc1)CC1CCCCC1 ZINC000026844848 563037036 /nfs/dbraw/zinc/03/70/36/563037036.db2.gz RMJKBCQACIGDBG-YTTGMZPUSA-N 2 1 460.750 7.407 1 0 JKAFMP C[N@H+](CCCNc1ccnc2cc(Cl)ccc21)CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000027435736 563044220 /nfs/dbraw/zinc/04/42/20/563044220.db2.gz WYKGDIRHMPEZMN-UHFFFAOYSA-N 2 1 468.432 6.326 1 0 JKAFMP C[N@@H+](CCCNc1ccnc2cc(Cl)ccc21)CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000027435736 563044222 /nfs/dbraw/zinc/04/42/22/563044222.db2.gz WYKGDIRHMPEZMN-UHFFFAOYSA-N 2 1 468.432 6.326 1 0 JKAFMP Clc1ccc(C[NH2+]CCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000027642656 563048120 /nfs/dbraw/zinc/04/81/20/563048120.db2.gz IMZAFTCPLSACKI-UHFFFAOYSA-N 3 1 486.491 5.141 1 0 JKAFMP C[NH+]1CCC([C@@H](C[NH+]2CCN(CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028645902 563073246 /nfs/dbraw/zinc/07/32/46/563073246.db2.gz RWOYIJLZFRIMKP-YTTGMZPUSA-N 2 1 487.707 6.045 1 0 JKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cccc(Oc4ccnc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827071 563082713 /nfs/dbraw/zinc/08/27/13/563082713.db2.gz AHDIGRGVUXUPBL-AREMUKBSSA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cccc(Oc4cccc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827066 563082733 /nfs/dbraw/zinc/08/27/33/563082733.db2.gz RDBZJBIXPLABFL-MHZLTWQESA-N 2 1 458.671 6.764 1 0 JKAFMP FC(F)(F)Oc1ccc([C@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885836 563084934 /nfs/dbraw/zinc/08/49/34/563084934.db2.gz SMMVELORIHFJCC-CLJLJLNGSA-N 2 1 474.567 6.122 1 0 JKAFMP C[N@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2cc(Cl)ccc2Cl)C1 ZINC000028893080 563085317 /nfs/dbraw/zinc/08/53/17/563085317.db2.gz KRWTTWQHPPVRDH-QHCPKHFHSA-N 2 1 451.413 5.774 1 0 JKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2cc(Cl)ccc2Cl)C1 ZINC000028893080 563085318 /nfs/dbraw/zinc/08/53/18/563085318.db2.gz KRWTTWQHPPVRDH-QHCPKHFHSA-N 2 1 451.413 5.774 1 0 JKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2ccc(SC(F)(F)F)cc2)C1 ZINC000028893153 563085381 /nfs/dbraw/zinc/08/53/81/563085381.db2.gz FYQWSOGFMUPHGU-DEOSSOPVSA-N 2 1 482.587 6.079 1 0 JKAFMP CC(C)[NH+](CCCN(CCC[NH+](C(C)C)C(C)C)c1cc[nH+]c2cc(Cl)ccc21)C(C)C ZINC000029053136 563093193 /nfs/dbraw/zinc/09/31/93/563093193.db2.gz JGJWJFSBRPIUHE-UHFFFAOYSA-N 3 1 461.138 6.712 1 0 JKAFMP C[NH2+]Cc1cc(C(=O)N2CCC[N@H+](C3CC3)CC2)ccc1Oc1ccc(SC(F)(F)F)cc1 ZINC000029129762 563096783 /nfs/dbraw/zinc/09/67/83/563096783.db2.gz PUCXAAZLYORUSG-UHFFFAOYSA-N 2 1 479.568 5.121 1 0 JKAFMP COc1cc(C[N@@H+](CCNc2ccnc3cc(Cl)ccc32)CC(C)(C)C)c(OC)c2ccccc12 ZINC000029134713 563098011 /nfs/dbraw/zinc/09/80/11/563098011.db2.gz KMJQYRCWYASNDJ-UHFFFAOYSA-N 2 1 492.063 7.019 1 0 JKAFMP COc1cc(C[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC(C)(C)C)c(OC)c2ccccc12 ZINC000029134713 563098013 /nfs/dbraw/zinc/09/80/13/563098013.db2.gz KMJQYRCWYASNDJ-UHFFFAOYSA-N 2 1 492.063 7.019 1 0 JKAFMP NC(=O)C[N@@H+]1CCC2([NH+]3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040424049 563142656 /nfs/dbraw/zinc/14/26/56/563142656.db2.gz GRJJXKGJSDQIRU-ANBAMDCGSA-N 2 1 472.460 5.049 1 0 JKAFMP NC(=O)C[N@H+]1CCC2([NH+]3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040424049 563142657 /nfs/dbraw/zinc/14/26/57/563142657.db2.gz GRJJXKGJSDQIRU-ANBAMDCGSA-N 2 1 472.460 5.049 1 0 JKAFMP CC[NH+](CC)CC(=O)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040776006 563148536 /nfs/dbraw/zinc/14/85/36/563148536.db2.gz MYEKLRYVQDHWEU-FEVPWDCHSA-N 2 1 460.662 5.456 1 0 JKAFMP COc1ccc2[nH+]ccc(N[C@H](c3ccc(Cl)cc3)c3ccc(C[NH+]4CCOCC4)cc3)c2c1 ZINC000040973155 563161476 /nfs/dbraw/zinc/16/14/76/563161476.db2.gz MZZHCEWENNMTCB-NDEPHWFRSA-N 2 1 474.004 5.931 1 0 JKAFMP COc1ccc2[nH+]ccc(N[C@@H](c3ccc(Cl)cc3)c3ccc(C[NH+]4CCOCC4)cc3)c2c1 ZINC000040973157 563161495 /nfs/dbraw/zinc/16/14/95/563161495.db2.gz MZZHCEWENNMTCB-MUUNZHRXSA-N 2 1 474.004 5.931 1 0 JKAFMP Clc1ccc2c(NCCC[NH+]3CCC(NC(c4ccccn4)c4ccccn4)CC3)cc[nH+]c2c1 ZINC000043205091 563168661 /nfs/dbraw/zinc/16/86/61/563168661.db2.gz QRCZXFIANKOFOR-UHFFFAOYSA-N 2 1 487.051 5.324 1 0 in-vivo JKAFMP CN(CC[NH+](C)C)Cc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccn5)cc4)cc[nH+]c3c2)o1 