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=C2[NH2+]CCCCCCCC[NH2+][C@H]1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000169290523 581091125 /nfs/dbraw/zinc/09/11/25/581091125.db2.gz LVRVQELTVCNPQT-YMFKDRQTSA-N 3 0 464.742 6.206 1 0 JKAFRP c1ccc2c(c1)N[C@H]1CCCCC1=C2[NH2+]CCCCCCCC[NH2+][C@H]1CC[NH2+][C@H]2CCCC[C@H]12 ZINC000101269337 581091135 /nfs/dbraw/zinc/09/11/35/581091135.db2.gz LVRVQELTVCNPQT-SINPBGNNSA-N 3 0 464.742 6.206 1 0 JKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNC2=C3CCCCC3=[NH+][C@H]3C=CC=C[C@@H]23)CCCC1 ZINC000084541451 581091169 /nfs/dbraw/zinc/09/11/69/581091169.db2.gz PRYRMSLFNNPLDU-YWEHKCAJSA-N 2 0 494.727 7.459 1 0 JKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNC2=C3CCCCC3=[NH+][C@@H]3C=CC=C[C@@H]23)CCCC1 ZINC000084541452 581091203 /nfs/dbraw/zinc/09/12/03/581091203.db2.gz PRYRMSLFNNPLDU-UFHPHHKVSA-N 2 0 494.727 7.459 1 0 JKAFRP c1ccc2c(c1)N[C@H]1CCCCC1=C2[NH2+]CCCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]12 ZINC000169290521 581091225 /nfs/dbraw/zinc/09/12/25/581091225.db2.gz LVRVQELTVCNPQT-WXVZLDJUSA-N 3 0 464.742 6.206 1 0 JKAFRP 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 560054773 /nfs/dbraw/zinc/05/47/73/560054773.db2.gz KUAFTTDYFQSMKD-JLRDFPEGSA-N 3 0 455.775 5.646 1 0 biogenic,in-vitro JKAFRP CCc1nc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc(-c2cccc(C(N)=[NH2+])c2)cc1 ZINC000013441147 562963225 /nfs/dbraw/zinc/96/32/25/562963225.db2.gz XYMVNSQIFOGUAS-UHFFFAOYSA-N 2 0 494.643 5.438 1 0 JKAFRP CCc1nc2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1cccc(-c2cccc(C(N)=[NH2+])c2)c1 ZINC000013441158 562963230 /nfs/dbraw/zinc/96/32/30/562963230.db2.gz ZKBVWSCAGDYYEK-UHFFFAOYSA-N 2 0 494.643 5.438 1 0 JKAFRP C[NH+](C)Cc1ccc(CSCCCCCCCCCCSCc2ccc(C[NH+](C)C)o2)o1 ZINC000013452595 562964824 /nfs/dbraw/zinc/96/48/24/562964824.db2.gz SXUSJKARTRGOFL-UHFFFAOYSA-N 2 0 480.784 7.283 1 0 JKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCNc2c3c([nH+]c4ccccc42)CCC3)CCC1 ZINC000013473786 562966368 /nfs/dbraw/zinc/96/63/68/562966368.db2.gz OTTDOZLQGARJRG-UHFFFAOYSA-N 2 0 450.630 6.845 1 0 JKAFRP c1ccc(C[NH2+]CCC[NH2+]CCCCCCCCC[NH2+]CCC[NH2+]Cc2ccccc2)cc1 ZINC000013650070 562981115 /nfs/dbraw/zinc/98/11/15/562981115.db2.gz MMNZOLMDACYFDR-UHFFFAOYSA-N 4 0 452.731 5.256 1 0 JKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCCCCCCNc2cc[nH+]cc2)CCCC1 ZINC000013801261 562994070 /nfs/dbraw/zinc/99/40/70/562994070.db2.gz NGZVYWKVKNGTSQ-UHFFFAOYSA-N 2 0 458.694 7.934 1 0 JKAFRP O=C(C[NH2+][C@H]1c2ccccc2-c2[nH]c3ccccc3c21)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000014946296 563006745 /nfs/dbraw/zinc/00/67/45/563006745.db2.gz QOMCBCJZINTBMR-PMERELPUSA-N 2 0 478.640 5.246 1 0 JKAFRP C[NH2+]C[C@H](CC1CCCCC1)NC[C@H](Cc1ccccc1)[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000022938880 563019396 /nfs/dbraw/zinc/01/93/96/563019396.db2.gz GQKCBYFGTYNZCM-XGGBRTKESA-N 2 0 465.770 5.942 3 0 JKAFRP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]CCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000026393517 563027276 /nfs/dbraw/zinc/02/72/76/563027276.db2.gz WQJGOAVTBXSUMW-SANMLTNESA-N 2 0 486.704 6.612 1 0 JKAFRP c1ccc(CCC[NH2+]CCCC[N@H+](CCC[NH2+]CCCc2ccccc2)CCCc2ccccc2)cc1 ZINC000026506998 563029494 /nfs/dbraw/zinc/02/94/94/563029494.db2.gz SDRYSJINSXWXST-UHFFFAOYSA-N 3 0 499.787 6.536 1 0 JKAFRP c1cc2c[n+](c1)CCC/C=C/CCCCCCc1ccc[n+](c1)CCCCCCCCCCCC2 ZINC000026578072 563031023 /nfs/dbraw/zinc/03/10/23/563031023.db2.gz PZVFMNRSAVVPRR-YRNVUSSQSA-N 2 0 476.793 8.248 1 0 JKAFRP c1ccc(C[N@H+]2C[C@H](C[NH+]3CCC(c4ccccc4)CC3)[C@@H](c3cccc(-c4ccccc4)c3)C2)cc1 ZINC000026652046 563032181 /nfs/dbraw/zinc/03/21/81/563032181.db2.gz NGHZITOYYPOZLV-OIDHKYIRSA-N 2 0 486.703 7.449 1 0 JKAFRP CC[NH+](CC)CCCCCCCCCCNc1cc[nH+]c2cc(I)ccc12 ZINC000027555180 563046417 /nfs/dbraw/zinc/04/64/17/563046417.db2.gz KWANXKZIGHDCPQ-UHFFFAOYSA-N 2 0 481.466 6.714 1 0 JKAFRP C[C@@H]([NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000027642309 563048145 /nfs/dbraw/zinc/04/81/45/563048145.db2.gz NYPWBGDKIJWOGZ-MKPDMIMOSA-N 4 0 452.731 5.598 1 0 JKAFRP C[C@@H](CC[NH2+]CCCCCCC[NH2+]CC[C@H](C)[NH2+]Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000027645134 563048332 /nfs/dbraw/zinc/04/83/32/563048332.db2.gz FUXYCKVJIZSGRO-SVBPBHIXSA-N 4 0 452.731 5.253 1 0 JKAFRP Clc1ccc2c(c1)nccc2NCC[NH2+]CCCC[NH2+]CCNc1ccnc2cc(Cl)ccc21 ZINC000027726278 563050461 /nfs/dbraw/zinc/05/04/61/563050461.db2.gz CJWXXXWQZSXTSA-UHFFFAOYSA-N 2 0 497.474 5.573 1 0 JKAFRP CC[C@@H](C)c1nc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028021346 563055317 /nfs/dbraw/zinc/05/53/17/563055317.db2.gz VAFXSZNDHFVLNK-LJQANCHMSA-N 2 0 496.659 5.876 1 0 JKAFRP CC(=[NH2+])N1CCC(Oc2ccc3c(c2)nc(C(C)C)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000028091243 563055593 /nfs/dbraw/zinc/05/55/93/563055593.db2.gz KGPZQXDFVFKKHK-UHFFFAOYSA-N 2 0 482.632 5.486 1 0 JKAFRP c1ccc(CC[NH2+]Cc2ccc(-c3cccc(C[NH2+]C4CCN(Cc5ccccc5)CC4)c3)cc2)cc1 ZINC000028462725 563064702 /nfs/dbraw/zinc/06/47/02/563064702.db2.gz MFYMITAWTNSDBX-UHFFFAOYSA-N 2 0 489.707 6.440 1 0 JKAFRP COCCc1sc[n+](CCCCCCCCCC[n+]2csc(CCOC)c2C)c1C ZINC000028475249 563065906 /nfs/dbraw/zinc/06/59/06/563065906.db2.gz QIELGODAOLPDTB-UHFFFAOYSA-N 2 0 454.746 5.200 1 0 JKAFRP Cc1ccc(CC[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523731 563066953 /nfs/dbraw/zinc/06/69/53/563066953.db2.gz RNQHDIZVKYTQNH-HHHXNRCGSA-N 2 0 473.627 5.838 1 0 JKAFRP COc1ccccc1CC[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028523998 563067041 /nfs/dbraw/zinc/06/70/41/563067041.db2.gz GKLOYHIRKOCPMO-SANMLTNESA-N 2 0 489.626 5.538 1 0 JKAFRP [NH3+]Cc1ccc(C2=CC[C@H](N(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650279 563073797 /nfs/dbraw/zinc/07/37/97/563073797.db2.gz HRWGQZJKGXMOQB-IBGZPJMESA-N 2 0 477.049 5.565 1 0 JKAFRP [NH2+]=C(Nc1ccc(-c2ccc(-c3ccc(NC(=[NH2+])NC4CCCC4)cc3)s2)cc1)NC1CCCC1 ZINC000028707669 563075624 /nfs/dbraw/zinc/07/56/24/563075624.db2.gz YIZBVAQUYQEAQO-UHFFFAOYSA-N 2 0 486.689 6.840 1 0 JKAFRP CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4cncc(C[NH+]5CCCCC5)c4)ccc32)cc1 ZINC000028827073 563082769 /nfs/dbraw/zinc/08/27/69/563082769.db2.gz NZWFFJWOAKYYID-MUUNZHRXSA-N 2 0 459.659 6.159 1 0 JKAFRP CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCC(F)CC5)cn4)ccc32)cc1 ZINC000028827086 563082841 /nfs/dbraw/zinc/08/28/41/563082841.db2.gz KWIGMVZMURUWHZ-MHZLTWQESA-N 2 0 477.649 6.107 1 0 JKAFRP NC(=[NH2+])c1ccc2oc(CCCCCCCCCCCc3cc4cc(C(N)=[NH2+])ccc4o3)cc2c1 ZINC000028870182 563084065 /nfs/dbraw/zinc/08/40/65/563084065.db2.gz MZYNILVCZZFLAH-UHFFFAOYSA-N 2 0 472.633 7.043 1 0 JKAFRP 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 563084463 /nfs/dbraw/zinc/08/44/63/563084463.db2.gz GNBIIUGCLQZEQB-JIWCGRIKSA-N 2 0 467.742 5.835 1 0 JKAFRP CC(C)[NH+]1CCC(C[N@H+](C)C[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2)CC1 ZINC000028957647 563088502 /nfs/dbraw/zinc/08/85/02/563088502.db2.gz BPIRSCHARNHKLH-SANMLTNESA-N 2 0 467.057 5.345 1 0 JKAFRP C[NH2+]Cc1cc(C(=O)N2CCC[N@@H+](C(C)C)CC2)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000029130214 563097007 /nfs/dbraw/zinc/09/70/07/563097007.db2.gz DTGQAURGKWOQAA-UHFFFAOYSA-N 2 0 450.410 5.061 1 0 JKAFRP CCOc1ccc(Nc2nc3ccc(Cl)cc3c(NCC[NH+](CC)CC)n2)cc1C[NH+](CC)CC ZINC000029206046 563098391 /nfs/dbraw/zinc/09/83/91/563098391.db2.gz NIHHSGHKFCLFDJ-UHFFFAOYSA-N 2 0 499.103 6.021 1 0 JKAFRP c1cn(CCCCCCCCCCn2ccc(=[NH+]C3CCCCC3)cc2)ccc1=[NH+]C1CCCCC1 ZINC000029232003 563099117 /nfs/dbraw/zinc/09/91/17/563099117.db2.gz GUZHTBYASDNQIY-UHFFFAOYSA-N 2 0 490.780 7.577 1 0 JKAFRP NC(=[NH2+])Nc1ccc(-c2ccc(-c3ccc(NC(N)=[NH2+])cc3C(F)(F)F)o2)c(C(F)(F)F)c1 ZINC000029467234 563104269 /nfs/dbraw/zinc/10/42/69/563104269.db2.gz CQIACFJXPBKTCI-UHFFFAOYSA-N 2 0 470.377 5.262 1 0 JKAFRP CC(C)(C)c1ccc(C[NH2+]CCCNCCC[NH2+]CCC[NH2+]Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000034893464 563117477 /nfs/dbraw/zinc/11/74/77/563117477.db2.gz QOEUHBVXCHBRFV-UHFFFAOYSA-N 3 0 480.785 5.511 1 0 JKAFRP C[NH+](C)C[C@@H](O)Cn1cc(C2CC[NH+]([C@H]3Cc4cccc5cccc3c45)CC2)c2ccc(F)cc21 ZINC000036222037 563124524 /nfs/dbraw/zinc/12/45/24/563124524.db2.gz HJYXTUROPMWWHU-YWEHKCAJSA-N 2 0 471.620 5.333 1 0 JKAFRP Clc1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccc(Cl)c(Cl)c4)C2[NH2+]CC3)cc1Cl ZINC000040423058 563142190 /nfs/dbraw/zinc/14/21/90/563142190.db2.gz OEHORYKXLYYSMM-JSODFGIGSA-N 2 0 484.298 7.158 1 0 JKAFRP C[NH+]1CCC[C@H]1c1c2cc(-c3nc(CCc4ccc(Cl)cc4)no3)[nH]c2ccc1[C@@H]1CCC[N@H+]1C ZINC000040763124 563147890 /nfs/dbraw/zinc/14/78/90/563147890.db2.gz WVZHNBKEFNKNQK-DQEYMECFSA-N 2 0 490.051 6.190 1 0 JKAFRP CCCC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@H]3CCC(C)(C)c4ccccc43)CC2)C1=O ZINC000040897622 563154164 /nfs/dbraw/zinc/15/41/64/563154164.db2.gz ZBXWZLGBCKBMLA-NDEPHWFRSA-N 2 0 488.720 5.330 1 0 JKAFRP [NH3+]CCN1CCC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040938235 563158366 /nfs/dbraw/zinc/15/83/66/563158366.db2.gz AXRODXJNFUJSHT-SJWXKMTISA-N 2 0 472.504 5.912 1 0 JKAFRP COc1ccc2[nH+]ccc(N[C@H](c3ccc(C[NH+]4CCCC4)cc3)c3cccc(Cl)c3)c2c1 ZINC000040956292 563160973 /nfs/dbraw/zinc/16/09/73/563160973.db2.gz HMDSKOMZQUURRP-MUUNZHRXSA-N 2 0 458.005 6.694 1 0 JKAFRP c1cc2c[n+](c1)CCCCCCCC/C=C\Cc1ccc[n+](c1)CCCCCCCC/C=C\C2 ZINC000043119941 563167299 /nfs/dbraw/zinc/16/72/99/563167299.db2.gz QKEZYVWHBBLGIK-NFLUSIDLSA-N 2 0 460.750 7.634 1 0 JKAFRP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@H]3CCC[N@H+]3C)c2)c1 ZINC000043120124 563167383 /nfs/dbraw/zinc/16/73/83/563167383.db2.gz DBISFANLRPNEFE-MEKGRNQZSA-N 4 0 492.796 6.396 1 0 JKAFRP c1c2ccc(C3=[NH+]CCCN3)cc2[nH]c1-c1ccc(-c2cc3ccc(C4=[NH+]CCCN4)cc3[nH]2)cc1 ZINC000043201079 563168477 /nfs/dbraw/zinc/16/84/77/563168477.db2.gz CYZKZDNPVSMEPI-UHFFFAOYSA-N 2 0 472.596 5.463 1 0 in-vitro JKAFRP COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H]([NH3+])[C@H]([NH3+])C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000044430480 563172734 /nfs/dbraw/zinc/17/27/34/563172734.db2.gz DGTREIPBLGKKFU-OKUTUCSLSA-N 2 0 484.769 6.082 1 0 JKAFRP 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 563172739 /nfs/dbraw/zinc/17/27/39/563172739.db2.gz KGAYDDPUTKXMLL-SGZSBSDDSA-N 2 0 478.809 7.529 1 0 JKAFRP C[NH+]1CCC(N2CC[NH+](Cc3cccc(-c4cccc(-c5nc6ccccc6[nH]5)c4)c3)CC2)CC1 ZINC000045167088 563172875 /nfs/dbraw/zinc/17/28/75/563172875.db2.gz WCJNDBYCPIFQGR-UHFFFAOYSA-N 2 0 465.645 5.109 1 0 JKAFRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)c3)CC2)C1 ZINC000045167570 563173308 /nfs/dbraw/zinc/17/33/08/563173308.db2.gz DDNGKUYSKPCJEI-RUZDIDTESA-N 2 0 479.672 5.356 1 0 JKAFRP O=C(N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1)c1ccc2ccccc2c1 ZINC000045167709 563173333 /nfs/dbraw/zinc/17/33/33/563173333.db2.gz BVBRBBLWMGWGIB-NDEPHWFRSA-N 2 0 471.645 5.099 1 0 JKAFRP C[NH+](C)CCN(Cc1ccccc1-c1ccc(C[NH2+]CCc2ccccc2)cc1)C(=O)c1ccccc1 ZINC000045168142 563173615 /nfs/dbraw/zinc/17/36/15/563173615.db2.gz UCVZCVGPPWIUQQ-UHFFFAOYSA-N 2 0 491.679 5.890 1 0 JKAFRP FC(F)(F)c1ccc2c(NCCCNc3cc[nH+]c4cc(C(F)(F)F)ccc34)cc[nH+]c2c1 ZINC000045168765 563173905 /nfs/dbraw/zinc/17/39/05/563173905.db2.gz UUNJYBBVZZAZHA-UHFFFAOYSA-N 2 0 464.413 6.735 1 0 JKAFRP Fc1ccc2[nH]c(-c3cccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)c3)nc2c1 ZINC000045169041 563174020 /nfs/dbraw/zinc/17/40/20/563174020.db2.gz KTERHGWERQNFFG-UHFFFAOYSA-N 2 0 463.560 5.753 1 0 JKAFRP COc1ccc(CC[NH2+]CCCC[NH2+]CCc2ccc(OC)c3ccccc23)c2ccccc12 ZINC000045169186 563174106 /nfs/dbraw/zinc/17/41/06/563174106.db2.gz JNCHARWOODKXKG-UHFFFAOYSA-N 2 0 456.630 5.755 1 0 JKAFRP c1ccc2cc(C[NH2+]CCCN3CCN(CCC[NH2+]Cc4ccc5ccccc5c4)CC3)ccc2c1 ZINC000045168958 563174107 /nfs/dbraw/zinc/17/41/07/563174107.db2.gz AXRSFVUVBMMRHY-UHFFFAOYSA-N 2 0 480.700 5.270 1 0 JKAFRP Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)s3)nc21 ZINC000045186807 563174175 /nfs/dbraw/zinc/17/41/75/563174175.db2.gz OKXZKLGTJZPQHW-UHFFFAOYSA-N 2 0 465.626 5.984 1 0 JKAFRP