ZINC000045168742 563173913 /nfs/dbraw/zinc/17/39/13/563173913.db2.gz AXSKRKOTCHQSAC-UHFFFAOYSA-N 2 1 493.611 6.419 1 0 JKAFMP O=C(NCc1cccc2ccccc21)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045169152 563174100 /nfs/dbraw/zinc/17/41/00/563174100.db2.gz GNHWPIDWHJOVCV-UHFFFAOYSA-N 2 1 463.625 5.524 1 0 JKAFMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)cc3)CC2)C1 ZINC000045189774 563175311 /nfs/dbraw/zinc/17/53/11/563175311.db2.gz PGYDSQWYZDMGDC-HSZRJFAPSA-N 2 1 485.701 5.418 1 0 JKAFMP O=S(=O)(Nc1cccc(CC[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1)c1cccc2ccccc21 ZINC000045190497 563175518 /nfs/dbraw/zinc/17/55/18/563175518.db2.gz BUDJFHXEVXTTSN-HHHXNRCGSA-N 2 1 491.701 5.524 1 0 JKAFMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3-c3ccc(C[NH2+]C4CCCC4)cc3)CC2)cc1 ZINC000045194800 563177278 /nfs/dbraw/zinc/17/72/78/563177278.db2.gz HCPYWVRWTHYILX-UHFFFAOYSA-N 3 1 453.674 6.140 1 0 JKAFMP CC[C@@H]1C[N@H+]2CCc3c4cc(OC)ccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000045195578 563177618 /nfs/dbraw/zinc/17/76/18/563177618.db2.gz ICIBUEJGWKALGI-DPCYWBTJSA-N 2 1 489.660 5.416 1 0 JKAFMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4cccc(-c5nc6ccccc6[nH]5)c4)c3)CC2)C1 ZINC000045195842 563177750 /nfs/dbraw/zinc/17/77/50/563177750.db2.gz NLQDBBUYGJFYMW-RUZDIDTESA-N 2 1 479.672 5.356 1 0 JKAFMP CC[C@@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000045196101 563177831 /nfs/dbraw/zinc/17/78/31/563177831.db2.gz OHLRJZOLGDLFBC-HOFFSEQDSA-N 2 1 459.634 5.408 1 0 JKAFMP O=S(=O)(Nc1cccc(CC[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1)c1ccc2ccccc2c1 ZINC000045226585 563179752 /nfs/dbraw/zinc/17/97/52/563179752.db2.gz YEAAANNSMPJFJL-NDEPHWFRSA-N 2 1 491.701 5.524 1 0 JKAFMP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@H]6CCC[N@H+](C)C6)CC5)cc4)s3)nc21 ZINC000045227198 563179905 /nfs/dbraw/zinc/17/99/05/563179905.db2.gz IVMKRAYVVSIQNQ-DEOSSOPVSA-N 2 1 499.728 5.726 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@H]6CCC[N@@H+](C)C6)CC5)cc4)s3)[nH]c21 ZINC000045227198 563179906 /nfs/dbraw/zinc/17/99/06/563179906.db2.gz IVMKRAYVVSIQNQ-DEOSSOPVSA-N 2 1 499.728 5.726 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@H]6CCC[N@H+](C)C6)CC5)cc4)s3)[nH]c21 ZINC000045227198 563179907 /nfs/dbraw/zinc/17/99/07/563179907.db2.gz IVMKRAYVVSIQNQ-DEOSSOPVSA-N 2 1 499.728 5.726 1 0 JKAFMP COCC[NH2+]Cc1cccc(-c2ccc3c(Nc4cc(O)c(Cl)cc4F)cc[nH+]c3c2)c1 ZINC000045228998 563180707 /nfs/dbraw/zinc/18/07/07/563180707.db2.gz URIKZWGHHSXACD-UHFFFAOYSA-N 2 1 451.929 5.880 1 0 JKAFMP O=C(C[NH2+]CCNc1cc[nH+]c2cc(Cl)ccc12)N(Cc1ccccc1)Cc1ccccc1 ZINC000045245218 563181600 /nfs/dbraw/zinc/18/16/00/563181600.db2.gz ZIGMFJRMCMEZNJ-UHFFFAOYSA-N 2 1 458.993 5.119 1 0 JKAFMP O=C(c1ccc(F)c2ccccc12)N1CCc2cc3[nH+]ccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000045302599 563186501 /nfs/dbraw/zinc/18/65/01/563186501.db2.gz SDVNBFXYKMQJAB-FQEVSTJZSA-N 2 1 466.560 5.014 1 0 JKAFMP O=C(c1ccc(F)c2ccccc12)N1CCc2cc3[nH+]ccc(N4CC[N@H+]5CCC[C@H]5C4)c3cc21 ZINC000045302599 563186503 /nfs/dbraw/zinc/18/65/03/563186503.db2.gz SDVNBFXYKMQJAB-FQEVSTJZSA-N 2 1 466.560 5.014 1 0 JKAFMP C[NH+]1CCC([C@@H](c2ccc(F)cc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000045365037 563192897 /nfs/dbraw/zinc/19/28/97/563192897.db2.gz GTSIUFNWVXFHJS-JGCGQSQUSA-N 2 1 499.674 5.575 1 0 JKAFMP C[NH+]1CCC([C@H](c2ccc(F)cc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000045365040 563192908 /nfs/dbraw/zinc/19/29/08/563192908.db2.gz GTSIUFNWVXFHJS-YTTGMZPUSA-N 2 1 499.674 5.575 1 0 JKAFMP CC[NH+](CC)c1ccc(Nc2cc(N(CCC[NH+](C)C)C(=O)Nc3ccccc3Cl)ncn2)cc1 ZINC000053274859 563205463 /nfs/dbraw/zinc/20/54/63/563205463.db2.gz ORAQWAJMSDOOPE-UHFFFAOYSA-N 2 1 496.059 5.710 1 0 JKAFMP C[N@H+]1CCC[C@H]1CCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1cccc2ccccc21 ZINC000058550564 563207252 /nfs/dbraw/zinc/20/72/52/563207252.db2.gz DQNLQLNKDWCSDB-SANMLTNESA-N 2 1 464.613 5.404 1 0 JKAFMP c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[N@@H+](CCC[NH+]2CCCCC2)CC3)cc1 ZINC000058650430 563208584 /nfs/dbraw/zinc/20/85/84/563208584.db2.gz ADISQAGQYMCTMK-HWOSFROGSA-N 3 1 471.733 6.133 1 0 JKAFMP c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2N(CCC[NH+]2CCCCC2)CC3)cc1 ZINC000058650430 563208585 /nfs/dbraw/zinc/20/85/85/563208585.db2.gz ADISQAGQYMCTMK-HWOSFROGSA-N 2 1 471.733 6.133 1 0 JKAFMP c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[N@H+](CCCN2CCCCC2)CC3)cc1 ZINC000058650430 563208586 /nfs/dbraw/zinc/20/85/86/563208586.db2.gz ADISQAGQYMCTMK-HWOSFROGSA-N 2 1 471.733 6.133 1 0 JKAFMP c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[N@@H+](CCCN2CCCCC2)CC3)cc1 ZINC000058650430 563208587 /nfs/dbraw/zinc/20/85/87/563208587.db2.gz ADISQAGQYMCTMK-HWOSFROGSA-N 2 1 471.733 6.133 1 0 JKAFMP c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CC[NH2+][C@H]2CCCC[C@H]12 ZINC000101269334 581091112 /nfs/dbraw/zinc/09/11/12/581091112.db2.gz LVRVQELTVCNPQT-QIBGPLTASA-N 2 1 464.742 6.206 1 0 JKAFMP c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]12 ZINC000169290520 581091180 /nfs/dbraw/zinc/09/11/80/581091180.db2.gz LVRVQELTVCNPQT-FLKHEUMLSA-N 2 1 464.742 6.206 1 0 JKAFMP c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CC[NH2+][C@H]2CCCC[C@@H]12 ZINC000299807091 581091192 /nfs/dbraw/zinc/09/11/92/581091192.db2.gz LVRVQELTVCNPQT-GOJGNYKUSA-N 2 1 464.742 6.206 1 0 JKAFMP CC(=O)N1CCC[C@@H]2[C@@H](C[C@H]3CC[C@H]4C(=[NH+]3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4C[N@H+]5C)C[C@H](C)C[C@@H]21 ZINC000095913339 560056840 /nfs/dbraw/zinc/05/68/40/560056840.db2.gz ZGALAVFQYJOLRQ-VFBDHXKKSA-N 2 1 467.742 5.656 1 0 biogenic,in-vitro JKAFMP CC(=O)N1CCC[C@@H]2[C@@H](C[C@H]3CC[C@H]4C(=[NH+]3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4C[N@@H+]5C)C[C@H](C)C[C@@H]21 ZINC000095913339 560056841 /nfs/dbraw/zinc/05/68/41/560056841.db2.gz ZGALAVFQYJOLRQ-VFBDHXKKSA-N 2 1 467.742 5.656 1 0 biogenic,in-vitro JKAFMP C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3C[C@H](Cc4ccc(N)[nH+]c4)CC4(CCCC4)C3)CC[C@@H]1[C@H]([NH3+])C2 ZINC000085543212 560071142 /nfs/dbraw/zinc/07/11/42/560071142.db2.gz WYQMHBAUQVLMQW-LHZRXEKISA-N 2 1 465.726 6.418 1 0 biogenic,in-vitro JKAFMP C[C@]1(C2CCCC2)O[C@@]2([C@@H]3C[C@H](Cc4ccc(N)[nH+]c4)CC4(CCCC4)C3)CC[C@@H]1[C@]([NH3+])(CCO)C2 ZINC000085543180 560071149 /nfs/dbraw/zinc/07/11/49/560071149.db2.gz XNCOGPIYLFSDDT-SICIPGAZSA-N 2 1 495.752 5.781 1 0 biogenic,in-vitro JKAFMP CCC1=C(C[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C1 ZINC000004212817 562932742 /nfs/dbraw/zinc/93/27/42/562932742.db2.gz XXLZPUYGHQWHRN-DQEYMECFSA-N 2 1 478.633 5.008 1 0 JKAFMP CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3cc(O)ccc3[nH]c21 ZINC000008034758 562938679 /nfs/dbraw/zinc/93/86/79/562938679.db2.gz JRVWIILYWSBUMC-IPFQZCJUSA-N 2 1 475.633 5.113 1 0 JKAFMP OC1(c2cccnc2)CC[NH+](Cc2ccc3c(c2)C[N@@H+](Cc2cc4ccccc4s2)CCO3)CC1 ZINC000011783522 562957586 /nfs/dbraw/zinc/95/75/86/562957586.db2.gz HSJYUZQUWGQGBA-UHFFFAOYSA-N 2 1 485.653 5.175 1 0 JKAFMP OC1(c2cccnc2)CC[NH+](Cc2ccc3c(c2)C[N@H+](Cc2cc4ccccc4s2)CCO3)CC1 ZINC000011783522 562957587 /nfs/dbraw/zinc/95/75/87/562957587.db2.gz HSJYUZQUWGQGBA-UHFFFAOYSA-N 2 1 485.653 5.175 1 0 JKAFMP CC(C)C[NH+](CCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)CC(C)C ZINC000022453618 563017020 /nfs/dbraw/zinc/01/70/20/563017020.db2.gz RTSKTPQYRVOCCD-UHFFFAOYSA-N 3 1 474.137 5.312 1 0 JKAFMP Brc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000026658150 563032653 /nfs/dbraw/zinc/03/26/53/563032653.db2.gz DGPUZKDKMFOLFB-LMSSTIIKSA-N 2 1 489.501 6.544 1 0 JKAFMP Brc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000026658150 563032654 /nfs/dbraw/zinc/03/26/54/563032654.db2.gz DGPUZKDKMFOLFB-LMSSTIIKSA-N 2 1 489.501 6.544 1 0 JKAFMP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH+]2CCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672430 563033410 /nfs/dbraw/zinc/03/34/10/563033410.db2.gz CWGSXNCSQQWMAR-UHFFFAOYSA-N 2 1 478.040 5.652 1 0 JKAFMP CC(C)(C)[NH2+]Cc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026675069 563033592 /nfs/dbraw/zinc/03/35/92/563033592.db2.gz QSOGJVOTGLFPIT-UHFFFAOYSA-N 2 1 480.056 5.944 1 0 JKAFMP CCC[NH+](CCCCCC[N@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)CCc1cccnc1 ZINC000027642196 563048096 /nfs/dbraw/zinc/04/80/96/563048096.db2.gz BFZQRIGBHSMREN-UHFFFAOYSA-N 2 1 