CSc1ccc2ccccc2c1CC[NH2+]CCCC[NH2+]CCc1c(SC)ccc2ccccc21 ZINC000045191217 563175780 /nfs/dbraw/zinc/17/57/80/563175780.db2.gz RZGJYYIXCALTRG-UHFFFAOYSA-N 2 0 488.766 7.181 1 0 JKAFRP C[C@H](Cc1ccc(OCc2ccc(CC[NH+](C)C)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045191043 563175806 /nfs/dbraw/zinc/17/58/06/563175806.db2.gz CXENNQGJXAZXMT-JOCHJYFZSA-N 2 0 451.054 5.786 1 0 JKAFRP COc1ccc2c(c1C[NH2+]CCCCCC[NH2+]Cc1c(OC)ccc3c1CCCC3)CCCC2 ZINC000045192449 563176246 /nfs/dbraw/zinc/17/62/46/563176246.db2.gz IRMAXYDWHSKCTK-UHFFFAOYSA-N 2 0 464.694 5.901 1 0 JKAFRP CCCC[NH2+]Cc1ccc(OCc2cccc(COc3ccc(C[NH2+]CCCC)cc3)c2)cc1 ZINC000045195712 563177540 /nfs/dbraw/zinc/17/75/40/563177540.db2.gz ATSRAELKFWXSSB-UHFFFAOYSA-N 2 0 460.662 6.624 1 0 JKAFRP c1ccc(C(c2ccccc2)N2CCC([NH2+]Cc3ccc(OCCC[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000045201031 563177958 /nfs/dbraw/zinc/17/79/58/563177958.db2.gz NXRXKDDWKOKSTR-UHFFFAOYSA-N 2 0 497.727 6.285 1 0 JKAFRP O=S(=O)(Nc1cccc(CC[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1)c1ccc2ccccc2c1 ZINC000045226580 563179791 /nfs/dbraw/zinc/17/97/91/563179791.db2.gz YEAAANNSMPJFJL-MUUNZHRXSA-N 2 0 491.701 5.524 1 0 JKAFRP CC[C@@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3cc(OC)ccc3[nH]c21 ZINC000045228558 563180455 /nfs/dbraw/zinc/18/04/55/563180455.db2.gz YVROHRIQSQJCSI-DIBPYXDISA-N 2 0 466.629 6.039 1 0 JKAFRP C[NH2+]CCCCCCOc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000045302254 563186093 /nfs/dbraw/zinc/18/60/93/563186093.db2.gz YQXBIEINTVBLLB-NTKDMRAZSA-N 2 0 452.561 5.118 1 0 JKAFRP Cc1cc(-c2ccc(NC(=O)Nc3ccc4[nH+]ccc(N5CC[NH+](C)CC5)c4c3)cc2C)cc(C)n1 ZINC000045302350 563186329 /nfs/dbraw/zinc/18/63/29/563186329.db2.gz JDLWKNGAVONVPX-UHFFFAOYSA-N 2 0 480.616 5.618 1 0 JKAFRP CC(C)CCNC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(=[NH2+])NCCC(C)C)cc2)cc1 ZINC000045302907 563186807 /nfs/dbraw/zinc/18/68/07/563186807.db2.gz DMWAJKHAIXNAED-UHFFFAOYSA-N 2 0 480.697 6.237 1 0 JKAFRP C[NH+]1CCC(N2CC[NH+](Cc3ccc(-c4cccc(-c5nc6ccccc6[nH]5)c4)cc3)CC2)CC1 ZINC000045319267 563187801 /nfs/dbraw/zinc/18/78/01/563187801.db2.gz KAOJWCNZVGFWHE-UHFFFAOYSA-N 2 0 465.645 5.109 1 0 JKAFRP C[C@@H](Cc1ccc(NC(=O)CC[NH2+]Cc2ccccc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045324394 563189158 /nfs/dbraw/zinc/18/91/58/563189158.db2.gz AREULUURAKTRQW-NRFANRHFSA-N 2 0 450.026 5.222 1 0 JKAFRP CCc1c2c(ccc1C[NH2+]CCCCCC[NH2+]CCc1ccc(OC)c(OC)c1CC)OCO2 ZINC000045334860 563189779 /nfs/dbraw/zinc/18/97/79/563189779.db2.gz HGOLOMYBCCARPZ-UHFFFAOYSA-N 2 0 470.654 5.040 1 0 JKAFRP [NH3+]CCCCCCCCCC[NH2+]Cc1c2c(nc3ccccc31)-c1cc3ccccc3c(=O)n1C2 ZINC000045357168 563192534 /nfs/dbraw/zinc/19/25/34/563192534.db2.gz GDOUBQVNRIJRQT-UHFFFAOYSA-N 2 0 468.645 5.748 1 0 JKAFRP Brc1cccc(C[NH2+]C[C@H]2CCC[C@H](C[NH2+]Cc3cccc(Br)c3)C2)c1 ZINC000045364190 563192823 /nfs/dbraw/zinc/19/28/23/563192823.db2.gz KBXNIFDFDMLTMB-ROUUACIJSA-N 2 0 480.288 5.897 1 0 JKAFRP CC(C)NC(=[NH2+])c1ccc(-c2ccc(-c3nc4ccc(C(=[NH2+])NC(C)C)cc4s3)s2)cc1 ZINC000045364413 563192844 /nfs/dbraw/zinc/19/28/44/563192844.db2.gz ODFANYZMJRDLGY-UHFFFAOYSA-N 2 0 461.660 6.339 1 0 JKAFRP Brc1cccc(C[NH2+]C[C@@H]2CCC[C@H](C[NH2+]Cc3cccc(Br)c3)C2)c1 ZINC000045364187 563192857 /nfs/dbraw/zinc/19/28/57/563192857.db2.gz KBXNIFDFDMLTMB-HDICACEKSA-N 2 0 480.288 5.897 1 0 JKAFRP NC(=[NH2+])c1cc2c(cc(F)cc2O[C@@H](COC(=O)Nc2ccccc2C[NH3+])c2ccccc2)s1 ZINC000045367947 563193346 /nfs/dbraw/zinc/19/33/46/563193346.db2.gz DDPUNJKAKZZDPA-NRFANRHFSA-N 2 0 478.549 5.152 1 0 JKAFRP O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH+]([C@H](c2ccccc2)C2CC[NH2+]CC2)CC1 ZINC000045372885 563193912 /nfs/dbraw/zinc/19/39/12/563193912.db2.gz CNSYGZOEIHDOQH-WJOKGBTCSA-N 2 0 467.657 5.094 1 0 JKAFRP [NH3+]CCCCCCCCCCC[NH2+]Cc1c2c(nc3ccccc31)-c1cc3ccccc3c(=O)n1C2 ZINC000045391581 563195168 /nfs/dbraw/zinc/19/51/68/563195168.db2.gz UZXZWUFUSDTWBO-UHFFFAOYSA-N 2 0 482.672 6.138 1 0 JKAFRP Clc1ccc([C@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccc(Cl)c(Cl)c4)C2[NH2+]CC3)cc1Cl ZINC000045498173 563196235 /nfs/dbraw/zinc/19/62/35/563196235.db2.gz MNNWEZCFQBFYRP-WWVRUBFXSA-N 2 0 498.325 7.548 1 0 JKAFRP c1c2ccccc2[nH]c1C[N@@H+](Cc1ccc(C[NH2+]Cc2ccccn2)cc1)[C@H]1CCCc2cccnc21 ZINC000049070942 563201343 /nfs/dbraw/zinc/20/13/43/563201343.db2.gz IEWXODVRBFFDRL-HKBQPEDESA-N 2 0 487.651 6.328 1 0 JKAFRP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([NH2+]CCCC[NH3+])[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000049678273 563203115 /nfs/dbraw/zinc/20/31/15/563203115.db2.gz JWAFAAMANYWGHR-VWTROAGRSA-N 2 0 490.817 5.891 1 0 JKAFRP c1ccc2c(c1)N[C@H]1CCCCC1=C2[NH2+]CCCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@H]12 ZINC000195108683 581091114 /nfs/dbraw/zinc/09/11/14/581091114.db2.gz LVRVQELTVCNPQT-DEEGFUGBSA-N 3 0 464.742 6.206 1 0 JKAFRP c1ccc2c(c1)[nH]c1c[n+](CCCCCCCCCC[n+]3ccc4c(c3)[nH]c3ccccc34)ccc12 ZINC000049066773 581091178 /nfs/dbraw/zinc/09/11/78/581091178.db2.gz NCYIKOJQXYAHBQ-UHFFFAOYSA-P 2 0 476.668 7.352 1 0 JKAFRP CCCCC[C@H]1C[C@H]2[C@@H]3[NH2+][C@@H](C[NH2+]C)CC[C@H]3C[C@@]34[C@@H](C[C@]23C1)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]4O ZINC000085547464 560072408 /nfs/dbraw/zinc/07/24/08/560072408.db2.gz XCLVHXABJDKRCI-ZIEPTBHRSA-N 2 0 472.758 5.022 1 0 biogenic,in-vitro JKAFRP CCN(c1n[n+]2c(-c3ccccc3)csc2s1)c1n[n+]2c(-c3ccccc3)csc2s1 ZINC000001632399 562921863 /nfs/dbraw/zinc/92/18/63/562921863.db2.gz FMNMHQYEBWQSJH-UHFFFAOYSA-N 2 0 479.681 5.692 1 0 JKAFRP CCC1=C(C[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C1 ZINC000003590974 562927239 /nfs/dbraw/zinc/92/72/39/562927239.db2.gz XXLZPUYGHQWHRN-LOSJGSFVSA-N 2 0 478.633 5.008 1 0 JKAFRP c1cc(-c2ccc(C3=[NH+][C@H]4CCCC[C@@H]4N3)cc2)oc1-c1ccc(C2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000006040284 562936565 /nfs/dbraw/zinc/93/65/65/562936565.db2.gz ZGJGWFQQOVEGLB-ASDGIDEWSA-N 2 0 464.613 5.936 1 0 JKAFRP CC(=[NH2+])N1CCC(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000009998610 562957031 /nfs/dbraw/zinc/95/70/31/562957031.db2.gz DZLGSWPXZYDHBD-UHFFFAOYSA-N 2 0 489.623 6.120 1 0 in-vivo JKAFRP c1ccc2c(NCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc[nH+]c2c1 ZINC000012504439 562960395 /nfs/dbraw/zinc/96/03/95/562960395.db2.gz UNVOAAWEEGAXTN-UHFFFAOYSA-N 2 0 452.646 7.526 1 0 in-vivo JKAFRP CCc1nc2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1ccc(-c2ccc(C(N)=[NH2+])cc2)cc1 ZINC000013441153 562963194 /nfs/dbraw/zinc/96/31/94/562963194.db2.gz KCQIXXZEEFUYGH-UHFFFAOYSA-N 2 0 494.643 5.438 1 0 JKAFRP CCc1nc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc(-c2ccc(C(N)=[NH2+])cc2)cc1 ZINC000013441145 562963268 /nfs/dbraw/zinc/96/32/68/562963268.db2.gz VKNTYOZSHHKHTK-UHFFFAOYSA-N 2 0 494.643 5.438 1 0 JKAFRP CN(c1ccccc1)c1cc[n+](Cc2cccc(C[n+]3ccc(N(C)c4ccccc4)cc3)c2)cc1 ZINC000013554573 562973660 /nfs/dbraw/zinc/97/36/60/562973660.db2.gz WQYBNEFXKLJRTN-UHFFFAOYSA-N 2 0 472.636 5.894 1 0 JKAFRP c1cc(C[n+]2ccc(N3CCCC3)cc2)cc(-c2cccc(C[n+]3ccc(N4CCCC4)cc3)c2)c1 ZINC000013584355 562976233 /nfs/dbraw/zinc/97/62/33/562976233.db2.gz RQFARZQJSKAHPW-UHFFFAOYSA-N 2 0 476.668 5.226 1 0 JKAFRP O=C(C[NH2+]Cc1ccc(Oc2ccccc2)cc1)Nc1ccc2ccn(CC[NH+]3CCCC3)c2c1 ZINC000013609978 562979242 /nfs/dbraw/zinc/97/92/42/562979242.db2.gz JVDRAQMZKJWZBL-UHFFFAOYSA-N 2 0 468.601 5.258 1 0 JKAFRP c1ccc(C[NH2+]CCC[NH2+]CCCCCCCCCC[NH2+]CCC[NH2+]Cc2ccccc2)cc1 ZINC000013650071 562981095 /nfs/dbraw/zinc/98/10/95/562981095.db2.gz GDBCGPOZSZNSJK-UHFFFAOYSA-N 4 0 466.758 5.646 1 0 JKAFRP c1ccc(C[NH2+]CCCC[NH2+]CCCCCCCC[NH2+]CCCC[NH2+]Cc2ccccc2)cc1 ZINC000013650073 562981111 /nfs/dbraw/zinc/98/11/11/562981111.db2.gz XCPAAUPHMHGBHX-UHFFFAOYSA-N 4 0 466.758 5.646 1 0 JKAFRP C[n+]1ccc(SCCCCCCCCCCSc2cc[n+](C)c3ccccc23)c2ccccc21 ZINC000013745694 562988002 /nfs/dbraw/zinc/98/80/02/562988002.db2.gz PPIJZXQODIJZTR-UHFFFAOYSA-N 2 0 490.782 7.647 1 0 JKAFRP CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(C[n+]4ccc(N(C)C)cc4)cc3)cc2)cc1 ZINC000013837700 563001612 /nfs/dbraw/zinc/00/16/12/563001612.db2.gz CISZCCSQLOSREG-UHFFFAOYSA-N 2 0 480.700 5.056 1 0 JKAFRP C[C@@H]([NH3+])[C@H](O)CCCCCCCCCCCCCCC(=O)CCCCCCC[C@@H](O)[C@@H]([NH3+])CO ZINC000014965971 563009182 /nfs/dbraw/zinc/00/91/82/563009182.db2.gz MLAUFTDRZCCVCB-KCPYNUOSSA-N 2 0 486.782 5.136 1 0 JKAFRP c1cc2cc(Nc3ccnc4cc(-c5ccc(C[NH2+]CCN6CC[NH2+]CC6)cc5)sc43)ccc2[nH]1 ZINC000022932307 563018506 /nfs/dbraw/zinc/01/85/06/563018506.db2.gz CCUYECGXGAFGTM-UHFFFAOYSA-N 2 0 482.657 5.183 1 0 JKAFRP CC[NH2+][C@H](CC[C@H]([NH2+]CC)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026180857 563023729 /nfs/dbraw/zinc/02/37/29/563023729.db2.gz UERQBESFMSEDBI-HDICACEKSA-N 2 0 466.236 6.493 1 0 JKAFRP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000026394830 563027377 /nfs/dbraw/zinc/02/73/77/563027377.db2.gz JNRXDGPUJNZCAR-XMMPIXPASA-N 2 0 458.650 5.832 1 0 JKAFRP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000026395713 563027391 /nfs/dbraw/zinc/02/73/91/563027391.db2.gz VMWJYELDLWZZHX-RUZDIDTESA-N 2 0 472.677 6.222 1 0 JKAFRP c1cc(-c2cccc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C[NH+]3CCC(c4ccccc4)CC3)c2)cs1 ZINC000026656227 563032424 /nfs/dbraw/zinc/03/24/24/563032424.db2.gz JHFXCMMRNYGHFT-JHOUSYSJSA-N 2 0 492.732 7.510 1 0 JKAFRP c1ccc(C[NH2+]CCC[NH2+]CCCCCCCCCCCC[NH2+]CCC[NH2+]Cc2ccccc2)cc1 ZINC000027650918 563048634 /nfs/dbraw/zinc/04/86/34/563048634.db2.gz JEDVQUPSMJLKSB-UHFFFAOYSA-N 4 0 494.812 6.426 1 0 JKAFRP Clc1ccc(N2CC[NH+](Cc3cccc(C[NH+]4CCN(c5ccc(Cl)cc5)CC4)c3)CC2)cc1 ZINC000027873042 563052491 /nfs/dbraw/zinc/05/24/91/563052491.db2.gz BSRRJUXTWJVYCC-UHFFFAOYSA-N 2 0 495.498 5.638 1 0 JKAFRP c1ccc(CC[NH2+]Cc2ccc(-c3ccc(C[NH2+]C4CCN(Cc5ccccc5)CC4)cc3)cc2)cc1 ZINC000028469275 563065205 /nfs/dbraw/zinc/06/52/05/563065205.db2.gz GVKQDVSZECJFTO-UHFFFAOYSA-N 2 0 489.707 6.440 1 0 JKAFRP Clc1cc(Cl)cc(CC[NH2+]C[C@@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000028522339 563066487 /nfs/dbraw/zinc/06/64/87/563066487.db2.gz HUEWCRPAPGAMKE-SANMLTNESA-N 2 0 460.493 5.817 1 0 JKAFRP 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 563066517 /nfs/dbraw/zinc/06/65/17/563066517.db2.gz WGJLLAVOYXFCTC-BMSXNQCFSA-N 2 0 468.726 5.688 1 0 JKAFRP Clc1cc(Cl)cc(CC[NH2+]C[C@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000028522337 563066530 /nfs/dbraw/zinc/06/65/30/563066530.db2.gz HUEWCRPAPGAMKE-AREMUKBSSA-N 2 0 460.493 5.817 1 0 JKAFRP COc1ccccc1[C@@H](C[NH2+]CCc1cc(Cl)cc(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028523637 563066904 /nfs/dbraw/zinc/06/69/04/563066904.db2.gz VMFHCPVQZNTAEM-AREMUKBSSA-N 2 0 490.519 5.826 1 0 JKAFRP C[C@H]1CCCC[N@@H+]1CCCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1cccc2ccccc21 ZINC000028524976 563067425 /nfs/dbraw/zinc/06/74/25/563067425.db2.gz SVOKPCHDCYMYDC-QHCPKHFHSA-N 2 0 492.667 6.184 1 0 JKAFRP CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000028564683 563069179 /nfs/dbraw/zinc/06/91/79/563069179.db2.gz HAVCLXMWRUTARG-ROJLCIKYSA-N 2 0 478.680 6.443 1 0 JKAFRP c1ccc2cc(CCC[NH2+]CCCCCCCCC[NH2+]CCCc3ccc4ccccc4c3)ccc2c1 ZINC000028641870 563072650 /nfs/dbraw/zinc/07/26/50/563072650.db2.gz SDDIVQACDDSUJB-UHFFFAOYSA-N 2 0 494.767 8.468 1 0 JKAFRP COC(=O)C[C@@H]1c2ccccc2[NH+]=C(N(C)CCCCC[NH+](C)C)N1c1ccc(-c2ccccc2)cc1 ZINC000028824848 563082059 /nfs/dbraw/zinc/08/20/59/563082059.db2.gz WSNHBKIWKNYYGN-GDLZYMKVSA-N 2 0 498.671 6.129 1 0 JKAFRP CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4ccnc(C[NH+]5CCCCC5)c4)ccc32)cc1 ZINC000028827068 563082738 /nfs/dbraw/zinc/08/27/38/563082738.db2.gz JIAHUHYIBFOBFK-NDEPHWFRSA-N 2 0 459.659 6.159 1 0 JKAFRP CSc1ccc([C@H]2C[N@H+](C)Cc3cccc(Oc4cncc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827075 563082745 /nfs/dbraw/zinc/08/27/45/563082745.db2.gz QDKMCOBSBCRFOL-AREMUKBSSA-N 2 0 459.659 6.159 1 0 JKAFRP CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4cccc(C[NH+]5CCCCC5)c4)ccc32)cc1 ZINC000028827065 563082779 /nfs/dbraw/zinc/08/27/79/563082779.db2.gz HAUQDPMQHAJUER-GDLZYMKVSA-N 