487.754 5.255 1 0 JKAFMP CCC[NH+](CCCCCC[N@H+](CCC)CCc1cccnc1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000027642196 563048097 /nfs/dbraw/zinc/04/80/97/563048097.db2.gz BFZQRIGBHSMREN-UHFFFAOYSA-N 2 1 487.754 5.255 1 0 JKAFMP CCC[NH+](CCCCCC[N@@H+](CCC)CCc1cccnc1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000027642196 563048098 /nfs/dbraw/zinc/04/80/98/563048098.db2.gz BFZQRIGBHSMREN-UHFFFAOYSA-N 2 1 487.754 5.255 1 0 JKAFMP [NH3+]CCCCc1ccc(CCCC[N@@H+](CC[C@@H]([NH3+])Cc2ccccc2)Cc2ccccc2)s1 ZINC000028652674 563074077 /nfs/dbraw/zinc/07/40/77/563074077.db2.gz ZNHVQRPHJRWUDU-HHHXNRCGSA-N 3 1 463.735 5.815 1 0 JKAFMP COc1ccc([C@@H]2C[N@@H+](C)Cc3cc(OCCC[NH+]4CCC(C(F)(F)F)CC4)ccc32)cc1 ZINC000028818054 563080065 /nfs/dbraw/zinc/08/00/65/563080065.db2.gz STQJDUUWFXFIQR-VWLOTQADSA-N 2 1 462.556 5.316 1 0 JKAFMP CC[NH+](CC)CC(=O)O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863256 563083456 /nfs/dbraw/zinc/08/34/56/563083456.db2.gz MYEKLRYVQDHWEU-MUJUVEFKSA-N 2 1 460.662 5.456 1 0 JKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000028893102 563085260 /nfs/dbraw/zinc/08/52/60/563085260.db2.gz OCBPATCVPDEFSN-XMMPIXPASA-N 2 1 450.520 5.486 1 0 JKAFMP COc1ccc2c(C)cc(N[C@H]3CC[C@H]([NH2+]Cc4cn(C)c5ccc(OC(F)F)cc45)C3)[nH+]c2c1 ZINC000028951145 563087090 /nfs/dbraw/zinc/08/70/90/563087090.db2.gz CGWZQNJZRFVACE-OALUTQOASA-N 2 1 480.559 5.768 1 0 JKAFMP CC(C)[NH+](CCCCN(CCCC[NH+](C(C)C)C(C)C)c1cc[nH+]c2cc(Cl)ccc21)C(C)C ZINC000029052885 563093156 /nfs/dbraw/zinc/09/31/56/563093156.db2.gz AYYHIPBSVUXPMM-UHFFFAOYSA-N 3 1 489.192 7.493 1 0 JKAFMP COc1c(C)c(C[N@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC(C)C)c(OC)c2ccccc21 ZINC000029135289 563098113 /nfs/dbraw/zinc/09/81/13/563098113.db2.gz SAHXQUQICXGKKL-UHFFFAOYSA-N 2 1 492.063 6.937 1 0 JKAFMP COc1c(C)c(C[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC(C)C)c(OC)c2ccccc21 ZINC000029135289 563098114 /nfs/dbraw/zinc/09/81/14/563098114.db2.gz SAHXQUQICXGKKL-UHFFFAOYSA-N 2 1 492.063 6.937 1 0 JKAFMP Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(N4CCC[N@H+](C)CC4)c3)CC2)n1 ZINC000034272026 563112787 /nfs/dbraw/zinc/11/27/87/563112787.db2.gz LHNCHARHQBJEDW-UHFFFAOYSA-N 2 1 472.677 5.019 1 0 JKAFMP O=C(C[NH+]1CCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040587818 563146858 /nfs/dbraw/zinc/14/68/58/563146858.db2.gz DMYCELBWAKQYGG-ABQAWVCCSA-N 2 1 472.673 5.600 1 0 JKAFMP NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6ccc(C(N)=[NH2+])cc6[nH]5)cc4)cc3)nc2c1 ZINC000040866848 563151194 /nfs/dbraw/zinc/15/11/94/563151194.db2.gz CRJKMVBZNGGUSS-UHFFFAOYSA-N 2 1 498.594 5.127 1 0 JKAFMP NC(=[NH2+])c1ccc2nc(-c3ccc(CCc4ccc(-c5nc6ccc(C(N)=[NH2+])cc6[nH]5)cc4)cc3)[nH]c2c1 ZINC000040866848 563151196 /nfs/dbraw/zinc/15/11/96/563151196.db2.gz CRJKMVBZNGGUSS-UHFFFAOYSA-N 2 1 498.594 5.127 1 0 JKAFMP OCC[N@H+]1CCC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000042888714 563163385 /nfs/dbraw/zinc/16/33/85/563163385.db2.gz NZNNRENEJFJEFS-SJWXKMTISA-N 2 1 473.488 5.946 1 0 JKAFMP CC(=O)N1CCC[C@H]2[C@@H](C[C@@H]3CC[C@H]4[C@@H](C[C@@H]5C[C@@H](C)C[C@H]6[C@@H]5C[C@@H]4C[N@@H+]6C)[NH2+]3)C[C@H](C)C[C@H]21 ZINC000044280932 563172101 /nfs/dbraw/zinc/17/21/01/563172101.db2.gz VDFRKVDBZHAYRF-JMNOSLPVSA-N 2 1 469.758 5.173 1 0 JKAFMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)cc3)CC2)C1 ZINC000045189772 563175279 /nfs/dbraw/zinc/17/52/79/563175279.db2.gz PGYDSQWYZDMGDC-QHCPKHFHSA-N 2 1 485.701 5.418 1 0 JKAFMP O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCc2cc3[nH+]ccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000045189619 563175319 /nfs/dbraw/zinc/17/53/19/563175319.db2.gz FOKUHXRLJSVNQA-PABBZOGXSA-N 2 1 492.545 5.141 1 0 JKAFMP O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCc2cc3[nH+]ccc(N4CC[N@H+]5CCC[C@H]5C4)c3cc21 ZINC000045189619 563175320 /nfs/dbraw/zinc/17/53/20/563175320.db2.gz FOKUHXRLJSVNQA-PABBZOGXSA-N 2 1 492.545 5.141 1 0 JKAFMP CCOc1c(Br)cc(Br)cc1C[NH2+]CCCCNc1[nH]c2ccccc2[nH+]1 ZINC000045201712 563178383 /nfs/dbraw/zinc/17/83/83/563178383.db2.gz HDUWTXJEUXJTKM-UHFFFAOYSA-N 2 1 496.247 5.469 1 0 JKAFMP O=C(Nc1cccc2ccccc21)N1CCc2cc3[nH+]ccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000045201844 563178441 /nfs/dbraw/zinc/17/84/41/563178441.db2.gz HHRIBTXBQDPYNU-QFIPXVFZSA-N 2 1 463.585 5.267 1 0 JKAFMP O=C(Nc1cccc2ccccc21)N1CCc2cc3[nH+]ccc(N4CC[N@H+]5CCC[C@H]5C4)c3cc21 ZINC000045201844 563178443 /nfs/dbraw/zinc/17/84/43/563178443.db2.gz HHRIBTXBQDPYNU-QFIPXVFZSA-N 2 1 463.585 5.267 1 0 JKAFMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)cc4)cc3)CC2)C1 ZINC000045202937 563179158 /nfs/dbraw/zinc/17/91/58/563179158.db2.gz LSVGVGAFKYWUPM-DEOSSOPVSA-N 2 1 497.662 5.495 1 0 JKAFMP Cc1cccc2nc(-c3cccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)c3)[nH]c21 ZINC000045229216 563180667 /nfs/dbraw/zinc/18/06/67/563180667.db2.gz ZTFCTCDBRZXDBQ-UHFFFAOYSA-N 2 1 459.597 5.923 1 0 JKAFMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4cccc(-c5nc6ccccc6[nH]5)c4)cc3)CC2)C1 ZINC000045302700 563186661 /nfs/dbraw/zinc/18/66/61/563186661.db2.gz MUOIEZRMKINTIP-RUZDIDTESA-N 2 1 479.672 5.356 1 0 JKAFMP COc1cccc(C[N@H+]2Cc3ccccc3OC3(CC[NH+](Cc4c[nH]c5cnccc45)CC3)C2)c1 ZINC000045303186 563187042 /nfs/dbraw/zinc/18/70/42/563187042.db2.gz QYDKZYQNSSGAFC-UHFFFAOYSA-N 2 1 468.601 5.001 1 0 JKAFMP C[N@H+]1CC[C@@H](Oc2ccc(C[NH+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)c3ccccc23)C1 ZINC000045335248 563189931 /nfs/dbraw/zinc/18/99/31/563189931.db2.gz BGJHGEYJHLEEBW-LEWJYISDSA-N 2 1 498.454 5.234 1 0 JKAFMP C[NH+]1CC[C@@H](Oc2ccc(C[N@@H+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)c3ccccc23)C1 ZINC000045335248 563189932 /nfs/dbraw/zinc/18/99/32/563189932.db2.gz BGJHGEYJHLEEBW-LEWJYISDSA-N 2 1 498.454 5.234 1 0 JKAFMP C[NH+]1CC[C@@H](Oc2ccc(C[N@H+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)c3ccccc23)C1 ZINC000045335248 563189933 /nfs/dbraw/zinc/18/99/33/563189933.db2.gz BGJHGEYJHLEEBW-LEWJYISDSA-N 2 1 498.454 5.234 1 0 JKAFMP COCC[NH2+]Cc1cccc(-c2ccc3c(Nc4ccc(Oc5cccnc5)cc4)cc[nH+]c3c2)c1 ZINC000045336807 563190322 /nfs/dbraw/zinc/19/03/22/563190322.db2.gz RDJGBZXPGUCPFB-UHFFFAOYSA-N 2 1 476.580 6.569 1 0 JKAFMP O=C(N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000045339064 563190957 /nfs/dbraw/zinc/19/09/57/563190957.db2.gz MHPUCGCJCGYKBB-QFIPXVFZSA-N 2 1 490.475 5.253 1 0 JKAFMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4csc(-c5nc6ccccc6[nH]5)c4)c3)CC2)C1 ZINC000045355920 563192351 /nfs/dbraw/zinc/19/23/51/563192351.db2.gz FIKJWVAKCOLNCB-HSZRJFAPSA-N 2 1 485.701 5.418 1 0 JKAFMP C(=C(c1cccs1)c1cccs1)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045365981 563193058 /nfs/dbraw/zinc/19/30/58/563193058.db2.gz LUDIDJZIYUEUKH-UHFFFAOYSA-N 2 1 470.707 7.153 1 0 JKAFMP CC[C@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CC[NH+]1C ZINC000053064463 563205026 /nfs/dbraw/zinc/20/50/26/563205026.db2.gz YFVKRDMXSKCSGH-HDEPLQKNSA-N 2 1 473.661 5.750 1 0 JKAFMP CC[C@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CC[NH+]1C ZINC000053064463 563205027 /nfs/dbraw/zinc/20/50/27/563205027.db2.gz YFVKRDMXSKCSGH-HDEPLQKNSA-N 2 1 473.661 5.750 1 0 JKAFMP CC[C@H]1C[NH+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1C ZINC000053064463 563205028 /nfs/dbraw/zinc/20/50/28/563205028.db2.gz YFVKRDMXSKCSGH-HDEPLQKNSA-N 2 1 473.661 5.750 1 0 JKAFMP CC[C@H]1C[NH+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1C ZINC000053064463 563205029 /nfs/dbraw/zinc/20/50/29/563205029.db2.gz YFVKRDMXSKCSGH-HDEPLQKNSA-N 2 1 473.661 5.750 1 0 JKAFMP c1ccc(CC[N@H+]2CCC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000058480507 563206553 /nfs/dbraw/zinc/20/65/53/563206553.db2.gz JGKWIPJMQHYKTO-AOQDKHGRSA-N 2 1 464.697 6.890 1 0 JKAFMP FC(F)(F)c1cccc([C@@H]2C[N@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1 ZINC000058509645 563206788 /nfs/dbraw/zinc/20/67/88/563206788.db2.gz VKNVUSIACZZCCO-UIOOFZCWSA-N 2 1 458.568 6.243 1 0 JKAFMP CC(C)C[C@@H]1CC[C@@]2(C1)C[C@@H](Cc1ccc(N)[nH+]c1)C[C@H]([C@@]13CC[C@@H](C(C)(C)O1)[C@]([NH3+])(CCO)C3)C2 ZINC000085543192 291565127 /nfs/dbraw/zinc/56/51/27/291565127.db2.gz GXWSFFWNPPLHIM-OZOWZCLZSA-N 2 1 497.768 5.883 1 0 biogenic,in-vitro JKAFMP c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCC[NH2+][C@@H]1CC[NH2+][C@H]2CCCC[C@H]12 ZINC000101269335 581091148 /nfs/dbraw/zinc/09/11/48/581091148.db2.gz LVRVQELTVCNPQT-YASYBEMDSA-N 2 