2 0 458.671 6.764 1 0 JKAFRP CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)nc4)ccc32)cc1 ZINC000028827081 563082847 /nfs/dbraw/zinc/08/28/47/563082847.db2.gz VLEAGNJHWYVHPR-MUUNZHRXSA-N 2 0 459.659 6.159 1 0 JKAFRP 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 563084258 /nfs/dbraw/zinc/08/42/58/563084258.db2.gz NHQQBQFKOMCHDG-IMWIXVRKSA-N 2 0 480.781 6.695 1 0 in-vitro JKAFRP CC(C)(C)C1CCC(C2=[NH+]CCc3ccc([C@H]4C[C@H]4c4ccc5cc(C(N)=[NH2+])ccc5c4)cc32)CC1 ZINC000028975676 563090052 /nfs/dbraw/zinc/09/00/52/563090052.db2.gz ZQVVKXRLPHFVOG-HCVBKAHASA-N 2 0 477.696 7.593 1 0 JKAFRP CC[NH+](CC)CCNc1nc(NC2CCCCCC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038896 563090949 /nfs/dbraw/zinc/09/09/49/563090949.db2.gz PTNRMESLFYNRQY-UHFFFAOYSA-N 2 0 455.695 5.141 1 0 JKAFRP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCC[N@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029056040 563093539 /nfs/dbraw/zinc/09/35/39/563093539.db2.gz SKYWWOFBHWQWFU-FIRIVFDPSA-N 2 0 478.721 6.456 1 0 in-vivo JKAFRP CCCC[C@H](CC)C[NH+]=c1ccn(CCCCCCn2ccc(=[NH+]C[C@@H](CC)CCCC)cc2)cc1 ZINC000029237858 563099235 /nfs/dbraw/zinc/09/92/35/563099235.db2.gz ANIVHTIEQKBVJX-KYJUHHDHSA-N 2 0 494.812 7.784 1 0 JKAFRP Clc1ccc([NH+]=c2ccn(CCCCCCn3ccc(=[NH+]c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029238642 563099328 /nfs/dbraw/zinc/09/93/28/563099328.db2.gz AFPINYLIYYLGGL-UHFFFAOYSA-N 2 0 491.466 7.322 1 0 JKAFRP CCCCCC[NH+]=c1ccn(CCCCCCCn2ccc(=[NH+]CCCCCC)cc2)cc1 ZINC000029238217 563099345 /nfs/dbraw/zinc/09/93/45/563099345.db2.gz GIYMLZDMQDBQGU-UHFFFAOYSA-N 2 0 452.731 6.902 1 0 JKAFRP Cc1cc(NC(=[NH2+])c2ccccc2)ccc1-c1ccc(-c2ccc(NC(=[NH2+])c3ccccc3)cc2C)o1 ZINC000029464521 563104002 /nfs/dbraw/zinc/10/40/02/563104002.db2.gz USRZFKNSMHXOEV-UHFFFAOYSA-N 2 0 484.603 8.105 1 0 JKAFRP Clc1cccc(N2CC[NH+](CCCCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC000035985316 563121703 /nfs/dbraw/zinc/12/17/03/563121703.db2.gz YWGRWBCJUGEEBA-UHFFFAOYSA-N 2 0 475.508 5.498 1 0 in-vivo JKAFRP C[NH+](C)C[C@@H](O)Cn1cc(C2CC[NH+]([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccc(F)cc21 ZINC000036222035 563124525 /nfs/dbraw/zinc/12/45/25/563124525.db2.gz HJYXTUROPMWWHU-UFHPHHKVSA-N 2 0 471.620 5.333 1 0 JKAFRP c1ccc2cc(C[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]Cc3ccc4ccccc4c3)ccc2c1 ZINC000036294436 563125499 /nfs/dbraw/zinc/12/54/99/563125499.db2.gz XYSOPOUTKTVKOD-UHFFFAOYSA-N 4 0 482.716 5.612 1 0 JKAFRP 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 563134881 /nfs/dbraw/zinc/13/48/81/563134881.db2.gz SRXWLQYLSKHWMI-WTIXRUGHSA-N 2 0 450.755 7.096 1 0 JKAFRP [NH2+]=c1ccn(Cc2ccc3c(c2)-c2cc(Cn4ccc(=[NH2+])c5ccccc54)ccc2C3)c2ccccc12 ZINC000038803066 563135541 /nfs/dbraw/zinc/13/55/41/563135541.db2.gz WSGPHOOUFMJNRZ-UHFFFAOYSA-N 2 0 478.599 6.223 1 0 JKAFRP CC(C)[NH+](CCC(CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000039254122 563136548 /nfs/dbraw/zinc/13/65/48/563136548.db2.gz HJYXACLFMBEUDH-UHFFFAOYSA-N 2 0 458.518 5.734 1 0 JKAFRP CC1(C)CC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+]2CCCC2)CN3c2ccccc2)c2ccccc21 ZINC000040406453 563140162 /nfs/dbraw/zinc/14/01/62/563140162.db2.gz VOSNJKFVBDSLTN-MUUNZHRXSA-N 2 0 486.704 5.036 1 0 JKAFRP COc1cc2c(cc1OC)CC(CC1CC[NH+](CCNc3c4ccccc4[nH+]c4c3CCCC4)CC1)C2 ZINC000040423656 563142434 /nfs/dbraw/zinc/14/24/34/563142434.db2.gz GQLCFFCJURYPPV-UHFFFAOYSA-N 2 0 499.699 6.060 1 0 JKAFRP CCCCCC[n+]1ccc(C(=O)NCCCCCCNC(=O)c2cc[n+](CCCCCC)cc2)cc1 ZINC000040564942 563145466 /nfs/dbraw/zinc/14/54/66/563145466.db2.gz AVRKVIRZKLJRAZ-UHFFFAOYSA-P 2 0 496.740 5.142 1 0 JKAFRP C[NH+]1CCC[C@H]1c1c2cc(-c3nc(CCc4ccc(Cl)cc4)no3)[nH]c2ccc1[C@H]1CCC[N@H+]1C ZINC000040763122 563147907 /nfs/dbraw/zinc/14/79/07/563147907.db2.gz WVZHNBKEFNKNQK-RPBOFIJWSA-N 2 0 490.051 6.190 1 0 JKAFRP CC(C)[NH+](CCC(CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccccc1Br)C(C)C ZINC000040828481 563148863 /nfs/dbraw/zinc/14/88/63/563148863.db2.gz XFAFSVSBIVOALC-UHFFFAOYSA-N 2 0 468.524 5.190 1 0 JKAFRP Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(N4C[C@@H](C)[NH2+]C[C@@H]4C)c3)CC2)n1 ZINC000040861614 563150166 /nfs/dbraw/zinc/15/01/66/563150166.db2.gz CRZGBJLCKBZNIK-RPWUZVMVSA-N 2 0 472.677 5.063 1 0 JKAFRP CC(C)NC(=[NH2+])c1ccc(CCc2ccc(-c3nc4cc(C(=[NH2+])NC(C)C)ccc4[nH]3)cc2)cc1 ZINC000040874398 563151960 /nfs/dbraw/zinc/15/19/60/563151960.db2.gz DNOZUODRTZEKLY-UHFFFAOYSA-N 2 0 466.633 5.662 1 0 JKAFRP CC(C)C[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@H]3CCC(C)(C)c4ccccc43)CC2)C1=O ZINC000040915063 563155374 /nfs/dbraw/zinc/15/53/74/563155374.db2.gz MTJGMTDHBHXMOS-NDEPHWFRSA-N 2 0 488.720 5.186 1 0 JKAFRP C[NH2+][C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@H]4[NH2+]CC[C@H]4C(C)C)C3=CC[C@H]2[C@H]1OC(C)=O ZINC000044406333 563172634 /nfs/dbraw/zinc/17/26/34/563172634.db2.gz RWTFLBCUUBVVCW-LIOFWHIESA-N 2 0 498.796 6.355 1 0 JKAFRP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)c3)CC2)C1 ZINC000045167568 563173323 /nfs/dbraw/zinc/17/33/23/563173323.db2.gz DDNGKUYSKPCJEI-VWLOTQADSA-N 2 0 479.672 5.356 1 0 JKAFRP [NH3+][C@H]1CCN(CC[NH2+]Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045167848 563173435 /nfs/dbraw/zinc/17/34/35/563173435.db2.gz GDXMPLCXRQXSGI-QHCPKHFHSA-N 2 0 479.550 5.038 1 0 JKAFRP c1c[nH]c(-c2ccc(C[NH+]3CCc4ccc(N5CCC[N@@H+](Cc6ccccc6)CC5)cc4CC3)cc2)n1 ZINC000045169135 563174029 /nfs/dbraw/zinc/17/40/29/563174029.db2.gz IHLJXVGKGIQKEQ-UHFFFAOYSA-N 2 0 491.683 5.390 1 0 JKAFRP O[C@@H](C[NH2+]CCCCCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000045186712 563174209 /nfs/dbraw/zinc/17/42/09/563174209.db2.gz TWCFVVVBDJZRKL-VXKWHMMOSA-N 2 0 494.290 5.807 1 0 JKAFRP O[C@H](C[NH2+]CCCCCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000045186715 563174249 /nfs/dbraw/zinc/17/42/49/563174249.db2.gz TWCFVVVBDJZRKL-FGZHOGPDSA-N 2 0 494.290 5.807 1 0 JKAFRP C[C@@H]([NH2+]CCc1cccc(Cl)c1)C(=O)Nc1ccc(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000045188391 563174774 /nfs/dbraw/zinc/17/47/74/563174774.db2.gz YWOZOGCMFIUNSD-LEWJYISDSA-N 2 0 498.498 5.916 1 0 JKAFRP CCOc1c(CC[NH2+]CCCC[NH2+]CCc2ccc3ccccc3c2OCC)ccc2ccccc21 ZINC000045188602 563174918 /nfs/dbraw/zinc/17/49/18/563174918.db2.gz LIJGSOYDDDPSNB-UHFFFAOYSA-N 2 0 484.684 6.535 1 0 JKAFRP c1ccc(CN2CCC([NH2+]Cc3ccc(-c4ccc(C[NH2+]C5CCCC5)cc4)cc3)CC2)cc1 ZINC000045189257 563175195 /nfs/dbraw/zinc/17/51/95/563175195.db2.gz GKRIQTMHSZKVQV-UHFFFAOYSA-N 2 0 453.674 6.140 1 0 JKAFRP COc1cc2ccccc2cc1C[NH2+]CCCCCC[NH2+]Cc1cc2ccccc2cc1OC ZINC000045189979 563175416 /nfs/dbraw/zinc/17/54/16/563175416.db2.gz GCZQEKCQLMCWPI-UHFFFAOYSA-N 2 0 456.630 6.450 1 0 JKAFRP c1ccc(CC[NH2+]Cc2ccc(-c3ccc(C[NH2+]Cc4ccc5c(c4)OCO5)cc3)nc2)cc1 ZINC000045191974 563176035 /nfs/dbraw/zinc/17/60/35/563176035.db2.gz RLVUVNOQIPBOJT-UHFFFAOYSA-N 2 0 451.570 5.099 1 0 JKAFRP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@@H]6CCC[N@@H+](C)C6)CC5)cc4)cc3)nc21 ZINC000045193490 563176653 /nfs/dbraw/zinc/17/66/53/563176653.db2.gz IDTRJMKYLHJUDY-AREMUKBSSA-N 2 0 493.699 5.665 1 0 JKAFRP c1cc(-c2cccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2)sc1-c1nc2ccccc2[nH]1 ZINC000045193609 563176749 /nfs/dbraw/zinc/17/67/49/563176749.db2.gz UVWCCDANPBBUHK-UHFFFAOYSA-N 2 0 451.599 5.676 1 0 JKAFRP CCOc1cc2ccccc2cc1C[NH2+]CCCCCC[NH2+]Cc1cc2ccccc2cc1OCC ZINC000045196243 563177853 /nfs/dbraw/zinc/17/78/53/563177853.db2.gz VKMVQVNGDIWPGO-UHFFFAOYSA-N 2 0 484.684 7.230 1 0 JKAFRP CCOc1c(C[NH2+]CCCCCC[NH2+]Cc2ccc3ccccc3c2OCC)ccc2ccccc21 ZINC000045202635 563178901 /nfs/dbraw/zinc/17/89/01/563178901.db2.gz DEIVOEMPIPGJKG-UHFFFAOYSA-N 2 0 484.684 7.230 1 0 JKAFRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)cc4)c3)CC2)C1 ZINC000045226748 563179737 /nfs/dbraw/zinc/17/97/37/563179737.db2.gz UTALDSCILJYLOI-XMMPIXPASA-N 2 0 497.662 5.495 1 0 JKAFRP CC[NH+](CC)CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000045227193 563179888 /nfs/dbraw/zinc/17/98/88/563179888.db2.gz UMMYYEXVZULKFI-UHFFFAOYSA-N 2 0 491.463 5.147 1 0 JKAFRP C[NH+]1CCC(N2CC[NH+](Cc3ccc(-c4cccc(-c5nc6cc(F)ccc6[nH]5)c4)cc3)CC2)CC1 ZINC000045229262 563180687 /nfs/dbraw/zinc/18/06/87/563180687.db2.gz YRJMJAWCQCUQHM-UHFFFAOYSA-N 2 0 483.635 5.248 1 0 JKAFRP COc1ccc2ccccc2c1C[NH2+]CCCCCC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000045229679 563180924 /nfs/dbraw/zinc/18/09/24/563180924.db2.gz JZIWZMRDNDNZSJ-UHFFFAOYSA-N 2 0 456.630 6.450 1 0 JKAFRP CC(C)CCNC(=[NH2+])Nc1ccc(OCCCOc2ccc(NC(=[NH2+])NCCC(C)C)cc2)cc1 ZINC000045230202 563181079 /nfs/dbraw/zinc/18/10/79/563181079.db2.gz URRAXPDEUCMLDS-UHFFFAOYSA-N 2 0 482.673 5.499 1 0 JKAFRP CCCC[C@H](C[NH2+]Cc1ccccc1)N1CC[N@H+](CC2CCCCCC2)[C@H](Cc2ccc(O)cc2)C1 ZINC000045284376 563183619 /nfs/dbraw/zinc/18/36/19/563183619.db2.gz ORZNDHUCZUUQIO-FIRIVFDPSA-N 2 0 491.764 6.240 1 0 JKAFRP c1csc([C@H](c2ccccc2)[NH+]2CCN(Cc3ccc(OCCC[NH+]4CCCCC4)cc3)CC2)c1 ZINC000045301254 563185751 /nfs/dbraw/zinc/18/57/51/563185751.db2.gz FGEZYTLCGMIFRI-PMERELPUSA-N 2 0 489.729 5.910 1 0 JKAFRP C[NH+](C)C12C[C@@H](c3ccc(Cl)cc3)C([C@H](c3ccc(Cl)cc3)C1)[N@H+](CCc1ccccc1)CC2 ZINC000045303296 563187221 /nfs/dbraw/zinc/18/72/21/563187221.db2.gz FQCWPRLQQZITFX-HZVHRBLSSA-N 2 0 493.522 7.272 1 0 JKAFRP COc1cc2ccccc2c(C[NH2+]CCCCCC[NH2+]Cc2cc(OC)cc3ccccc32)c1 ZINC000045322484 563188529 /nfs/dbraw/zinc/18/85/29/563188529.db2.gz MQUXYRZUSAVSDG-UHFFFAOYSA-N 2 0 456.630 6.450 1 0 JKAFRP C[C@H](Cc1ccc(NC(=O)[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045322750 563188680 /nfs/dbraw/zinc/18/86/80/563188680.db2.gz YWOZOGCMFIUNSD-RTWAWAEBSA-N 2 0 498.498 5.916 1 0 JKAFRP Fc1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)cc4)cc3)nc2c1 ZINC000045323552 563188872 /nfs/dbraw/zinc/18/88/72/563188872.db2.gz RPKYTJMLZBTZKB-UHFFFAOYSA-N 2 0 496.674 7.124 1 0 JKAFRP CCc1c2c(ccc1C[C@@H](C)[NH2+]CCCCCC[NH2+]CCc1ccc(OC)c(OC)c1CC)OCO2 ZINC000045337570 563190527 /nfs/dbraw/zinc/19/05/27/563190527.db2.gz JQACBXGNVVCELT-JOCHJYFZSA-N 2 0 498.708 5.471 1 0 JKAFRP CCCCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCCC)c(C)c2)cc1C ZINC000045352143 563191958 /nfs/dbraw/zinc/19/19/58/563191958.db2.gz GMTRWEQSGXNFJI-UHFFFAOYSA-N 2 0 494.852 8.945 1 0 JKAFRP C[NH+](C)Cc1ccccc1NC(=O)OC[C@@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045356885 563192525 /nfs/dbraw/zinc/19/25/25/563192525.db2.gz IRTLDLFAEDDTRD-HSZRJFAPSA-N 2 0 488.613 5.616 1 0 JKAFRP Brc1cccc(C[NH2+]C[C@@H]2CCC[C@@H](C[NH2+]Cc3cccc(Br)c3)C2)c1 ZINC000045364194 563192856 /nfs/dbraw/zinc/19/28/56/563192856.db2.gz KBXNIFDFDMLTMB-QZTJIDSGSA-N 2 0 480.288 5.897 1 0 JKAFRP O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH+]([C@@H](c2ccccc2)C2CC[NH2+]CC2)CC1 ZINC000045372881 563193906 /nfs/dbraw/zinc/19/39/06/563193906.db2.gz CNSYGZOEIHDOQH-HKBQPEDESA-N 2 0 467.657 5.094 1 0 JKAFRP [NH3+]CC1(c2ccc(Cl)cc2)CC[NH+](CCCN2c3ccccc3CCc3ccccc32)CC1 ZINC000045388266 563194801 /nfs/dbraw/zinc/19/48/01/563194801.db2.gz ZTIPITRZZQMLQT-UHFFFAOYSA-N 2 0 460.065 5.959 1 0 JKAFRP c1c2ccc(C3=[NH+]CCCN3)cc2sc1-c1ccc(Oc2ccc(C3=[NH+]CCCN3)cc2)cc1 ZINC000045389135 563194932 /nfs/dbraw/zinc/19/49/32/563194932.db2.gz PYKJBLRBBLXCRX-UHFFFAOYSA-N 2 0 466.610 5.840 1 0 JKAFRP Clc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000045391964 563195190 /nfs/dbraw/zinc/19/51/90/563195190.db2.gz AUGSRYPBJRGKTN-IYBDPMFKSA-N 2 0 460.276 6.986 1 0 JKAFRP c1ccc(C[NH2+]CCN(Cc2ccc(C[NH2+]Cc3ccccn3)cc2)[C@H]2CCCc3cccnc32)cc1 ZINC000049071415 563201367 /nfs/dbraw/zinc/20/13/67/563201367.db2.gz VPHPNWIYBHWZEE-HKBQPEDESA-N 2 0 491.683 5.436 1 0 JKAFRP Cc1nc(-c2ccccc2)c(C[NH2+]CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000053276681 563205538 /nfs/dbraw/zinc/20/55/38/563205538.db2.gz FKGRBKWRGKTKBI-UHFFFAOYSA-N 2 0 466.629 5.147 1 0 JKAFRP FC(F)(F)Oc1ccc([C@@H]2C[N@@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000058685728 563208688 /nfs/dbraw/zinc/20/86/88/563208688.db2.gz SMMVELORIHFJCC-UIOOFZCWSA-N 2 0 474.567 6.122 1 0 JKAFRP c1ccc2c(c1)N[C@@H]1CCCCC1=C2[NH2+]CCCCCCCC[NH2+][C@H]1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000195108718 581091150 /nfs/dbraw/zinc/09/11/50/581091150.db2.gz LVRVQELTVCNPQT-USCUKXROSA-N 3 0 464.742 6.206 1 0 JKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNC2=C3CCCCC3=[NH+][C@@H]3C=CC=C[C@H]23)CCCC1 ZINC000084541449 581091163 /nfs/dbraw/zinc/09/11/63/581091163.db2.gz PRYRMSLFNNPLDU-RBJSKKJNSA-N 2 0 494.727 7.459 1 0 JKAFRP c1ccc2c(c1)N[C@@H]1CCCCC1=C2[NH2+]CCCCCCCC[NH2+][C@H]1CC[NH2+][C@H]2CCCC[C@H]12 ZINC000101269343 581091199 /nfs/dbraw/zinc/09/11/99/581091199.db2.gz LVRVQELTVCNPQT-QCVYLVASSA-N 3 0 464.742 6.206 1 0 JKAFRP 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 560054766 /nfs/dbraw/zinc/05/47/66/560054766.db2.gz KUAFTTDYFQSMKD-KZCJGXNNSA-N 3 0 455.775 5.646 1 0 biogenic,in-vitro JKAFRP CCCCC[C@H]1C[C@H]2[C@@H]3[NH2+][C@H](C[NH2+]C)CC[C@@H]3C[C@@]34[C@@H](C[C@]23C1)[C@@]1(O)C[C@H]2C=C[C@@H]([C@@H]4O)[C@](C)(C2)C1 ZINC000085547461 560072363 /nfs/dbraw/zinc/07/23/63/560072363.db2.gz BQBFTNPWAVYULJ-OKFAVWGWSA-N 2 0 496.780 5.044 1 0 biogenic,in-vitro JKAFRP CN(c1n[n+]2c(-c3ccccc3)csc2s1)c1n[n+]2c(-c3ccccc3)csc2s1 ZINC000001632398 562921897 /nfs/dbraw/zinc/92/18/97/562921897.db2.gz MLFQDIXWXGFUOF-UHFFFAOYSA-N 2 0 465.654 5.302 1 0 JKAFRP Clc1cc2nc(C3CC[NH2+]CC3)n(Cc3ccc(C[NH2+]CCCn4ccnc4)cc3)c2cc1Cl ZINC000003639566 562927504 /nfs/dbraw/zinc/92/75/04/562927504.db2.gz HQDBIZVNQBATNU-UHFFFAOYSA-N 2 0 497.474 5.235 1 0 JKAFRP Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(N4C[C@@H](C)[NH2+][C@@H](C)C4)c3)CC2)n1 ZINC000003816902 562928945 /nfs/dbraw/zinc/92/89/45/562928945.db2.gz NMPMXBWKUBBUAY-PSWAGMNNSA-N 2 0 472.677 5.063 1 0 JKAFRP CCCCCCNC(=[NH2+])c1ccc(N2CCN(c3ccc(C(=[NH2+])NCCCCCC)cc3)CC2)cc1 ZINC000003986792 562931605 /nfs/dbraw/zinc/93/16/05/562931605.db2.gz JUKZZXZIVGSBKH-UHFFFAOYSA-N 2 0 490.740 6.004 1 0 JKAFRP c1ccc2c(c1)cccc2C[NH2+]CCCCCCCCCCCC[NH2+]Cc1cccc2ccccc21 ZINC000005888448 562935662 /nfs/dbraw/zinc/93/56/62/562935662.db2.gz OEXYPCKYSZKKFX-UHFFFAOYSA-N 2 0 480.740 8.773 1 0 JKAFRP c1cc(-c2ccc(C3=[NH+][C@@H]4CCCC[C@@H]4N3)cc2)oc1-c1ccc(C2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000006040283 562936548 /nfs/dbraw/zinc/93/65/48/562936548.db2.gz ZGJGWFQQOVEGLB-POYMRFPPSA-N 2 0 464.613 5.936 1 0 JKAFRP CCC[N@H+](CCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)[C@H]1CCc2ccc(O)cc2C1 ZINC000013438635 562962692 /nfs/dbraw/zinc/96/26/92/562962692.db2.gz HUTRNXILWVFUDE-QHCPKHFHSA-N 2 0 490.519 5.871 1 0 JKAFRP CCc1nc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1cccc(-c2ccc(C(N)=[NH2+])cc2)c1 ZINC000013441143 562963203 /nfs/dbraw/zinc/96/32/03/562963203.db2.gz NCFLYHHOMLLYCQ-UHFFFAOYSA-N 2 0 494.643 5.438 1 0 JKAFRP C[NH+](C)Cc1ccc(CSCCCCCCCCCSCc2ccc(C[NH+](C)C)o2)o1 ZINC000013452590 562964848 /nfs/dbraw/zinc/96/48/48/562964848.db2.gz MYTVLVZQXNODTK-UHFFFAOYSA-N 2 0 466.757 6.893 1 0 JKAFRP c1cc(-c2ccc(C[n+]3ccc(N4CCCC4)cc3)cc2)ccc1C[n+]1ccc(N2CCCC2)cc1 ZINC000013584364 562976187 /nfs/dbraw/zinc/97/61/87/562976187.db2.gz DQPFXFWUGJAVCM-UHFFFAOYSA-N 2 0 476.668 5.226 1 0 JKAFRP Oc1cc(Cl)c([C@@H]2[NH+]=CN[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2Cl)c(Cl)c1 ZINC000013607940 562979045 /nfs/dbraw/zinc/97/90/45/562979045.db2.gz IOMUFHNCTKDSQD-YADHBBJMSA-N 2 0 468.812 5.631 1 0 JKAFRP c1ccc(CCC[NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+]CCCc2ccccc2)cc1 ZINC000013650035 562981126 /nfs/dbraw/zinc/98/11/26/562981126.db2.gz UVTMDSZXBPWFMJ-UHFFFAOYSA-N 4 0 480.785 5.341 1 0 JKAFRP O=C(NC1CC[NH+](Cc2cccc(Oc3ccccc3Cl)c2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000013686241 562984449 /nfs/dbraw/zinc/98/44/49/562984449.db2.gz XZSLPXJGQLDVET-LJAQVGFWSA-N 2 0 490.047 5.144 1 0 JKAFRP c1cc(C[n+]2ccc(N3CCCC3)cc2)ccc1Cc1ccc(C[n+]2ccc(N3CCCC3)cc2)cc1 ZINC000013837739 563001619 /nfs/dbraw/zinc/00/16/19/563001619.db2.gz CSVIFHLXVBYGNN-UHFFFAOYSA-N 2 0 490.695 5.149 1 0 JKAFRP CC[C@@H](C)[C@H](C[NH2+]C)NC[C@@H](Cc1cccc2ccccc21)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000022938910 563019344 /nfs/dbraw/zinc/01/93/44/563019344.db2.gz ZFKQBJHCEJBGQT-RZLJKOCPSA-N 2 0 485.638 5.826 3 0 JKAFRP C[NH+](C)CCCC(=O)Nc1ccc(-c2ccc(-c3ccc(NC(=O)CCC[NH+](C)C)cc3)o2)cc1 ZINC000026154179 563022523 /nfs/dbraw/zinc/02/25/23/563022523.db2.gz ZRRFHLHNLWLQLL-UHFFFAOYSA-N 2 0 476.621 5.174 1 0 JKAFRP COc1ccc(Br)cc1-c1nc(C[NH2+]CC[C@@H]2CC[N@H+](Cc3ccccc3)C2)co1 ZINC000026176945 563023509 /nfs/dbraw/zinc/02/35/09/563023509.db2.gz PUTIADDALKYHRM-LJQANCHMSA-N 2 0 470.411 5.115 1 0 JKAFRP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000026393522 563027323 /nfs/dbraw/zinc/02/73/23/563027323.db2.gz WQJGOAVTBXSUMW-AREMUKBSSA-N 2 0 486.704 6.612 1 0 JKAFRP 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 563044637 /nfs/dbraw/zinc/04/46/37/563044637.db2.gz WBMOHCBEBDKSBI-GUUMEGLWSA-N 2 0 494.745 7.306 1 0 JKAFRP CCc1ccc(C[NH2+]CCC[NH2+]CCCCCCCC[NH2+]CCC[NH2+]Cc2ccc(CC)cc2)cc1 ZINC000027650789 563048584 /nfs/dbraw/zinc/04/85/84/563048584.db2.gz NKCSKDJNPWGRPZ-UHFFFAOYSA-N 4 0 494.812 5.991 1 0 JKAFRP Clc1ccc(C[NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000027651148 563048638 /nfs/dbraw/zinc/04/86/38/563048638.db2.gz CGGBMZPHLRKVKH-UHFFFAOYSA-N 4 0 493.567 5.783 1 0 JKAFRP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(CC[NH3+])cc2)ccc1C[NH+]1CCCC1 ZINC000027870426 563052395 /nfs/dbraw/zinc/05/23/95/563052395.db2.gz LHTKTQNAKFPACM-UHFFFAOYSA-N 2 0 472.654 5.970 1 0 JKAFRP CCCCc1nc2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028089776 563055619 /nfs/dbraw/zinc/05/56/19/563055619.db2.gz MFYPOSMFHGOLGC-UHFFFAOYSA-N 2 0 496.659 5.705 1 0 JKAFRP CC[N@H+](CCCNC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CC1CCCCC1 ZINC000028130036 563057199 /nfs/dbraw/zinc/05/71/99/563057199.db2.gz ASRRIQICWNITQV-UHFFFAOYSA-N 2 0 461.738 6.165 1 0 JKAFRP c1cncc(Cc2cccc(C[NH2+]CCCC[NH2+]Cc3cccc(Cc4cccnc4)c3)c2)c1 ZINC000028257277 563059239 /nfs/dbraw/zinc/05/92/39/563059239.db2.gz CAAUZWKHFANQLS-UHFFFAOYSA-N 2 0 450.630 5.318 1 0 JKAFRP c1cc(Cc2ccc(C[NH2+]CCCC[NH2+]Cc3ccc(Cc4ccncc4)cc3)cc2)ccn1 ZINC000028257146 563059251 /nfs/dbraw/zinc/05/92/51/563059251.db2.gz BYAFWZHNRXBCDH-UHFFFAOYSA-N 2 0 450.630 5.318 1 0 JKAFRP c1ccc(COc2ccc(C[NH2+]CCCC[NH2+]Cc3ccc(OCc4ccccc4)cc3)cc2)cc1 ZINC000028258900 563059320 /nfs/dbraw/zinc/05/93/20/563059320.db2.gz OIGMSHNEWLKOIC-UHFFFAOYSA-N 2 0 480.652 6.504 1 0 JKAFRP CCNC(=O)c1ccc(C(c2cccc(C[NH3+])c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028397910 563063995 /nfs/dbraw/zinc/06/39/95/563063995.db2.gz DFULXWMDDNTBGP-MKPDMIMOSA-N 2 0 455.602 5.117 1 0 JKAFRP COc1ccc(CC[NH2+]C2CC[NH+](CCCC(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000028460488 563064493 /nfs/dbraw/zinc/06/44/93/563064493.db2.gz VOIKZVAQYXOIRE-UHFFFAOYSA-N 2 0 472.673 5.913 1 0 JKAFRP COc1ccc(CC[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028520432 563066148 /nfs/dbraw/zinc/06/61/48/563066148.db2.gz JDANRXAKCVSJHD-HHHXNRCGSA-N 2 0 489.626 5.538 1 0 JKAFRP COc1ccc(CC[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028520434 563066252 /nfs/dbraw/zinc/06/62/52/563066252.db2.gz JDANRXAKCVSJHD-MHZLTWQESA-N 2 0 489.626 5.538 1 0 JKAFRP 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 563066294 /nfs/dbraw/zinc/06/62/94/563066294.db2.gz BJEAHAPLWWPUQZ-XGHHNQJOSA-N 2 0 454.699 5.345 1 0 JKAFRP COc1ccc(CC[NH2+]C[C@@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028522930 563066613 /nfs/dbraw/zinc/06/66/13/563066613.db2.gz FDSAKRKDLPNMLT-PMERELPUSA-N 2 0 477.737 5.816 1 0 JKAFRP FC(F)(F)c1ccc([C@@H](C[NH2+]CCc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523049 563066675 /nfs/dbraw/zinc/06/66/75/563066675.db2.gz BRYYHLGRUGDGBG-AREMUKBSSA-N 2 0 459.600 5.529 1 0 JKAFRP COc1ccc([C@H](C[NH2+]CCc2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523127 563066692 /nfs/dbraw/zinc/06/66/92/563066692.db2.gz NRNLTIJPSVVKQO-MHZLTWQESA-N 2 0 489.626 5.538 1 0 JKAFRP Cc1ccc(CC[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523732 563067002 /nfs/dbraw/zinc/06/70/02/563067002.db2.gz RNQHDIZVKYTQNH-MHZLTWQESA-N 2 0 473.627 5.838 1 0 JKAFRP COc1ccccc1CC[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028523997 563067037 /nfs/dbraw/zinc/06/70/37/563067037.db2.gz GKLOYHIRKOCPMO-AREMUKBSSA-N 2 0 489.626 5.538 1 0 JKAFRP C[C@@H]1CCCC[N@@H+]1CCCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1cccc2ccccc21 ZINC000028524975 563067347 /nfs/dbraw/zinc/06/73/47/563067347.db2.gz SVOKPCHDCYMYDC-HSZRJFAPSA-N 2 0 492.667 6.184 1 0 JKAFRP C[N@@H+]1CCC[C@@H]1CCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1cccc2ccccc21 ZINC000028525519 563067618 /nfs/dbraw/zinc/06/76/18/563067618.db2.gz DQNLQLNKDWCSDB-AREMUKBSSA-N 2 0 464.613 5.404 1 0 JKAFRP C[NH+]1CCC([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028645905 563073219 /nfs/dbraw/zinc/07/32/19/563073219.db2.gz RWOYIJLZFRIMKP-JGCGQSQUSA-N 2 0 487.707 6.045 1 0 JKAFRP CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)cn4)ccc32)cc1 ZINC000028827082 563082853 /nfs/dbraw/zinc/08/28/53/563082853.db2.gz UCIGGFFPBMFKPO-MHZLTWQESA-N 2 0 459.659 6.159 1 0 JKAFRP CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4cc(C[NH+]5CCCCC5)ccn4)ccc32)cc1 ZINC000028827077 563082895 /nfs/dbraw/zinc/08/28/95/563082895.db2.gz AWKILERFBATDPB-HHHXNRCGSA-N 2 0 459.659 6.159 1 0 JKAFRP CC(C)NC(=[NH2+])c1ccc2oc(CCCCCc3cc4cc(C(=[NH2+])NC(C)C)ccc4o3)cc2c1 ZINC000028870142 563084057 /nfs/dbraw/zinc/08/40/57/563084057.db2.gz AOHLKUJIFWADQW-UHFFFAOYSA-N 2 0 472.633 6.781 1 0 JKAFRP 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 563084320 /nfs/dbraw/zinc/08/43/20/563084320.db2.gz VLDPMNNSRDPUBG-IMWIXVRKSA-N 2 0 478.765 6.471 1 0 JKAFRP FC(F)(F)Oc1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885832 563084916 /nfs/dbraw/zinc/08/49/16/563084916.db2.gz SMMVELORIHFJCC-IZZNHLLZSA-N 2 0 474.567 6.122 1 0 JKAFRP C[NH+](C)CC[C@@H](Oc1ccc(Br)cc1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000028892954 563085266 /nfs/dbraw/zinc/08/52/66/563085266.db2.gz OYCZRPQRIZGOTB-RUZDIDTESA-N 2 0 475.471 5.776 1 0 JKAFRP C[N@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000028893113 563085312 /nfs/dbraw/zinc/08/53/12/563085312.db2.gz NZPOPKFDIKJIRC-XMMPIXPASA-N 2 0 450.520 5.486 1 0 JKAFRP Fc1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNc2c3c([nH+]c4ccccc42)CCC3)CCC1 ZINC000028968523 563089569 /nfs/dbraw/zinc/08/95/69/563089569.db2.gz VHKNBFAMCSGHDA-UHFFFAOYSA-N 2 0 482.647 7.374 1 0 JKAFRP C[NH2+]Cc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000029131083 563097073 /nfs/dbraw/zinc/09/70/73/563097073.db2.gz WMIWAHNZDCLEIJ-UHFFFAOYSA-N 2 0 462.421 5.206 1 0 JKAFRP CCOc1ccc(Nc2nc3ccc(Cl)cc3c(NCC[NH+](CC)CC)n2)cc1C[NH+]1CCCC1 ZINC000029203219 563098213 /nfs/dbraw/zinc/09/82/13/563098213.db2.gz UKFLMICXBONFQP-UHFFFAOYSA-N 2 0 497.087 5.775 1 0 JKAFRP CCCC[C@H](CC)C[NH+]=c1ccn(CCCCCn2ccc(=[NH+]C[C@@H](CC)CCCC)cc2)cc1 ZINC000029235051 563099120 /nfs/dbraw/zinc/09/91/20/563099120.db2.gz UTJKFUDZLYHIEY-VMPREFPWSA-N 2 0 480.785 7.394 1 0 JKAFRP CCCC[C@@H](CC)C[NH+]=c1ccn(CCCCCn2ccc(=[NH+]C[C@@H](CC)CCCC)cc2)cc1 ZINC000029235044 563099139 /nfs/dbraw/zinc/09/91/39/563099139.db2.gz UTJKFUDZLYHIEY-ISILISOKSA-N 2 0 480.785 7.394 1 0 JKAFRP CCCCCC[NH+]=c1ccn(CCCCCCCCCCn2ccc(=[NH+]CCCCCC)cc2)cc1 ZINC000029233020 563099151 /nfs/dbraw/zinc/09/91/51/563099151.db2.gz AUXUBFCDZPSLIM-UHFFFAOYSA-N 2 0 494.812 8.073 1 0 JKAFRP CCCC[C@@H](CC)C[NH+]=c1ccn(CCCCCCn2ccc(=[NH+]C[C@@H](CC)CCCC)cc2)cc1 ZINC000029237850 563099234 /nfs/dbraw/zinc/09/92/34/563099234.db2.gz ANIVHTIEQKBVJX-RNPORBBMSA-N 2 0 494.812 7.784 1 0 JKAFRP CCCCCC[NH+]=c1ccn(CCCCCCCCn2ccc(=[NH+]CCCCCC)cc2)cc1 ZINC000029235649 563099238 /nfs/dbraw/zinc/09/92/38/563099238.db2.gz BENDNCGAAJVNCA-UHFFFAOYSA-N 2 0 466.758 7.292 1 0 JKAFRP CCCC[C@H](CC)C[NH+]=c1ccn(CCCCn2ccc(=[NH+]C[C@@H](CC)CCCC)cc2)cc1 ZINC000029237425 563099240 /nfs/dbraw/zinc/09/92/40/563099240.db2.gz RXSINCLOGMRLIF-NSOVKSMOSA-N 2 0 466.758 7.004 1 0 JKAFRP 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 