1 464.742 6.206 1 0 JKAFMP C[C@]1(C2CCCC2)O[C@@]2([C@@H]3C[C@H](Cc4ccc(N)[nH+]c4)CC4(CCCC4)C3)CC[C@@H]1[C@H]([NH3+])C2 ZINC000085543245 560071096 /nfs/dbraw/zinc/07/10/96/560071096.db2.gz MYMCTRUTBPFCTA-VYJUQIHUSA-N 2 1 451.699 6.028 1 0 biogenic,in-vitro JKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@@]3(C[C@@]4(CS3)CC[C@H]3[C@@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000085541053 560071518 /nfs/dbraw/zinc/07/15/18/560071518.db2.gz WBMOHCBEBDKSBI-AXXRKQBWSA-N 2 1 494.745 7.306 1 0 biogenic,in-vitro JKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[N@@H+]2C[C@@]3(C[C@@]4(CS3)CC[C@H]3[C@@H](C)CC[C@@H](c5ccoc5)[NH+]3C4)CC[C@@H]12 ZINC000085541053 560071520 /nfs/dbraw/zinc/07/15/20/560071520.db2.gz WBMOHCBEBDKSBI-AXXRKQBWSA-N 2 1 494.745 7.306 1 0 biogenic,in-vitro JKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[N@H+]2C[C@@]3(C[C@@]4(CS3)CC[C@H]3[C@@H](C)CC[C@@H](c5ccoc5)[NH+]3C4)CC[C@@H]12 ZINC000085541053 560071521 /nfs/dbraw/zinc/07/15/21/560071521.db2.gz WBMOHCBEBDKSBI-AXXRKQBWSA-N 2 1 494.745 7.306 1 0 biogenic,in-vitro JKAFMP COc1cc(NC[C@@H](C)C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)[nH+]c2ccccc21 ZINC000001553147 562921301 /nfs/dbraw/zinc/92/13/01/562921301.db2.gz VQGITYQZZKWJFD-QFIPXVFZSA-N 2 1 464.613 6.084 1 0 JKAFMP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 ZINC000008597786 562944780 /nfs/dbraw/zinc/94/47/80/562944780.db2.gz XESLELFDMKKFKL-JOCHJYFZSA-N 2 1 475.077 5.144 1 0 JKAFMP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 ZINC000008597783 562944820 /nfs/dbraw/zinc/94/48/20/562944820.db2.gz XESLELFDMKKFKL-QFIPXVFZSA-N 2 1 475.077 5.144 1 0 JKAFMP CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2c3cc(O)ccc3[nH]c21 ZINC000013099112 562961274 /nfs/dbraw/zinc/96/12/74/562961274.db2.gz JRVWIILYWSBUMC-CMWZJFIZSA-N 2 1 475.633 5.113 1 0 JKAFMP CCC[N@@H+](CCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)[C@@H]1CCc2ccc(O)cc2C1 ZINC000013438632 562962669 /nfs/dbraw/zinc/96/26/69/562962669.db2.gz HUTRNXILWVFUDE-HSZRJFAPSA-N 2 1 490.519 5.871 1 0 JKAFMP CCCC[NH+](CCCC)CCC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 ZINC000013651513 562981706 /nfs/dbraw/zinc/98/17/06/562981706.db2.gz UXVGOOMOPMHVCR-UHFFFAOYSA-N 2 1 490.692 5.921 1 0 JKAFMP c1[nH]c2ccc(-n3cnnc3)cc2c1CCC[NH+]1CCC([N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000013802564 562994520 /nfs/dbraw/zinc/99/45/20/562994520.db2.gz WGWBIIDCWJHIOA-GDLZYMKVSA-N 2 1 468.649 5.373 1 0 JKAFMP OC1(CCCc2ccccc2)CC[NH+](C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013819404 562997165 /nfs/dbraw/zinc/99/71/65/562997165.db2.gz VSVCTEVBQPUVMW-IOWSJCHKSA-N 2 1 474.733 6.132 1 0 JKAFMP OC1(CCCc2ccccn2)CC[NH+](C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013819412 562997247 /nfs/dbraw/zinc/99/72/47/562997247.db2.gz CIZRLPXJAHENGW-MFMCTBQISA-N 2 1 475.721 5.527 1 0 JKAFMP COc1cc(NC[C@H](C)C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)[nH+]c2ccccc21 ZINC000013972632 563004847 /nfs/dbraw/zinc/00/48/47/563004847.db2.gz VQGITYQZZKWJFD-JOCHJYFZSA-N 2 1 464.613 6.084 1 0 JKAFMP C[N@@H+](C[C@@H](CC[NH+]1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)CC1CCCCC1 ZINC000026845469 563037039 /nfs/dbraw/zinc/03/70/39/563037039.db2.gz VCBMVUPAVJTUCJ-WJOKGBTCSA-N 2 1 476.749 6.522 1 0 JKAFMP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2CCOc2ccc(Cl)cc2Cl)CC1 ZINC000027527140 563045649 /nfs/dbraw/zinc/04/56/49/563045649.db2.gz HATKPEJKTDSHRM-UHFFFAOYSA-N 2 1 477.501 6.398 1 0 JKAFMP CC[N@@H+](CCCNC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CCC1CCCCC1 ZINC000028135012 563057484 /nfs/dbraw/zinc/05/74/84/563057484.db2.gz KKWSXAKXLQLJIX-UHFFFAOYSA-N 2 1 475.765 6.555 1 0 JKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[C@@]4(CS3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000028571193 563071016 /nfs/dbraw/zinc/07/10/16/563071016.db2.gz WBMOHCBEBDKSBI-VPPDKMPWSA-N 2 1 494.745 7.306 1 0 JKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(CS[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000028571193 563071018 /nfs/dbraw/zinc/07/10/18/563071018.db2.gz WBMOHCBEBDKSBI-VPPDKMPWSA-N 2 1 494.745 7.306 1 0 JKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(CS[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000028571193 563071020 /nfs/dbraw/zinc/07/10/20/563071020.db2.gz WBMOHCBEBDKSBI-VPPDKMPWSA-N 2 1 494.745 7.306 1 0 JKAFMP COc1ccc([C@H]2C[N@@H+](C)Cc3cc(OCCC[NH+]4CCC(C(F)(F)F)CC4)ccc32)cc1 ZINC000028818056 563080078 /nfs/dbraw/zinc/08/00/78/563080078.db2.gz STQJDUUWFXFIQR-RUZDIDTESA-N 2 1 462.556 5.316 1 0 JKAFMP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cc(Oc4cccc(C[NH+]5CCCCC5)c4)ccc32)cc1 ZINC000028827064 563082751 /nfs/dbraw/zinc/08/27/51/563082751.db2.gz HAUQDPMQHAJUER-LJAQVGFWSA-N 2 1 458.671 6.764 1 0 JKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cccc(Oc4cccc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827067 563082755 /nfs/dbraw/zinc/08/27/55/563082755.db2.gz RDBZJBIXPLABFL-HHHXNRCGSA-N 2 1 458.671 6.764 1 0 JKAFMP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cccc(Oc4cncc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827074 563082784 /nfs/dbraw/zinc/08/27/84/563082784.db2.gz QDKMCOBSBCRFOL-SANMLTNESA-N 2 1 459.659 6.159 1 0 JKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)cc4)ccc32)cc1 ZINC000028827079 563082893 /nfs/dbraw/zinc/08/28/93/563082893.db2.gz XCHACIZNQYTKBT-GDLZYMKVSA-N 2 1 458.671 6.764 1 0 JKAFMP CC(=O)N1CCCC2=C(C[C@H]3CCC[C@H](CC4=C5CCC[N@@H+](C)[C@H]5C[C@H](C)C4)[NH2+]3)C[C@H](C)C[C@@H]21 ZINC000028876479 563084461 /nfs/dbraw/zinc/08/44/61/563084461.db2.gz GNBIIUGCLQZEQB-QERBKSRWSA-N 2 1 467.742 5.835 1 0 in-vivo JKAFMP Cc1ccc(N2CCN(C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)CC[N@H+]3C(C)C)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000029041032 563091571 /nfs/dbraw/zinc/09/15/71/563091571.db2.gz WMQQJXYIZAVGMC-FQLPYIGMSA-N 2 1 497.127 5.219 1 0 JKAFMP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCCC[N@@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055915 563093533 /nfs/dbraw/zinc/09/35/33/563093533.db2.gz QRRZAKFYWBRJNH-ROJLCIKYSA-N 2 1 492.748 6.846 1 0 in-vivo JKAFMP COc1c(C)c(C[N@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)C(C)C)c(OC)c2ccccc21 ZINC000029135361 563098093 /nfs/dbraw/zinc/09/80/93/563098093.db2.gz VUMHETGJSVJZAL-UHFFFAOYSA-N 2 1 478.036 6.690 1 0 JKAFMP COc1c(C)c(C[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)C(C)C)c(OC)c2ccccc21 ZINC000029135361 563098094 /nfs/dbraw/zinc/09/80/94/563098094.db2.gz VUMHETGJSVJZAL-UHFFFAOYSA-N 2 1 478.036 6.690 1 0 JKAFMP Clc1ccc2c(c1)nccc2NCCC[NH2+]CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029394236 563101948 /nfs/dbraw/zinc/10/19/48/563101948.db2.gz HROACHSLAKGFBN-UHFFFAOYSA-N 2 1 454.405 5.984 1 0 JKAFMP Clc1ccc2c(c1)nccc2N1CC[NH2+]CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029401703 563102617 /nfs/dbraw/zinc/10/26/17/563102617.db2.gz OUOLBGQZIPWNBE-UHFFFAOYSA-N 2 1 452.389 5.006 1 0 JKAFMP CC[C@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000031519759 563108434 /nfs/dbraw/zinc/10/84/34/563108434.db2.gz OHLRJZOLGDLFBC-QRRBZYCPSA-N 2 1 459.634 5.408 1 0 JKAFMP c1ccc(CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccn3)cc2)[C@@H]2CCCc3cccnc32)nc1 ZINC000033974908 563111457 /nfs/dbraw/zinc/11/14/57/563111457.db2.gz MXYQOQASCBNUDZ-GDLZYMKVSA-N 2 1 463.629 5.284 1 0 JKAFMP c1ccc(-c2c(-c3ccc(OCC[NH+]4CCCC4)cc3)[nH]c3nc[nH+]c(NC[C@@H]4CCCO4)c32)cc1 ZINC000035903319 563121235 /nfs/dbraw/zinc/12/12/35/563121235.db2.gz XXAHEYLYVXIYBY-DEOSSOPVSA-N 2 1 483.616 5.357 1 0 JKAFMP Cc1cccc(N2CC[NH+](CCCCCC[NH+]3CCN(c4ccnc5ccccc54)CC3)CC2)c1 ZINC000038217458 563133256 /nfs/dbraw/zinc/13/32/56/563133256.db2.gz YVYMJYSSXPEYLE-UHFFFAOYSA-N 2 1 471.693 5.048 1 0 JKAFMP CCCC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+](Cc3c(Cl)cccc3Cl)CC2)C1=O ZINC000040404312 563139908 /nfs/dbraw/zinc/13/99/08/563139908.db2.gz ZBVIRJRRQRKZEM-UHFFFAOYSA-N 2 1 489.491 5.024 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)cc3)[nH]c21 ZINC000045187261 563174288 /nfs/dbraw/zinc/17/42/88/563174288.db2.gz WOPLTGYYIBUKPK-UHFFFAOYSA-N 2 1 459.597 5.923 1 0 JKAFMP O=S(=O)(Nc1cccc(CC[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1)c1cccc2ccccc21 ZINC000045190501 563175596 /nfs/dbraw/zinc/17/55/96/563175596.db2.gz BUDJFHXEVXTTSN-MHZLTWQESA-N 2 1 