563108427 /nfs/dbraw/zinc/10/84/27/563108427.db2.gz OHLRJZOLGDLFBC-LXFCCGDJSA-N 2 0 459.634 5.408 1 0 JKAFRP c1cc(OCCC[NH+]2CCCCC2)cc2c1oc1ccc(OCCC[NH+]3CCCCC3)cc12 ZINC000039208137 563136400 /nfs/dbraw/zinc/13/64/00/563136400.db2.gz QBIMYKHRVMOJAL-UHFFFAOYSA-N 2 0 450.623 6.096 1 0 JKAFRP CC(C)[NH+](CCC(CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000039254120 563136529 /nfs/dbraw/zinc/13/65/29/563136529.db2.gz NXYYHUCIAWSJDW-UHFFFAOYSA-N 2 0 458.518 5.734 1 0 JKAFRP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040847405 563149348 /nfs/dbraw/zinc/14/93/48/563149348.db2.gz WPEZRTUHCJUFJO-BWVDWJPHSA-N 2 0 456.803 7.725 1 0 JKAFRP CCCC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@H]3CCCc4c(Cl)cccc43)CC2)C1=O ZINC000040892429 563153364 /nfs/dbraw/zinc/15/33/64/563153364.db2.gz ZMEBBPWUVGTYBO-MHZLTWQESA-N 2 0 495.111 5.248 1 0 JKAFRP CC1(C)CC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH2+]C2CCC2)CN3c2ccccc2)c2ccccc21 ZINC000040915471 563155439 /nfs/dbraw/zinc/15/54/39/563155439.db2.gz KBWCMSUFRLCWIT-MUUNZHRXSA-N 2 0 486.704 5.082 1 0 JKAFRP Clc1ccc2c(c1)nccc2Nc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000040934215 563157312 /nfs/dbraw/zinc/15/73/12/563157312.db2.gz SXCHZJZOCXBKIN-AFMDSPMNSA-N 2 0 469.460 6.639 1 0 JKAFRP COc1ccc2[nH+]ccc(N[C@H](c3ccc(Cl)cc3)c3ccc(C[NH+]4CCCC4)cc3)c2c1 ZINC000040975753 563161933 /nfs/dbraw/zinc/16/19/33/563161933.db2.gz ZPQCQSBWSHMMGA-NDEPHWFRSA-N 2 0 458.005 6.694 1 0 JKAFRP COc1ccc2cc3[n+](cc2c1OCCCCCC[n+]1ccccc1)CCc1cc2c(cc1-3)OCO2 ZINC000040980199 563162457 /nfs/dbraw/zinc/16/24/57/563162457.db2.gz PARVUKRPMAIMOY-UHFFFAOYSA-N 2 0 484.596 5.015 1 0 JKAFRP CC[NH+](CC)Cc1cc(NCC[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000040980642 563162562 /nfs/dbraw/zinc/16/25/62/563162562.db2.gz JLZFEGSJMIIVKX-UHFFFAOYSA-N 2 0 466.073 6.371 1 0 JKAFRP CC(C)NC(=[NH2+])c1ccc(OCc2ccccc2COc2ccc(C(=[NH2+])NC(C)C)cc2)cc1 ZINC000043015504 563164548 /nfs/dbraw/zinc/16/45/48/563164548.db2.gz UROHAZPVEQMMHF-UHFFFAOYSA-N 2 0 458.606 5.491 1 0 JKAFRP CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+] ZINC000043062834 563165923 /nfs/dbraw/zinc/16/59/23/563165923.db2.gz QOEZFPWZLVEVHD-ZIZMWOSYSA-N 3 0 484.773 5.333 1 0 JKAFRP 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 563172588 /nfs/dbraw/zinc/17/25/88/563172588.db2.gz DDLGAIMIRZSOGX-AEMRNUKGSA-N 2 0 450.755 6.925 1 0 JKAFRP C[NH2+][C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@@H]4[NH2+]CC[C@H]4C(C)C)C3=CC[C@H]2[C@H]1OC(C)=O ZINC000044406337 563172629 /nfs/dbraw/zinc/17/26/29/563172629.db2.gz RWTFLBCUUBVVCW-WJCOYRBYSA-N 2 0 498.796 6.355 1 0 JKAFRP c1ccc(-c2cc(NCCNc3cc(-c4ccccc4)[nH+]c4ccccc34)c3ccccc3[nH+]2)cc1 ZINC000045166846 563172862 /nfs/dbraw/zinc/17/28/62/563172862.db2.gz QAGKGDQDDBPONT-UHFFFAOYSA-N 2 0 466.588 7.641 1 0 JKAFRP CCC[NH2+]Cc1ccc(-c2ccc(CN(Cc3cccs3)C(=O)C3CC[NH+](C)CC3)cc2)nc1 ZINC000045167237 563172960 /nfs/dbraw/zinc/17/29/60/563172960.db2.gz PAOKHTXRNQRILR-UHFFFAOYSA-N 2 0 476.690 5.180 1 0 JKAFRP [NH3+][C@@H]1CCN(CC[NH2+]Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045167850 563173431 /nfs/dbraw/zinc/17/34/31/563173431.db2.gz GDXMPLCXRQXSGI-HSZRJFAPSA-N 2 0 479.550 5.038 1 0 JKAFRP Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)cc3)nc21 ZINC000045169029 563174050 /nfs/dbraw/zinc/17/40/50/563174050.db2.gz WLOQFWUAZAHZQK-UHFFFAOYSA-N 2 0 459.597 5.923 1 0 JKAFRP C[C@H](Cc1ccc(NC(=O)[C@@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045188388 563174829 /nfs/dbraw/zinc/17/48/29/563174829.db2.gz YWOZOGCMFIUNSD-NHCUHLMSSA-N 2 0 498.498 5.916 1 0 JKAFRP c1ccc(CC[NH2+]Cc2ccc(-c3ccc(C[NH2+]C4CCN(Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000045188913 563175077 /nfs/dbraw/zinc/17/50/77/563175077.db2.gz ZRRAYFGFDMYDRN-UHFFFAOYSA-N 2 0 490.695 5.835 1 0 JKAFRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)CC2)C1 ZINC000045192137 563176193 /nfs/dbraw/zinc/17/61/93/563176193.db2.gz MHRPYJRWKGMEQC-RUZDIDTESA-N 2 0 479.672 5.356 1 0 JKAFRP O=C(N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1)c1cc(Cl)cc(Cl)c1 ZINC000045194354 563177055 /nfs/dbraw/zinc/17/70/55/563177055.db2.gz RCKODHMULZNHCI-DEOSSOPVSA-N 2 0 490.475 5.253 1 0 JKAFRP CN(C)c1c(C[NH2+]CCCCCC[NH2+]Cc2ccc3ccccc3c2N(C)C)ccc2ccccc21 ZINC000045202127 563178566 /nfs/dbraw/zinc/17/85/66/563178566.db2.gz VXLRXIXVAOPFEQ-UHFFFAOYSA-N 2 0 482.716 6.565 1 0 JKAFRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)cc4)cc3)CC2)C1 ZINC000045202939 563179148 /nfs/dbraw/zinc/17/91/48/563179148.db2.gz LSVGVGAFKYWUPM-XMMPIXPASA-N 2 0 497.662 5.495 1 0 JKAFRP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)cc4)c3)CC2)C1 ZINC000045226746 563179814 /nfs/dbraw/zinc/17/98/14/563179814.db2.gz UTALDSCILJYLOI-DEOSSOPVSA-N 2 0 497.662 5.495 1 0 JKAFRP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@@H]6CCC[N@@H+](C)C6)CC5)cc4)s3)nc21 ZINC000045227195 563179956 /nfs/dbraw/zinc/17/99/56/563179956.db2.gz IVMKRAYVVSIQNQ-XMMPIXPASA-N 2 0 499.728 5.726 1 0 JKAFRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)cc1 ZINC000045229438 563180792 /nfs/dbraw/zinc/18/07/92/563180792.db2.gz YBVHJEHMTWSBGL-UHFFFAOYSA-N 2 0 492.570 6.726 1 0 JKAFRP c1ccc(C[N@@H+]2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045255063 563182531 /nfs/dbraw/zinc/18/25/31/563182531.db2.gz FWZLWQQVGRBNON-HWOSFROGSA-N 2 0 450.670 6.847 1 0 JKAFRP c1ccc(CC[N@@H+]2CCC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045257518 563182871 /nfs/dbraw/zinc/18/28/71/563182871.db2.gz IICFZHYLKLBMKX-HWOSFROGSA-N 2 0 450.670 6.499 1 0 JKAFRP CCN(CC)C(=O)c1ccc(N(c2cccc(C[NH+](C)C)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045300410 563185595 /nfs/dbraw/zinc/18/55/95/563185595.db2.gz IAHYHCFVFBNLJM-UHFFFAOYSA-N 2 0 498.715 6.033 1 0 JKAFRP c1csc([C@@H](c2ccccc2)[NH+]2CCN(Cc3ccc(OCCC[NH+]4CCCCC4)cc3)CC2)c1 ZINC000045301256 563185760 /nfs/dbraw/zinc/18/57/60/563185760.db2.gz FGEZYTLCGMIFRI-SSEXGKCCSA-N 2 0 489.729 5.910 1 0 JKAFRP Fc1ccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)c4)cc3)nc2c1 ZINC000045301628 563185869 /nfs/dbraw/zinc/18/58/69/563185869.db2.gz LNRGPOKJFSHBOZ-UHFFFAOYSA-N 2 0 496.674 7.124 1 0 JKAFRP CC(C)C[NH2+]Cc1ccc(-c2cccc(CN(CC[NH+](C)C)C(=O)NCCc3ccccc3)c2)cc1 ZINC000045302462 563186383 /nfs/dbraw/zinc/18/63/83/563186383.db2.gz UQGLEEUDVGGSSO-UHFFFAOYSA-N 2 0 486.704 5.415 1 0 JKAFRP CCCCCNC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(=[NH2+])NCCCCC)cc2)cc1 ZINC000045302582 563186514 /nfs/dbraw/zinc/18/65/14/563186514.db2.gz GUJLIXNLGNGQJD-UHFFFAOYSA-N 2 0 480.697 6.525 1 0 JKAFRP COc1ccc2c(c1)CC(C)(C)[NH2+][C@@H]2CCCCCCCC[C@@H]1[NH2+]C(C)(C)Cc2cc(OC)ccc21 ZINC000045322779 563188654 /nfs/dbraw/zinc/18/86/54/563188654.db2.gz JVXNLGMSPWTFFF-RNPORBBMSA-N 2 0 492.748 7.456 1 0 JKAFRP COc1ccc2c(c1)CC(C)(C)[NH2+][C@@H]2CCCCCCCC[C@H]1[NH2+]C(C)(C)Cc2cc(OC)ccc21 ZINC000045322782 563188670 /nfs/dbraw/zinc/18/86/70/563188670.db2.gz JVXNLGMSPWTFFF-LOYHVIPDSA-N 2 0 492.748 7.456 1 0 JKAFRP COc1ccc(CC[NH2+]CCCCCC[NH2+]CCc2ccc(Cl)c(Cl)c2)cc1OC ZINC000045323834 563188986 /nfs/dbraw/zinc/18/89/86/563188986.db2.gz UZMHHBDLMJZQPG-UHFFFAOYSA-N 2 0 453.454 5.535 1 0 JKAFRP CCCCNC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(=[NH2+])NCCCC)cc2)cc1 ZINC000045335093 563189863 /nfs/dbraw/zinc/18/98/63/563189863.db2.gz BXDPURVDDOVGLR-UHFFFAOYSA-N 2 0 452.643 5.745 1 0 JKAFRP c1[nH]c2ccccc2c1C1CC[NH+](CCCCOc2ccc3c(c2)CC[N@@H+](CC2CC2)CC3)CC1 ZINC000045336229 563190245 /nfs/dbraw/zinc/19/02/45/563190245.db2.gz LXCYASMEZYQPFT-UHFFFAOYSA-N 2 0 471.689 6.017 1 0 JKAFRP CCc1c2c(ccc1C[C@H](C)[NH2+]CCCCCC[NH2+]CCc1ccc(OC)c(OC)c1CC)OCO2 ZINC000045337568 563190496 /nfs/dbraw/zinc/19/04/96/563190496.db2.gz JQACBXGNVVCELT-QFIPXVFZSA-N 2 0 498.708 5.471 1 0 JKAFRP Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5cc[nH+]cc45)cnc3-c3ccoc3)cc12 ZINC000045347222 563191286 /nfs/dbraw/zinc/19/12/86/563191286.db2.gz MFRVBNSUIBWIRX-FQEVSTJZSA-N 2 0 464.529 5.018 1 0 JKAFRP CCCCCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCCCC)cc2)cc1 ZINC000045350285 563191732 /nfs/dbraw/zinc/19/17/32/563191732.db2.gz MBCDGFHAYUTYQP-UHFFFAOYSA-N 2 0 494.852 9.108 1 0 JKAFRP C[NH+](C)Cc1ccccc1NC(=O)OC[C@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045356882 563192529 /nfs/dbraw/zinc/19/25/29/563192529.db2.gz IRTLDLFAEDDTRD-QHCPKHFHSA-N 2 0 488.613 5.616 1 0 JKAFRP [NH3+]CCCCCCCCC[NH2+]Cc1c2c(nc3ccccc31)-c1cc3ccccc3c(=O)n1C2 ZINC000045389745 563194908 /nfs/dbraw/zinc/19/49/08/563194908.db2.gz CAHJIMYWSKLTDQ-UHFFFAOYSA-N 2 0 454.618 5.357 1 0 JKAFRP Clc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000045391968 563195179 /nfs/dbraw/zinc/19/51/79/563195179.db2.gz AUGSRYPBJRGKTN-HOTGVXAUSA-N 2 0 460.276 6.986 1 0 JKAFRP c1c2ccccc2[nH]c1C[N@@H+](Cc1ccc(C[NH2+]Cc2ccccn2)cc1)[C@@H]1CCCc2cccnc21 ZINC000049070940 563201296 /nfs/dbraw/zinc/20/12/96/563201296.db2.gz IEWXODVRBFFDRL-WJOKGBTCSA-N 2 0 487.651 6.328 1 0 JKAFRP CC(C)C1=C(C[C@@H](C)[C@H]2CC[C@H]3C4=CC[C@H]5[C@@H](O)[C@@H]([NH+](C)C)CC[C@]5(C)[C@H]4CC[C@@]32C)[N+](=O)CC1 ZINC000049877415 563204501 /nfs/dbraw/zinc/20/45/01/563204501.db2.gz QUWDXZBGZWUKTR-CWNRNWKTSA-N 2 0 482.753 6.184 1 0 JKAFRP c1ccc2c(c1)N[C@@H]1CCCCC1=C2[NH2+]CCCCCCCC[NH2+][C@H]1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000169290522 581091184 /nfs/dbraw/zinc/09/11/84/581091184.db2.gz LVRVQELTVCNPQT-ZDSCYBARSA-N 3 0 464.742 6.206 1 0 JKAFRP 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 560051703 /nfs/dbraw/zinc/05/17/03/560051703.db2.gz VDFRKVDBZHAYRF-NNUQZRKVSA-N 2 0 469.758 5.173 1 0 biogenic,in-vitro JKAFRP 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 560058540 /nfs/dbraw/zinc/05/85/40/560058540.db2.gz VDFRKVDBZHAYRF-DCUMCJQPSA-N 2 0 469.758 5.173 1 0 biogenic,in-vitro JKAFRP c1ccc(CCCC2CC[NH+](CCCCCC[NH+]3CCC(CCCc4ccccc4)CC3)CC2)cc1 ZINC000003813661 560189725 /nfs/dbraw/zinc/18/97/25/560189725.db2.gz UMSWWHRTIKEMCJ-UHFFFAOYSA-N 2 0 488.804 8.017 1 0 in-vitro JKAFRP CC[NH+](CC)CCOc1ccc(C(c2ccc(OCC[NH+](CC)CC)cc2)=C2CCCCC2)cc1 ZINC000005809368 562934917 /nfs/dbraw/zinc/93/49/17/562934917.db2.gz IHFCCFRNLYQXMV-UHFFFAOYSA-N 2 0 478.721 6.894 1 0 JKAFRP c1cc2c[n+](c1)CCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCC2 ZINC000013430338 562962308 /nfs/dbraw/zinc/96/23/08/562962308.db2.gz SFFGDTZGTRTGHF-UHFFFAOYSA-N 2 0 478.809 8.472 1 0 JKAFRP CCc1nc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1cccc(-c2cccc(C(N)=[NH2+])c2)c1 ZINC000013441149 562963279 /nfs/dbraw/zinc/96/32/79/562963279.db2.gz RBIWJXSOVFBRMA-UHFFFAOYSA-N 2 0 494.643 5.438 1 0 JKAFRP O=C(Nc1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013475766 562967034 /nfs/dbraw/zinc/96/70/34/562967034.db2.gz QACIWFUOGVFMLP-UHFFFAOYSA-N 2 0 496.699 5.927 1 0 JKAFRP c1ccc(C[NH2+]CCCC[NH2+]CCCCCCC[NH2+]CCCC[NH2+]Cc2ccccc2)cc1 ZINC000013650072 562981112 /nfs/dbraw/zinc/98/11/12/562981112.db2.gz HIUORFPGUXSHPH-UHFFFAOYSA-N 4 0 452.731 5.256 1 0 JKAFRP COc1ccccc1C[NH2+]CCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCC[NH3+] ZINC000013738774 562986591 /nfs/dbraw/zinc/98/65/91/562986591.db2.gz WLJJUNBAYXKOTR-UHFFFAOYSA-N 4 0 462.767 5.384 1 0 JKAFRP C[n+]1ccc(CCCCCCCCCCCCc2cc[n+](C)c3ccccc23)c2ccccc21 ZINC000013745696 562988104 /nfs/dbraw/zinc/98/81/04/562988104.db2.gz QIEMZTYFFISERP-UHFFFAOYSA-N 2 0 454.702 7.328 1 0 JKAFRP c1[nH]c2ccc(-n3cnnc3)cc2c1CCC[NH+]1CCC([N@@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC000013802566 562994508 /nfs/dbraw/zinc/99/45/08/562994508.db2.gz WGWBIIDCWJHIOA-LJAQVGFWSA-N 2 0 468.649 5.373 1 0 JKAFRP OC1(CCCc2ccncc2)CC[NH+](C[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013819416 562997230 /nfs/dbraw/zinc/99/72/30/562997230.db2.gz KEFFMDUPEITWQA-XZWHSSHBSA-N 2 0 475.721 5.527 1 0 JKAFRP C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCCN1c2ccccc2O[C@@H](c2cccc(C(N)=[NH2+])c2)C1=O ZINC000013834511 563001086 /nfs/dbraw/zinc/00/10/86/563001086.db2.gz QDMSHMPLJZNLCK-UZINWLIJSA-N 2 0 462.638 5.261 1 0 JKAFRP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@H+]3C)c2)c1 ZINC000013859945 563001776 /nfs/dbraw/zinc/00/17/76/563001776.db2.gz DBISFANLRPNEFE-ACHIHNKUSA-N 4 0 492.796 6.396 1 0 JKAFRP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@H+]3C)c2)c1 ZINC000013859943 563001852 /nfs/dbraw/zinc/00/18/52/563001852.db2.gz QUKVKOJRMAZZNV-KYJUHHDHSA-N 4 0 464.742 5.616 1 0 JKAFRP Cc1cc2cc(Nc3ccnc4cc(-c5ccc(C[NH2+]CCN6CC[NH2+]CC6)cc5)sc43)ccc2[nH]1 ZINC000022932310 563018579 /nfs/dbraw/zinc/01/85/79/563018579.db2.gz MEAHQSFATRAJHG-UHFFFAOYSA-N 2 0 496.684 5.491 1 0 JKAFRP COC(=O)N(CC1CCCC1)C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 ZINC000026655596 563032363 /nfs/dbraw/zinc/03/23/63/563032363.db2.gz GDFLQYPZLFZIII-MFMCTBQISA-N 2 0 489.704 5.625 1 0 JKAFRP COC(=O)c1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000026665072 563032901 /nfs/dbraw/zinc/03/29/01/563032901.db2.gz QVUSLFAVRYPDRJ-XZWHSSHBSA-N 2 0 468.641 5.568 1 0 JKAFRP [NH3+]CCCCCC[NH2+]Cc1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2C2CC[NH2+]CC2)cc1 ZINC000026972388 563038380 /nfs/dbraw/zinc/03/83/80/563038380.db2.gz YKVZNBNWQZZUJD-UHFFFAOYSA-N 3 0 488.507 5.467 1 0 JKAFRP C[C@@H]1CCC[C@@H](C)[NH+]1CCCCCCN1c2ccccc2O[C@H](c2cccc(C(N)=[NH2+])c2)C1=O ZINC000027326061 563042952 /nfs/dbraw/zinc/04/29/52/563042952.db2.gz QDMSHMPLJZNLCK-IPVFLDMMSA-N 2 0 462.638 5.261 1 0 JKAFRP CC[NH+](CC)CCCCCCCCCCCCNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000027555184 563046371 /nfs/dbraw/zinc/04/63/71/563046371.db2.gz INVNZZWPEUYPPP-UHFFFAOYSA-N 2 0 451.621 7.908 1 0 JKAFRP [NH3+]CCC[NH+](Cc1ccc(OCc2ccccc2)cc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000027708969 563049652 /nfs/dbraw/zinc/04/96/52/563049652.db2.gz LZJSMSKBOQXFEQ-UHFFFAOYSA-N 2 0 466.625 6.196 1 0 JKAFRP CCCc1nc2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028018959 563055134 /nfs/dbraw/zinc/05/51/34/563055134.db2.gz WDTMGYFXSKDXFB-UHFFFAOYSA-N 2 0 482.632 5.315 1 0 JKAFRP CCCc1nc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028086991 563055499 /nfs/dbraw/zinc/05/54/99/563055499.db2.gz IPDYXCBKGJWHOF-UHFFFAOYSA-N 2 0 482.632 5.315 1 0 JKAFRP CC[C@@H](C)c1nc2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028093296 563055768 /nfs/dbraw/zinc/05/57/68/563055768.db2.gz YRGZLJWUMMQQED-LJQANCHMSA-N 2 0 496.659 5.876 1 0 JKAFRP CC(=[NH2+])N1CCC(Oc2ccc3c(c2)nc(C(C)(C)C)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000028096686 563055879 /nfs/dbraw/zinc/05/58/79/563055879.db2.gz DYQGLHRGCMDZOQ-UHFFFAOYSA-N 2 0 496.659 5.660 1 0 JKAFRP c1sc[n+](CCCCCCCCCCCC[n+]2cscc2-c2ccccc2)c1-c1ccccc1 ZINC000028521366 563066452 /nfs/dbraw/zinc/06/64/52/563066452.db2.gz MQMWSGMOGXPKIJ-UHFFFAOYSA-N 2 0 490.782 8.320 1 0 JKAFRP COc1ccccc1CC[NH2+]C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028522330 563066511 /nfs/dbraw/zinc/06/65/11/563066511.db2.gz VFCMCYWFSLNPDX-LJAQVGFWSA-N 2 0 477.737 5.816 1 0 JKAFRP FC(F)(F)c1ccc(CC[NH2+]C[C@@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523794 563066967 /nfs/dbraw/zinc/06/69/67/563066967.db2.gz FSYTXZOPGGGBCA-SANMLTNESA-N 2 0 459.600 5.529 1 0 JKAFRP FC(F)(F)c1ccc(CC[NH2+]C[C@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523793 563066997 /nfs/dbraw/zinc/06/69/97/563066997.db2.gz FSYTXZOPGGGBCA-AREMUKBSSA-N 2 0 459.600 5.529 1 0 JKAFRP c1cc2c[n+](c1)CCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCCC2 ZINC000028642861 563073110 /nfs/dbraw/zinc/07/31/10/563073110.db2.gz XGAOHASTBLHHTC-UHFFFAOYSA-N 2 0 492.836 8.862 1 0 JKAFRP [NH2+]=C(NCC1CCCCC1)c1ccc(-c2ccc(-c3ccc(C(=[NH2+])NCC4CCCCC4)cc3)o2)cc1 ZINC000028754722 563077635 /nfs/dbraw/zinc/07/76/35/563077635.db2.gz UFQUPOWXHAFUNK-UHFFFAOYSA-N 2 0 496.699 7.604 1 0 JKAFRP CCOc1ccc(Nc2nc3cc(Cl)ccc3c(NCC[NH+](CC)CC)n2)cc1C[NH+]1CCCC1 ZINC000028771597 563079191 /nfs/dbraw/zinc/07/91/91/563079191.db2.gz XGYKJWXSQMVTGK-UHFFFAOYSA-N 2 0 497.087 5.775 1 0 JKAFRP CSc1ccc([C@@H]2C[N@H+](C)Cc3cccc(Oc4ccnc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827070 563082665 /nfs/dbraw/zinc/08/26/65/563082665.db2.gz AHDIGRGVUXUPBL-SANMLTNESA-N 2 0 459.659 6.159 1 0 JKAFRP CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4ccnc(C[NH+]5CCCCC5)c4)ccc32)cc1 ZINC000028827069 563082685 /nfs/dbraw/zinc/08/26/85/563082685.db2.gz JIAHUHYIBFOBFK-MUUNZHRXSA-N 2 0 459.659 6.159 1 0 JKAFRP CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4cccc(C[NH+]5CCCCC5)n4)ccc32)cc1 ZINC000028827062 563082757 /nfs/dbraw/zinc/08/27/57/563082757.db2.gz UGDRNJYUOIZTTP-MHZLTWQESA-N 2 0 459.659 6.159 1 0 JKAFRP CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)cn4)ccc32)cc1 ZINC000028827083 563082912 /nfs/dbraw/zinc/08/29/12/563082912.db2.gz UCIGGFFPBMFKPO-HHHXNRCGSA-N 2 0 459.659 6.159 1 0 JKAFRP FC(F)(F)c1ccc([C@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885751 563084907 /nfs/dbraw/zinc/08/49/07/563084907.db2.gz TXSBAVHEFNFOJQ-CLJLJLNGSA-N 2 0 458.568 6.243 1 0 JKAFRP FC(F)(F)c1cccc([C@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1 ZINC000028885825 563084921 /nfs/dbraw/zinc/08/49/21/563084921.db2.gz VKNVUSIACZZCCO-CLJLJLNGSA-N 2 0 458.568 6.243 1 0 JKAFRP FC(F)(F)c1cccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1 ZINC000028885818 563084943 /nfs/dbraw/zinc/08/49/43/563084943.db2.gz VKNVUSIACZZCCO-IZZNHLLZSA-N 2 0 458.568 6.243 1 0 JKAFRP C[N@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000028893066 563085262 /nfs/dbraw/zinc/08/52/62/563085262.db2.gz UWWLHNUJLKTVOD-QFIPXVFZSA-N 2 0 451.413 5.774 1 0 JKAFRP C[N@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000028893070 563085287 /nfs/dbraw/zinc/08/52/87/563085287.db2.gz UWWLHNUJLKTVOD-JOCHJYFZSA-N 2 0 451.413 5.774 1 0 JKAFRP CCCCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCCC)cc2)cc1 ZINC000029124080 563094342 /nfs/dbraw/zinc/09/43/42/563094342.db2.gz YSPCHJBEBWYFGJ-UHFFFAOYSA-N 2 0 466.798 8.328 1 0 JKAFRP Clc1ccc([NH+]=c2ccn(CCCCCn3ccc(=[NH+]c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029229094 563099017 /nfs/dbraw/zinc/09/90/17/563099017.db2.gz GUSYYOQMHQNUSZ-UHFFFAOYSA-N 2 0 477.439 6.932 1 0 JKAFRP CCCC[C@@H](CC)C[NH+]=c1ccn(CCCCn2ccc(=[NH+]C[C@@H](CC)CCCC)cc2)cc1 ZINC000029237419 563099236 /nfs/dbraw/zinc/09/92/36/563099236.db2.gz RXSINCLOGMRLIF-HNRBIFIRSA-N 2 0 466.758 7.004 1 0 JKAFRP CC[NH+](CC)CCCCOc1ccc2c(c1)C(=O)c1cc(OCCCC[NH+](CC)CC)ccc1-2 ZINC000031847371 563108578 /nfs/dbraw/zinc/10/85/78/563108578.db2.gz XXFWXNNCYFKOTB-UHFFFAOYSA-N 2 0 466.666 5.900 1 0 JKAFRP CCc1c(CC[NH2+]CCCCCC[NH2+]CCc2ccc(OC)c(OC)c2C)ccc(OC)c1OC ZINC000034276383 563112941 /nfs/dbraw/zinc/11/29/41/563112941.db2.gz JUISIOMYDAIWQV-UHFFFAOYSA-N 2 0 486.697 5.117 1 0 JKAFRP c1cc(OCCC[NH+]2CCCCC2)ccc1Cc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000034776551 563115001 /nfs/dbraw/zinc/11/50/01/563115001.db2.gz DJQPPCKJISCIND-UHFFFAOYSA-N 2 0 450.667 5.787 1 0 JKAFRP CCn1c2ccc(CCCC[NH+]3CCCCC3)cc2c2cc(CCCC[NH+]3CCCCC3)ccc21 ZINC000039208129 563136377 /nfs/dbraw/zinc/13/63/77/563136377.db2.gz IICYCVKQTVHWCY-UHFFFAOYSA-N 2 0 473.749 7.432 1 0 JKAFRP CC(C)[NH+](CCOc1ccc2oc3ccc(OCC[NH+](C(C)C)C(C)C)cc3c2c1)C(C)C ZINC000039208131 563136390 /nfs/dbraw/zinc/13/63/90/563136390.db2.gz NPZGUJXAJWYWTC-UHFFFAOYSA-N 2 0 454.655 6.581 1 0 JKAFRP O=[N+]([O-])OCCCCCC[NH2+]CCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000040391163 563137774 /nfs/dbraw/zinc/13/77/74/563137774.db2.gz YLCSZNBZZQPVCZ-UHFFFAOYSA-N 2 0 470.658 6.224 1 0 JKAFRP C[NH+](C)C12C[C@H](c3ccc(Br)cc3)C([NH2+]CC1)[C@@H](c1ccc(Br)cc1)C2 ZINC000040412271 563140972 /nfs/dbraw/zinc/14/09/72/563140972.db2.gz KCMUVFXFJMZPSV-JTVPBKEVSA-N 2 0 478.272 5.535 1 0 JKAFRP Clc1ccc([C@H]2CC3([NH+]4CCCC4)C[C@H](c4ccc(Cl)c(Cl)c4)C2[NH2+]CC3)cc1Cl ZINC000040423060 563142142 /nfs/dbraw/zinc/14/21/42/563142142.db2.gz OEHORYKXLYYSMM-RDNZODCXSA-N 2 0 484.298 7.158 1 0 JKAFRP [NH3+]CCN1CCC2([NH+]3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040422988 563142153 /nfs/dbraw/zinc/14/21/53/563142153.db2.gz ZVSSJYBDRIRLFM-ZCCOPBOASA-N 2 0 458.477 5.522 1 0 JKAFRP C[NH+](C)CCCOc1ccc(-c2cncc(-c3cc4cc(O)ccc4n3CCC[NH+](C)C)c2)cc1 ZINC000040846096 563149169 /nfs/dbraw/zinc/14/91/69/563149169.db2.gz DXMKALRYQZBZIA-UHFFFAOYSA-N 2 0 472.633 5.358 1 0 JKAFRP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H]([NH2+]CCCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040866986 563151333 /nfs/dbraw/zinc/15/13/33/563151333.db2.gz LTLYCWKTAIEZCJ-RWFZIKKDSA-N 2 0 470.830 8.115 1 0 JKAFRP CCCC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@@H]3CCCc4ccc(Cl)cc43)CC2)C1=O ZINC000040900872 563154719 /nfs/dbraw/zinc/15/47/19/563154719.db2.gz BEBLFDYTZHKBFQ-HHHXNRCGSA-N 2 0 495.111 5.248 1 0 JKAFRP O=C(CC[NH+]1CCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040918280 563156191 /nfs/dbraw/zinc/15/61/91/563156191.db2.gz GDUDWWBGVVFORO-GJTYJFQVSA-N 2 0 486.700 5.990 1 0 JKAFRP FC(F)(F)c1ccc2c(N[C@H](c3ccc(Cl)cc3)c3ccc(C[NH+]4CCCC4)cc3)cc[nH+]c2c1 ZINC000040975905 563161940 /nfs/dbraw/zinc/16/19/40/563161940.db2.gz SDRGJPGAQJVMNX-MHZLTWQESA-N 2 0 495.976 7.704 1 0 JKAFRP CC(C)NC(=[NH2+])c1cccc(OCc2ccc(COc3cccc(C(=[NH2+])NC(C)C)c3)cc2)c1 ZINC000043013971 563164354 /nfs/dbraw/zinc/16/43/54/563164354.db2.gz KNLTXSRILRPFEO-UHFFFAOYSA-N 2 0 458.606 5.491 1 0 JKAFRP NC(=[NH2+])c1ccc2cc(CCc3ccc(C[NH+]4CCCC4)cc3)cc(Nc3ncccn3)c2c1 ZINC000043078193 563166919 /nfs/dbraw/zinc/16/69/19/563166919.db2.gz RYWKOMCGGKLDEK-UHFFFAOYSA-N 2 0 450.590 5.038 1 0 JKAFRP C[NH2+][C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@@H]4[NH2+]CCC4=C(C)C)C3=CC[C@H]2[C@H]1OC(C)=O ZINC000044406217 563172614 /nfs/dbraw/zinc/17/26/14/563172614.db2.gz WYIXBFLRDRBIKC-KFKWGXQOSA-N 2 0 496.780 6.420 1 0 JKAFRP C[NH2+][C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@H]4[NH2+]CCC4=C(C)C)C3=CC[C@H]2[C@H]1OC(C)=O ZINC000044406212 563172630 /nfs/dbraw/zinc/17/26/30/563172630.db2.gz WYIXBFLRDRBIKC-GMNQIODISA-N 2 0 496.780 6.420 1 0 JKAFRP COc1ccc(CC[NH2+]CCCCCC[NH2+]CCc2ccc(Cl)c3ccccc23)cc1OC ZINC000045190473 563175586 /nfs/dbraw/zinc/17/55/86/563175586.db2.gz QDSGXOSOZJHBMY-UHFFFAOYSA-N 2 0 469.069 6.035 1 0 JKAFRP COc1ccc(CC[NH2+]CCCCCC[NH2+]CCc2ccc(-c3ccccc3)cc2)cc1OC ZINC000045191037 563175798 /nfs/dbraw/zinc/17/57/98/563175798.db2.gz PLVDGMQOIXSYDE-UHFFFAOYSA-N 2 0 460.662 5.896 1 0 JKAFRP C[NH2+]Cc1ccc(-c2cccc(C[NH2+]Cc3ccc(-c4ccccc4)cc3)c2)c(C(=O)OC)c1 ZINC000045194473 563177180 /nfs/dbraw/zinc/17/71/80/563177180.db2.gz LJLCFNPRZMICKJ-UHFFFAOYSA-N 2 0 450.582 5.816 1 0 JKAFRP c1ccc(CN2CCC([NH2+]Cc3ccccc3-c3cccc(C[NH2+]C4CCCC4)c3)CC2)cc1 ZINC000045202030 563178580 /nfs/dbraw/zinc/17/85/80/563178580.db2.gz BDIHULCZZJDTRC-UHFFFAOYSA-N 2 0 453.674 6.140 1 0 JKAFRP c1[nH]c2cnccc2c1C[NH+]1CCC2(CC1)C[N@H+](Cc1cc3ccccc3[nH]1)Cc1ccccc1O2 ZINC000045211399 563179653 /nfs/dbraw/zinc/17/96/53/563179653.db2.gz PKRZFCGIRUPBIV-UHFFFAOYSA-N 2 0 477.612 5.474 1 0 JKAFRP CC(C)CC(=O)N(Cc1ccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)cc1)C1CC[NH2+]CC1 ZINC000045229732 563181008 /nfs/dbraw/zinc/18/10/08/563181008.db2.gz VDNQKLFSHYIXQT-UHFFFAOYSA-N 2 0 495.711 5.737 1 0 JKAFRP Clc1ccc2c(c1)nccc2NCCC[NH2+]CCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000045283725 563183439 /nfs/dbraw/zinc/18/34/39/563183439.db2.gz IHKKZTJFXOGDFY-UHFFFAOYSA-N 2 0 487.091 6.762 1 0 JKAFRP c1ccc([C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2N(CC[NH+]2CCCC2)CC3)cc1 ZINC000045318136 563187683 /nfs/dbraw/zinc/18/76/83/563187683.db2.gz YEVODQQXWVKPAP-YVGDEESBSA-N 2 0 457.706 5.743 1 0 JKAFRP C[C@@H](Cc1ccc(NC(=O)[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045322753 563188674 /nfs/dbraw/zinc/18/86/74/563188674.db2.gz YWOZOGCMFIUNSD-SFTDATJTSA-N 2 0 498.498 5.916 1 0 JKAFRP C[NH+](C)CCCN1CC[NH+](Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)CC1 ZINC000045322763 563188690 /nfs/dbraw/zinc/18/86/90/563188690.db2.gz DSCBIGBMCOLIHM-UHFFFAOYSA-N 2 0 459.663 5.028 1 0 JKAFRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4cccc(-c5nc6cc(F)ccc6[nH]5)c4)cc3)CC2)C1 ZINC000045324510 563189296 /nfs/dbraw/zinc/18/92/96/563189296.db2.gz