491.701 5.524 1 0 JKAFMP c1[nH]c2ccccc2c1C1CC[NH+](CCCCOc2ccc3c(c2)CC[N@@H+](C2CCC2)CC3)CC1 ZINC000045190899 563175651 /nfs/dbraw/zinc/17/56/51/563175651.db2.gz ZHZIAOKRTRZGEY-UHFFFAOYSA-N 2 1 471.689 6.160 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(C6CC[NH+](C)CC6)CC5)cc4)s3)[nH]c21 ZINC000045191626 563175925 /nfs/dbraw/zinc/17/59/25/563175925.db2.gz AUAGHRNWOPDKFF-UHFFFAOYSA-N 2 1 485.701 5.479 1 0 JKAFMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)CC2)C1 ZINC000045192134 563176171 /nfs/dbraw/zinc/17/61/71/563176171.db2.gz MHRPYJRWKGMEQC-VWLOTQADSA-N 2 1 479.672 5.356 1 0 JKAFMP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@H]6CCC[N@H+](C)C6)CC5)cc4)cc3)nc21 ZINC000045193493 563176622 /nfs/dbraw/zinc/17/66/22/563176622.db2.gz IDTRJMKYLHJUDY-SANMLTNESA-N 2 1 493.699 5.665 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@H]6CCC[N@@H+](C)C6)CC5)cc4)cc3)[nH]c21 ZINC000045193493 563176623 /nfs/dbraw/zinc/17/66/23/563176623.db2.gz IDTRJMKYLHJUDY-SANMLTNESA-N 2 1 493.699 5.665 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@H]6CCC[N@H+](C)C6)CC5)cc4)cc3)[nH]c21 ZINC000045193493 563176624 /nfs/dbraw/zinc/17/66/24/563176624.db2.gz IDTRJMKYLHJUDY-SANMLTNESA-N 2 1 493.699 5.665 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)s3)[nH]c21 ZINC000045201796 563178489 /nfs/dbraw/zinc/17/84/89/563178489.db2.gz UYXGPTCHAMIDSL-UHFFFAOYSA-N 2 1 465.626 5.984 1 0 JKAFMP C[N@@H+](Cc1ccncc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 ZINC000045202337 563178696 /nfs/dbraw/zinc/17/86/96/563178696.db2.gz ZNRYLXQDUNYDAC-SANMLTNESA-N 2 1 450.026 5.396 1 0 JKAFMP CN(C)CC[NH2+]Cc1cccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)cc[nH+]c3c2)c1 ZINC000045202792 563179003 /nfs/dbraw/zinc/17/90/03/563179003.db2.gz UIHVBUQOGYCWAW-UHFFFAOYSA-N 2 1 488.635 7.089 1 0 JKAFMP [NH3+]Cc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)cc1 ZINC000045210318 563179350 /nfs/dbraw/zinc/17/93/50/563179350.db2.gz JUCJGUGZQOIGFV-UHFFFAOYSA-N 2 1 486.541 6.664 1 0 JKAFMP c1ccc(CC[N@H+]2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045290459 563184848 /nfs/dbraw/zinc/18/48/48/563184848.db2.gz JGKWIPJMQHYKTO-KEANYWJXSA-N 2 1 464.697 6.890 1 0 JKAFMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4cccc(-c5nc6ccccc6[nH]5)c4)cc3)CC2)C1 ZINC000045302699 563186716 /nfs/dbraw/zinc/18/67/16/563186716.db2.gz MUOIEZRMKINTIP-VWLOTQADSA-N 2 1 479.672 5.356 1 0 JKAFMP O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2cc3[nH+]ccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000045323990 563188978 /nfs/dbraw/zinc/18/89/78/563188978.db2.gz ZIBXIOCMVUGOEZ-SFHVURJKSA-N 2 1 482.415 5.421 1 0 JKAFMP O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2cc3[nH+]ccc(N4CC[N@H+]5CCC[C@H]5C4)c3cc21 ZINC000045323990 563188979 /nfs/dbraw/zinc/18/89/79/563188979.db2.gz ZIBXIOCMVUGOEZ-SFHVURJKSA-N 2 1 482.415 5.421 1 0 JKAFMP CN(CC[NH+](C)C)Cc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)cc[nH+]c3c2)o1 ZINC000045323848 563188992 /nfs/dbraw/zinc/18/89/92/563188992.db2.gz GXLOYDKPJLCFJB-UHFFFAOYSA-N 2 1 492.623 7.024 1 0 JKAFMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4cccc(-c5nc6cc(F)ccc6[nH]5)c4)cc3)CC2)C1 ZINC000045324508 563189164 /nfs/dbraw/zinc/18/91/64/563189164.db2.gz WOYKSHGQBKORJV-DEOSSOPVSA-N 2 1 497.662 5.495 1 0 JKAFMP C[N@H+]1CC[C@H](Oc2ccc(C[NH+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)c3ccccc23)C1 ZINC000045335245 563189904 /nfs/dbraw/zinc/18/99/04/563189904.db2.gz BGJHGEYJHLEEBW-SFTDATJTSA-N 2 1 498.454 5.234 1 0 JKAFMP C[NH+]1CC[C@H](Oc2ccc(C[N@@H+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)c3ccccc23)C1 ZINC000045335245 563189905 /nfs/dbraw/zinc/18/99/05/563189905.db2.gz BGJHGEYJHLEEBW-SFTDATJTSA-N 2 1 498.454 5.234 1 0 JKAFMP C[NH+]1CC[C@H](Oc2ccc(C[N@H+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)c3ccccc23)C1 ZINC000045335245 563189906 /nfs/dbraw/zinc/18/99/06/563189906.db2.gz BGJHGEYJHLEEBW-SFTDATJTSA-N 2 1 498.454 5.234 1 0 JKAFMP Cc1cccc2nc(-c3ccc(-c4cccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)c4)s3)[nH]c21 ZINC000045338859 563190874 /nfs/dbraw/zinc/19/08/74/563190874.db2.gz JWLNNOVHVVYBLC-UHFFFAOYSA-N 2 1 498.740 7.355 1 0 JKAFMP