WOYKSHGQBKORJV-XMMPIXPASA-N 2 0 497.662 5.495 1 0 JKAFRP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4csc(-c5nc6ccccc6[nH]5)c4)c3)CC2)C1 ZINC000045355917 563192300 /nfs/dbraw/zinc/19/23/00/563192300.db2.gz FIKJWVAKCOLNCB-QHCPKHFHSA-N 2 0 485.701 5.418 1 0 JKAFRP C[NH+]1CCC([C@H](c2ccccc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000045356055 563192429 /nfs/dbraw/zinc/19/24/29/563192429.db2.gz KGQXWNGARPKIIX-YTTGMZPUSA-N 2 0 481.684 5.436 1 0 JKAFRP CCCCCc1ccc[n+](CCCCCCCCCCCC[n+]2cccc(CCCCC)c2)c1 ZINC000045358078 563192680 /nfs/dbraw/zinc/19/26/80/563192680.db2.gz ZQNHCTONQUUHKT-UHFFFAOYSA-N 2 0 466.798 8.328 1 0 JKAFRP NC(=[NH2+])c1cc2c(cc(F)cc2O[C@H](COC(=O)Nc2ccccc2C[NH3+])c2ccccc2)s1 ZINC000045367944 563193334 /nfs/dbraw/zinc/19/33/34/563193334.db2.gz DDPUNJKAKZZDPA-OAQYLSRUSA-N 2 0 478.549 5.152 1 0 JKAFRP NC(=[NH2+])c1cc2c(cccc2O[C@@H](COC(=O)Nc2ccccc2C[NH3+])c2ccccc2)s1 ZINC000045368423 563193429 /nfs/dbraw/zinc/19/34/29/563193429.db2.gz FAKOUAJYWRNFEF-NRFANRHFSA-N 2 0 460.559 5.013 1 0 JKAFRP CC[C@H](C)c1nc2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000052640720 563204849 /nfs/dbraw/zinc/20/48/49/563204849.db2.gz YRGZLJWUMMQQED-IBGZPJMESA-N 2 0 496.659 5.876 1 0 JKAFRP FC(F)(F)c1ccc([C@@H]2C[N@@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000058509666 563206783 /nfs/dbraw/zinc/20/67/83/563206783.db2.gz TXSBAVHEFNFOJQ-UIOOFZCWSA-N 2 0 458.568 6.243 1 0 JKAFRP C[C@H]1[NH2+][C@H]2CC[C@H]1OC(=O)CCCCCCC[C@@H]1CC[C@H](OC(=O)CCCCCCC2)[C@H](C)[NH2+]1 ZINC000100773127 571817650 /nfs/dbraw/zinc/81/76/50/571817650.db2.gz AMSCMASJCYVAIF-CNGGBCMRSA-N 2 0 478.718 5.566 1 0 endogenous,in-man JKAFRP C[C@H]1[NH2+][C@H]2CC[C@H]1OC(=O)CCCCCCC[C@@H]1CC[C@H](OC(=O)CCCCCCC2)[C@@H](C)[NH2+]1 ZINC000100773128 571817659 /nfs/dbraw/zinc/81/76/59/571817659.db2.gz AMSCMASJCYVAIF-JVIQZWCRSA-N 2 0 478.718 5.566 1 0 endogenous,in-man JKAFRP O=C(Nc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000000602669 562918555 /nfs/dbraw/zinc/91/85/55/562918555.db2.gz WQBJUUITOQERMR-UHFFFAOYSA-N 2 0 496.699 5.927 1 0 JKAFRP NC(=[NH2+])c1cccc(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)c1 ZINC000003815602 562928887 /nfs/dbraw/zinc/92/88/87/562928887.db2.gz CCLMTIURLCLNKY-UHFFFAOYSA-N 2 0 483.575 6.356 1 0 JKAFRP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003939077 562930223 /nfs/dbraw/zinc/93/02/23/562930223.db2.gz YVDOMSWADMLYIM-PZSQHWECSA-N 2 0 458.819 7.805 1 0 JKAFRP C[N@H+](CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000006744683 562938253 /nfs/dbraw/zinc/93/82/53/562938253.db2.gz YIFIESCJSCAHBP-UHFFFAOYSA-N 2 0 497.687 5.468 1 0 JKAFRP 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 562961220 /nfs/dbraw/zinc/96/12/20/562961220.db2.gz JRVWIILYWSBUMC-NDKONCKKSA-N 2 0 475.633 5.113 3 0 JKAFRP C[C@@H]([NH3+])[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC[C@H](O)[C@@H](C)[NH3+] ZINC000013439017 562962639 /nfs/dbraw/zinc/96/26/39/562962639.db2.gz CXFKWMQQNSTRAS-WGELTRNKSA-N 2 0 472.758 6.421 1 0 JKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCC1 ZINC000013472679 562965999 /nfs/dbraw/zinc/96/59/99/562965999.db2.gz BLTJGVWWJCNJJL-UHFFFAOYSA-N 2 0 471.689 6.803 1 0 JKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCC1 ZINC000013472677 562966015 /nfs/dbraw/zinc/96/60/15/562966015.db2.gz RUKMQESGYBPCTL-UHFFFAOYSA-N 2 0 457.662 6.413 1 0 JKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCCNc2c3c([nH+]c4ccccc42)CCC3)CCC1 ZINC000013473788 562966338 /nfs/dbraw/zinc/96/63/38/562966338.db2.gz KBQNIGWBLLTLRQ-UHFFFAOYSA-N 2 0 478.684 7.625 1 0 JKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNc2c3c([nH+]c4ccccc42)CCC3)CCC1 ZINC000013473787 562966341 /nfs/dbraw/zinc/96/63/41/562966341.db2.gz CJYZVXNYXSEUCW-UHFFFAOYSA-N 2 0 464.657 7.235 1 0 JKAFRP CN(c1ccccc1)c1cc[n+](Cc2ccc(C[n+]3ccc(N(C)c4ccccc4)cc3)cc2)cc1 ZINC000013584353 562976198 /nfs/dbraw/zinc/97/61/98/562976198.db2.gz JIMCDOYFCCMFLE-UHFFFAOYSA-N 2 0 472.636 5.894 1 0 JKAFRP CCCCCC=C(c1ccc(OCC[NH+](CC)CC)cc1)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000013605647 562978773 /nfs/dbraw/zinc/97/87/73/562978773.db2.gz FQWWLOCOTXOAAZ-UHFFFAOYSA-N 2 0 480.737 7.140 1 0 JKAFRP O=C(NC1CC[NH+](Cc2cccc(Oc3ccccc3Cl)c2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000013686247 562984459 /nfs/dbraw/zinc/98/44/59/562984459.db2.gz XZSLPXJGQLDVET-GDLZYMKVSA-N 2 0 490.047 5.144 1 0 JKAFRP C[n+]1c(CCCCCCCCCCCCc2ccc3ccccc3[n+]2C)ccc2ccccc21 ZINC000013740392 562986705 /nfs/dbraw/zinc/98/67/05/562986705.db2.gz VPXXFKZQEIZPQT-UHFFFAOYSA-N 2 0 454.702 7.328 1 0 JKAFRP C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCCN1c2ccccc2O[C@H](c2cccc(C(N)=[NH2+])c2)C1=O ZINC000013834510 563001025 /nfs/dbraw/zinc/00/10/25/563001025.db2.gz 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6.205 1 0 JKAFRP CCCC[NH+](CCCC)CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000027638038 563047902 /nfs/dbraw/zinc/04/79/02/563047902.db2.gz FVWVRVNTEAFOPI-UHFFFAOYSA-N 2 0 474.137 5.600 1 0 JKAFRP C[C@H]([NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000027642315 563048140 /nfs/dbraw/zinc/04/81/40/563048140.db2.gz NYPWBGDKIJWOGZ-SVBPBHIXSA-N 4 0 452.731 5.598 1 0 JKAFRP C[C@H](CC[NH2+]CCCCCCC[NH2+]CC[C@H](C)[NH2+]Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000027645122 563048298 /nfs/dbraw/zinc/04/82/98/563048298.db2.gz FUXYCKVJIZSGRO-MKPDMIMOSA-N 4 0 452.731 5.253 1 0 JKAFRP CCc1ccc(C[NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+]Cc2ccc(CC)cc2)cc1 ZINC000027652403 563048694 /nfs/dbraw/zinc/04/86/94/563048694.db2.gz JUVRKZWWWWZJOV-UHFFFAOYSA-N 4 0 480.785 5.601 1 0 JKAFRP NC(=[NH2+])c1ccc(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)cc1 ZINC000028090086 563055598 /nfs/dbraw/zinc/05/55/98/563055598.db2.gz NEVMDYGUHHBCRG-UHFFFAOYSA-N 2 0 483.575 6.356 1 0 JKAFRP CCCCc1nc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028105351 563056243 /nfs/dbraw/zinc/05/62/43/563056243.db2.gz KFGFAIRWDMAAQY-UHFFFAOYSA-N 2 0 496.659 5.705 1 0 JKAFRP CN(C)c1ccc(CC[NH2+]C[C@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028477915 563066123 /nfs/dbraw/zinc/06/61/23/563066123.db2.gz VKFKASXHWNMPCH-WJOKGBTCSA-N 2 0 490.780 5.874 1 0 JKAFRP COc1ccc([C@@H](C[NH2+]CCc2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523126 563066702 /nfs/dbraw/zinc/06/67/02/563066702.db2.gz NRNLTIJPSVVKQO-HHHXNRCGSA-N 2 0 489.626 5.538 1 0 JKAFRP COc1ccc([C@@H](C[NH2+]CCc2cc(Cl)cc(Cl)c2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523972 563067081 /nfs/dbraw/zinc/06/70/81/563067081.db2.gz IVBOWJNCCCSGMB-HHHXNRCGSA-N 2 0 490.519 5.826 1 0 JKAFRP Cc1ccc([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CC[NH+](C)CC2)cc1 ZINC000028646216 563073329 /nfs/dbraw/zinc/07/33/29/563073329.db2.gz XZBKLRRYJOUOQG-YTTGMZPUSA-N 2 0 484.732 5.077 1 0 JKAFRP 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CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)cc4)ccc32)cc1 ZINC000028827078 563082868 /nfs/dbraw/zinc/08/28/68/563082868.db2.gz XCHACIZNQYTKBT-LJAQVGFWSA-N 2 0 458.671 6.764 1 0 JKAFRP CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)nc4)ccc32)cc1 ZINC000028827080 563082874 /nfs/dbraw/zinc/08/28/74/563082874.db2.gz VLEAGNJHWYVHPR-NDEPHWFRSA-N 2 0 459.659 6.159 1 0 JKAFRP CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCC(F)CC5)cn4)ccc32)cc1 ZINC000028827087 563082907 /nfs/dbraw/zinc/08/29/07/563082907.db2.gz KWIGMVZMURUWHZ-HHHXNRCGSA-N 2 0 477.649 6.107 1 0 JKAFRP CC(C)NC(=[NH2+])c1ccc2cc(CCCCc3cc4ccc(C(=[NH2+])NC(C)C)cc4o3)oc2c1 ZINC000028870131 563084053 /nfs/dbraw/zinc/08/40/53/563084053.db2.gz UFDDHKYOCXDAKT-UHFFFAOYSA-N 2 0 458.606 6.391 1 0 JKAFRP FC(F)(F)c1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885745 563084919 /nfs/dbraw/zinc/08/49/19/563084919.db2.gz TXSBAVHEFNFOJQ-IZZNHLLZSA-N 2 0 458.568 6.243 1 0 JKAFRP C[N@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000028893108 563085267 /nfs/dbraw/zinc/08/52/67/563085267.db2.gz NZPOPKFDIKJIRC-DEOSSOPVSA-N 2 0 450.520 5.486 1 0 JKAFRP C[N@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000028893098 563085279 /nfs/dbraw/zinc/08/52/79/563085279.db2.gz OCBPATCVPDEFSN-DEOSSOPVSA-N 2 0 450.520 5.486 1 0 JKAFRP C[NH+](C)CC[C@H](Oc1ccc(Br)cc1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000028892961 563085291 /nfs/dbraw/zinc/08/52/91/563085291.db2.gz OYCZRPQRIZGOTB-VWLOTQADSA-N 2 0 475.471 5.776 1 0 JKAFRP C[N@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2ccc(SC(F)(F)F)cc2)C1 ZINC000028893158 563085389 /nfs/dbraw/zinc/08/53/89/563085389.db2.gz FYQWSOGFMUPHGU-XMMPIXPASA-N 2 0 482.587 6.079 1 0 JKAFRP COc1cc(C[N@H+](CCNc2ccnc3cc(Cl)ccc32)C(C)C)c(OC)c2ccccc12 ZINC000029134947 563098001 /nfs/dbraw/zinc/09/80/01/563098001.db2.gz ZOTAZHDSXJLRQN-UHFFFAOYSA-N 2 0 464.009 6.381 1 0 JKAFRP COc1cc(C[N@H+](CCNc2ccnc3cc(Cl)ccc32)CC(C)C)c(OC)c2ccccc12 ZINC000029134779 563098031 /nfs/dbraw/zinc/09/80/31/563098031.db2.gz WJSWMCSBBCRPBP-UHFFFAOYSA-N 2 0 478.036 6.629 1 0 JKAFRP Clc1ccc([NH+]=c2ccn(CCCCn3ccc(=[NH+]c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029229677 563099058 /nfs/dbraw/zinc/09/90/58/563099058.db2.gz VRUYLHUYCNZMCL-UHFFFAOYSA-N 2 0 463.412 6.542 1 0 JKAFRP c1cn(CCCCCCCCCn2ccc(=[NH+]C3CCCCC3)cc2)ccc1=[NH+]C1CCCCC1 ZINC000029237949 563099233 /nfs/dbraw/zinc/09/92/33/563099233.db2.gz NGEFOIQEKOFEHT-UHFFFAOYSA-N 2 0 476.753 7.187 1 0 JKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(-c4nc5cc(C(=[NH2+])NC(C)C)ccc5[nH]4)cc3)nc2c1 ZINC000029467492 563104212 /nfs/dbraw/zinc/10/42/12/563104212.db2.gz ASKCGDWGYGTZBM-UHFFFAOYSA-N 2 0 478.604 5.420 1 0 JKAFRP [NH2+]=C(Nc1ccc(-c2ccc(-c3ccc(NC(=[NH2+])C4CCCCC4)cc3)o2)cc1)C1CCCCC1 ZINC000029472305 563104668 /nfs/dbraw/zinc/10/46/68/563104668.db2.gz XCWIXLCEPKDDFG-UHFFFAOYSA-N 2 0 468.645 8.553 1 0 JKAFRP c1ccc(CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccn3)cc2)[C@H]2CCCc3cccnc32)nc1 ZINC000033974909 563111467 /nfs/dbraw/zinc/11/14/67/563111467.db2.gz MXYQOQASCBNUDZ-LJAQVGFWSA-N 2 0 463.629 5.284 1 0 JKAFRP C[NH+]1CCN(c2cc[nH+]c3ccc(NC(=O)Cc4ccc(Br)c5ccccc45)cc32)CC1 ZINC000034025561 563111740 /nfs/dbraw/zinc/11/17/40/563111740.db2.gz CVZFXSVXUCBHLC-UHFFFAOYSA-N 2 0 489.417 5.084 1 0 JKAFRP c1ccc(-c2ccccc2C[NH2+]CCCC[NH2+]CCC[NH2+]Cc2ccccc2-c2ccccc2)cc1 ZINC000034893607 563117428 /nfs/dbraw/zinc/11/74/28/563117428.db2.gz ALKXUYQCHHFGGE-UHFFFAOYSA-N 3 0 477.696 6.660 1 0 JKAFRP CC[NH+](CC)CCSc1ccc(-c2cc(-c3ccc(SCC[NH+](CC)CC)cc3)ncn2)cc1 ZINC000036476175 563130370 /nfs/dbraw/zinc/13/03/70/563130370.db2.gz WEPFESDTXRGXBM-UHFFFAOYSA-N 2 0 494.774 6.678 1 0 JKAFRP CC(C)[NH+](CCC(CC[NH+](C(C)C)C(C)C)(C(N)=O)c1c(Cl)cccc1Cl)C(C)C ZINC000039254121 563136553 /nfs/dbraw/zinc/13/65/53/563136553.db2.gz QJEXBGRNTMWDDF-UHFFFAOYSA-N 2 0 458.518 5.734 1 0 JKAFRP CC[NH+](CC)CCC(=O)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040402414 563139669 /nfs/dbraw/zinc/13/96/69/563139669.db2.gz VAJLSKSKXPFNCK-ABQAWVCCSA-N 2 0 474.689 5.846 1 0 JKAFRP C[NH+](C)C12C[C@H](c3ccc(C(F)(F)F)cc3)C([NH2+]CC1)[C@@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000040410750 563140718 /nfs/dbraw/zinc/14/07/18/563140718.db2.gz QKGJLIUAQXCLNM-JTVPBKEVSA-N 2 0 456.474 6.048 1 0 JKAFRP C[NH+](C)C12C[C@@H](c3ccc(Br)cc3)C([NH2+]CC1)[C@H](c1ccc(Br)cc1)C2 ZINC000040412265 563140975 /nfs/dbraw/zinc/14/09/75/563140975.db2.gz KCMUVFXFJMZPSV-PHZLKFDYSA-N 2 0 478.272 5.535 1 0 JKAFRP CC(C)[NH+](CCC(CC[NH+](C(C)C)C(C)C)(C(N)=O)c1cccc(C(F)(F)F)c1)C(C)C ZINC000040465327 563144104 /nfs/dbraw/zinc/14/41/04/563144104.db2.gz AUFPUKNXCRVACD-UHFFFAOYSA-N 2 0 457.625 5.446 1 0 JKAFRP CCCC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@@H]3CCCc4c(Cl)cccc43)CC2)C1=O ZINC000040892427 563153368 /nfs/dbraw/zinc/15/33/68/563153368.db2.gz ZMEBBPWUVGTYBO-HHHXNRCGSA-N 2 0 495.111 5.248 1 0 JKAFRP CCCC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@@H]3CCC(C)(C)c4ccccc43)CC2)C1=O ZINC000040897620 563154155 /nfs/dbraw/zinc/15/41/55/563154155.db2.gz ZBXWZLGBCKBMLA-MUUNZHRXSA-N 2 0 488.720 5.330 1 0 JKAFRP CCCC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@H]3CCCc4ccc(Cl)cc43)CC2)C1=O ZINC000040900875 563154717 /nfs/dbraw/zinc/15/47/17/563154717.db2.gz BEBLFDYTZHKBFQ-MHZLTWQESA-N 2 0 495.111 5.248 1 0 JKAFRP O=C(CC[NH+]1CCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040918279 563156169 /nfs/dbraw/zinc/15/61/69/563156169.db2.gz GDUDWWBGVVFORO-ZIQMFUFLSA-N 2 0 486.700 5.990 1 0 JKAFRP COc1cc2c(cc1NCC[NH+]1CCCCC1)[nH+]cc(C(N)=O)c2Nc1cccc(Cl)c1Cl ZINC000040936700 563158141 /nfs/dbraw/zinc/15/81/41/563158141.db2.gz NNDMHMSQYKEBHL-UHFFFAOYSA-N 2 0 488.419 5.291 1 0 JKAFRP 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 ZINC000042851406 563162907 /nfs/dbraw/zinc/16/29/07/563162907.db2.gz DDLNRLXMPCNPAF-STHLYLOOSA-N 2 0 455.731 5.080 1 0 JKAFRP C[NH+](C)C12C[C@@H](c3ccc(Cl)c(Cl)c3)C([NH2+]CC1)[C@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000042878470 563163214 /nfs/dbraw/zinc/16/32/14/563163214.db2.gz XQXDLYHIFUDHML-TUKZGULFSA-N 2 0 458.260 6.624 1 0 JKAFRP CC(C)NC(=[NH2+])c1ccc(OCc2cccc(COc3ccc(C(=[NH2+])NC(C)C)cc3)c2)cc1 ZINC000043019084 563164831 /nfs/dbraw/zinc/16/48/31/563164831.db2.gz VTFUJHYKJWKUTR-UHFFFAOYSA-N 2 0 458.606 5.491 1 0 JKAFRP CC(C)NC(=[NH2+])c1cccc(OCc2ccccc2COc2cccc(C(=[NH2+])NC(C)C)c2)c1 ZINC000043023689 563165210 /nfs/dbraw/zinc/16/52/10/563165210.db2.gz XLUHUSIQKDXBRX-UHFFFAOYSA-N 2 0 458.606 5.491 1 0 JKAFRP CC(C)NC(=[NH2+])c1ccc(OCc2ccc(COc3ccc(C(=[NH2+])NC(C)C)cc3)cc2)cc1 ZINC000043071194 563166324 /nfs/dbraw/zinc/16/63/24/563166324.db2.gz AOGHFYIHKFWTBQ-UHFFFAOYSA-N 2 0 458.606 5.491 1 0 JKAFRP 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 563172195 /nfs/dbraw/zinc/17/21/95/563172195.db2.gz DDLNRLXMPCNPAF-IQPILQITSA-N 2 0 455.731 5.080 1 0 JKAFRP C[NH2+][C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@@H]4[NH2+]CC[C@@H]4C(C)C)C3=CC[C@H]2[C@H]1OC(C)=O ZINC000044406345 563172618 /nfs/dbraw/zinc/17/26/18/563172618.db2.gz RWTFLBCUUBVVCW-AIXVVPPNSA-N 2 0 498.796 6.355 1 0 JKAFRP COc1ccc(C[NH2+]CCCCCC[NH2+]Cc2ccc(OC)c3ccccc23)c2ccccc12 ZINC000045168102 563173622 /nfs/dbraw/zinc/17/36/22/563173622.db2.gz ORXWMWNPVYCSGN-UHFFFAOYSA-N 2 0 456.630 6.450 1 0 JKAFRP O[C@@H](C[NH2+]CCCCCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000045186709 563174168 /nfs/dbraw/zinc/17/41/68/563174168.db2.gz TWCFVVVBDJZRKL-SZPZYZBQSA-N 2 0 494.290 5.807 1 0 JKAFRP c1ccc(-c2cc(NCCCCNc3cc(-c4ccccc4)[nH+]c4ccccc34)c3ccccc3[nH+]2)cc1 ZINC000045188584 563174952 /nfs/dbraw/zinc/17/49/52/563174952.db2.gz FNYTYGMKXFYOIH-UHFFFAOYSA-N 2 0 494.642 8.421 1 0 JKAFRP CC[NH+](CC)CCCN(CCC[NH+](CC)CC)c1cc(C)nc(Nc2ccc(Cl)cc2)n1 ZINC000045189169 563175171 /nfs/dbraw/zinc/17/51/71/563175171.db2.gz HCUFJBUMZBCILQ-UHFFFAOYSA-N 2 0 461.098 5.452 1 0 JKAFRP C[NH+]1CCC(N2CC[NH+](Cc3cccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)cc4)c3)CC2)CC1 ZINC000045190402 563175546 /nfs/dbraw/zinc/17/55/46/563175546.db2.gz DTTPNPSXTSAXRC-UHFFFAOYSA-N 2 0 483.635 5.248 1 0 JKAFRP Fc1ccc2[nH]c(-c3cccc(-c4ccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)cc4)c3)nc2c1 ZINC000045191408 563175744 /nfs/dbraw/zinc/17/57/44/563175744.db2.gz YDMHQSFMOCQWOK-UHFFFAOYSA-N 2 0 496.674 7.124 1 0 JKAFRP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)cc4)cc3)nc21 ZINC000045192250 563176123 /nfs/dbraw/zinc/17/61/23/563176123.db2.gz ZRZNKWIAVFOOJR-UHFFFAOYSA-N 2 0 492.711 7.293 1 0 JKAFRP c1ccc(CN2CCC([NH2+]Cc3ccc(-c4ccc(C[NH2+]Cc5cccnc5)cn4)cc3)CC2)cc1 ZINC000045194148 563177051 /nfs/dbraw/zinc/17/70/51/563177051.db2.gz DPQOVSNTZUKWAR-UHFFFAOYSA-N 2 0 477.656 5.188 1 0 JKAFRP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4cccc(-c5nc6ccccc6[nH]5)c4)c3)CC2)C1 ZINC000045195839 563177739 /nfs/dbraw/zinc/17/77/39/563177739.db2.gz NLQDBBUYGJFYMW-VWLOTQADSA-N 2 0 479.672 5.356 1 0 JKAFRP C[N@H+](Cc1ccncc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 ZINC000045202339 563178741 /nfs/dbraw/zinc/17/87/41/563178741.db2.gz ZNRYLXQDUNYDAC-AREMUKBSSA-N 2 0 450.026 5.396 1 0 JKAFRP CC[NH+](CC)CCN(CC[NH+](CC)CC)c1ccc2c(c1)Sc1c(Cl)ccc(Cl)c1S2 ZINC000045211146 563179710 /nfs/dbraw/zinc/17/97/10/563179710.db2.gz XAPVSYLACVEGHT-UHFFFAOYSA-N 2 0 498.589 7.099 1 0 JKAFRP c1ccc2[nH]c(-c3cccc(-c4cccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)c4)c3)nc2c1 ZINC000045227956 563180325 /nfs/dbraw/zinc/18/03/25/563180325.db2.gz NQMGITIPMOVJAE-UHFFFAOYSA-N 2 0 478.684 6.985 1 0 JKAFRP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(C6CC[NH+](C)CC6)CC5)cc4)cc3)nc21 ZINC000045229237 563180714 /nfs/dbraw/zinc/18/07/14/563180714.db2.gz SKDZAENUJSVDRZ-UHFFFAOYSA-N 2 0 479.672 5.417 1 0 JKAFRP CCc1c(CC[NH2+]CCCCCC[NH2+]CCc2ccc(Br)cc2)ccc(OC)c1OC ZINC000045230418 563181243 /nfs/dbraw/zinc/18/12/43/563181243.db2.gz DWHYOLYELKXHNI-UHFFFAOYSA-N 2 0 491.514 5.554 1 0 JKAFRP CCN(CC)C(=O)c1ccc(N(c2cccc(C[NH3+])c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045300127 563185425 /nfs/dbraw/zinc/18/54/25/563185425.db2.gz KMOVKNBFJZPRBZ-UHFFFAOYSA-N 2 0 470.661 5.430 1 0 JKAFRP C[NH2+]CCCCCCOc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000045302251 563186132 /nfs/dbraw/zinc/18/61/32/563186132.db2.gz YQXBIEINTVBLLB-CYFREDJKSA-N 2 0 452.561 5.118 1 0 JKAFRP Fc1ccc2[nH]c(-c3cccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)c3)nc2c1 ZINC000045302371 563186277 /nfs/dbraw/zinc/18/62/77/563186277.db2.gz QOIMUWUNZAGNIH-UHFFFAOYSA-N 2 0 463.560 5.753 1 0 JKAFRP COc1ccc2c(c1CC[NH2+]CCCC[NH2+]CCc1c(OC)ccc3c1CCCC3)CCCC2 ZINC000045323007 563188651 /nfs/dbraw/zinc/18/86/51/563188651.db2.gz WAZNWXJEFRGZEF-UHFFFAOYSA-N 2 0 464.694 5.206 1 0 JKAFRP c1ccc(CN2CCC([NH2+]Cc3ccc(-c4cccc(C[NH2+]C5CCCC5)c4)cc3)CC2)cc1 ZINC000045324005 563189022 /nfs/dbraw/zinc/18/90/22/563189022.db2.gz GMELJANXCBKJOZ-UHFFFAOYSA-N 2 0 453.674 6.140 1 0 JKAFRP C[C@H](Cc1ccc(NC(=O)CC[NH2+]Cc2ccccc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045324397 563189118 /nfs/dbraw/zinc/18/91/18/563189118.db2.gz AREULUURAKTRQW-OAQYLSRUSA-N 2 0 450.026 5.222 1 0 JKAFRP COc1cc2ccccc2cc1CC[NH2+]CCCC[NH2+]CCc1cc2ccccc2cc1OC ZINC000045324944 563189410 /nfs/dbraw/zinc/18/94/10/563189410.db2.gz SPDUJQQEBPMQAL-UHFFFAOYSA-N 2 0 456.630 5.755 1 0 JKAFRP c1ccc(CC[NH2+]Cc2cccc(-c3ccccc3C[NH2+]Cc3ccc4c(c3)OCO4)c2)nc1 ZINC000045335206 563189871 /nfs/dbraw/zinc/18/98/71/563189871.db2.gz OMINIWXVQVXEEY-UHFFFAOYSA-N 2 0 451.570 5.099 1 0 JKAFRP c1cc(-c2nc3ccc(C4=[NH+]CCN4)cc3s2)sc1-c1nc2ccc(C3=[NH+]CCN3)cc2s1 ZINC000045384344 563194285 /nfs/dbraw/zinc/19/42/85/563194285.db2.gz QCLXCGCHCDXEIS-UHFFFAOYSA-N 2 0 486.651 5.001 1 0 JKAFRP 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 563204435 /nfs/dbraw/zinc/20/44/35/563204435.db2.gz ZNDZLOQWUMYHMQ-DBXYCEKVSA-N 2 0 452.727 5.708 1 0 JKAFRP C[NH+](C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)N(C(=O)CC[NH+]1CCCCC1)CC2 ZINC000058590560 563208078 /nfs/dbraw/zinc/20/80/78/563208078.db2.gz IPTUWMNJYJQMEQ-KMGQJKACSA-N 2 0 459.678 5.125 1 0 JKAFRP CC1=N[C@H]2CC[C@H]1OC(=O)CCCCCCC[C@H]1CC[C@H](OC(=O)CCCCCCC2)[C@@H](C)[NH2+]1 ZINC000013383663 571700248 /nfs/dbraw/zinc/70/02/48/571700248.db2.gz KGQYREIAHMZYSA-UWNMQHKVSA-N 2 0 476.702 6.049 1 0 endogenous,in-man JKAFRP c1ccc2c(c1)N[C@H]1CCCCC1=C2[NH2+]CCCCCCCC[NH2+][C@H]1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000195108708 581091207 /nfs/dbraw/zinc/09/12/07/581091207.db2.gz LVRVQELTVCNPQT-HTZSSYRZSA-N 3 0 464.742 6.206 1 0 JKAFRP c1ccc2c(c1)N[C@@H]1CCCCC1=C2[NH2+]CCCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@H]12 ZINC000195108695 581091212 /nfs/dbraw/zinc/09/12/12/581091212.db2.gz LVRVQELTVCNPQT-UMDVNSCSSA-N 3 0 464.742 6.206 1 0 JKAFRP Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(C4CC[NH+](C)CC4)c3)CC2)n1 ZINC000003816888 562928948 /nfs/dbraw/zinc/92/89/48/562928948.db2.gz PFEBJWBMYVVIJO-UHFFFAOYSA-N 2 0 457.662 5.686 1 0 JKAFRP c1ccc(CCCC2CC[NH+](C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000003921838 562929871 /nfs/dbraw/zinc/92/98/71/562929871.db2.gz JWSRHFLPBLYQPA-AJQTZOPKSA-N 2 0 458.734 7.017 1 0 JKAFRP CCCCCNC(=[NH2+])c1ccc(N2CCN(c3ccc(C(=[NH2+])NCCCCC)cc3)CC2)cc1 ZINC000003986788 562931582 /nfs/dbraw/zinc/93/15/82/562931582.db2.gz JJDUNDKQXPJHGM-UHFFFAOYSA-N 2 0 462.686 5.224 1 0 JKAFRP CC[NH+](CC)CCCOC(=O)c1ccc2sc3ccc(C(=O)OCCC[NH+](CC)CC)cc3c2c1 ZINC000005492650 562934037 /nfs/dbraw/zinc/93/40/37/562934037.db2.gz YDAABYJRUVMVLZ-UHFFFAOYSA-N 2 0 498.689 5.832 1 0 JKAFRP [NH3+]CCC[NH+](CCCC[N@@H+](CCC[NH3+])Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000005834445 562935276 /nfs/dbraw/zinc/93/52/76/562935276.db2.gz YUBNTJNBSLKLOF-UHFFFAOYSA-N 4 0 482.716 5.775 1 0 JKAFRP COc1ccc(CCCC[NH2+]Cc2cccc(C[NH2+]CCCCc3ccc(OC)cc3)c2)cc1 ZINC000006005072 562936220 /nfs/dbraw/zinc/93/62/20/562936220.db2.gz UXMWXUVIWCLPGP-UHFFFAOYSA-N 2 0 460.662 5.929 1 0 JKAFRP COc1ccc2cc(C[NH2+]CCCCCC[NH2+]Cc3ccc4cc(OC)ccc4c3)ccc2c1 ZINC000006007046 562936259 /nfs/dbraw/zinc/93/62/59/562936259.db2.gz JIUHXCGXQWNFAS-UHFFFAOYSA-N 2 0 456.630 6.450 1 0 JKAFRP CCc1nc2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1cccc(-c2ccc(C(N)=[NH2+])cc2)c1 ZINC000013441151 562963247 /nfs/dbraw/zinc/96/32/47/562963247.db2.gz LCVRBWUCWYMZMG-UHFFFAOYSA-N 2 0 494.643 5.438 1 0 JKAFRP CCc1nc2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1ccc(-c2cccc(C(N)=[NH2+])c2)cc1 ZINC000013441155 562963264 /nfs/dbraw/zinc/96/32/64/562963264.db2.gz JOJOIJJNZOVEKT-UHFFFAOYSA-N 2 0 494.643 5.438 1 0 JKAFRP CCC1=[NH+][C@@H](c2ccc(O)cc2Cl)[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2Cl)N1 ZINC000013607938 562979021 /nfs/dbraw/zinc/97/90/21/562979021.db2.gz CHCBYBLHOJHOQN-BJKOFHAPSA-N 2 0 462.421 5.758 1 0 JKAFRP Cc1c(-c2cccc(SCC[NH+](C)C)c2)ncnc1-c1cccc(SCC[NH+](C)C)c1 ZINC000013649266 562980956 /nfs/dbraw/zinc/98/09/56/562980956.db2.gz YORNPMGHYUTOAQ-UHFFFAOYSA-N 2 0 452.693 5.426 1 0 JKAFRP C/C=C1\[C@H]2C=C(C)C[C@]1([NH3+])C[C@@H]([NH2+]CCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)C2 ZINC000013704683 562984687 /nfs/dbraw/zinc/98/46/87/562984687.db2.gz CNCWLWGSZNPHQK-FDGCPCOQSA-N 3 0 486.748 6.838 1 0 JKAFRP c1ccc2c(NCCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc[nH+]c2c1 ZINC000013801268 562994114 /nfs/dbraw/zinc/99/41/14/562994114.db2.gz NPGXFJUCABRJKY-UHFFFAOYSA-N 2 0 466.673 7.917 1 0 JKAFRP OC1(CCCc2cccnc2)CC[NH+](C[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013819414 562997234 /nfs/dbraw/zinc/99/72/34/562997234.db2.gz RESTXJLMXFJGHZ-XZWHSSHBSA-N 2 0 475.721 5.527 1 0 JKAFRP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@H+]3C)c2)c1 ZINC000013859944 563001761 /nfs/dbraw/zinc/00/17/61/563001761.db2.gz YTZIIYWGVZWZQQ-CONSDPRKSA-N 4 0 478.769 6.006 1 0 JKAFRP C[NH2+]C[C@H](Cc1ccccc1)NC[C@@H](Cc1cccc2ccccc21)[NH2+]CCc1ccc(C)cc1 ZINC000022938830 563019350 /nfs/dbraw/zinc/01/93/50/563019350.db2.gz XZNLZOYTUILGIG-IOWSJCHKSA-N 2 0 465.685 5.312 3 0 JKAFRP CC[NH2+][C@H](CC[C@@H]([NH2+]CC)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026180862 563023774 /nfs/dbraw/zinc/02/37/74/563023774.db2.gz UERQBESFMSEDBI-QZTJIDSGSA-N 2 0 466.236 6.493 1 0 JKAFRP C[N@H+](C[C@H](CC[NH+]1CCC(CCCc2ccccc2)CC1)c1ccccc1)CC1CCCCC1 ZINC000026844848 563037034 /nfs/dbraw/zinc/03/70/34/563037034.db2.gz RMJKBCQACIGDBG-YTTGMZPUSA-N 2 0 460.750 7.407 1 0 JKAFRP Clc1ccc(C[NH2+]CCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000027642656 563048119 /nfs/dbraw/zinc/04/81/19/563048119.db2.gz IMZAFTCPLSACKI-UHFFFAOYSA-N 2 0 486.491 5.141 1 0 JKAFRP Cc1ccc(COc2ccc(C[NH+](CCC[NH3+])Cc3ccc(OCc4ccc(C)cc4)cc3)cc2)cc1 ZINC000027704591 563049407 /nfs/dbraw/zinc/04/94/07/563049407.db2.gz QYQFJAXUVZKXQH-UHFFFAOYSA-N 2 0 494.679 6.812 1 0 JKAFRP [NH3+]CCC[NH+](Cc1ccc(OCCc2ccccc2)cc1)Cc1ccc(OCCc2ccccc2)cc1 ZINC000027709884 563049747 /nfs/dbraw/zinc/04/97/47/563049747.db2.gz PGFXVFBGYBKIRA-UHFFFAOYSA-N 2 0 494.679 6.281 1 0 JKAFRP CC(=[NH2+])N1CCC(Oc2ccc3nc(C(C)(C)C)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000028016772 563055048 /nfs/dbraw/zinc/05/50/48/563055048.db2.gz BPAQJTYBGWPSRM-UHFFFAOYSA-N 2 0 496.659 5.660 1 0 JKAFRP Clc1cc2nc(C3CC[NH2+]CC3)n(CCCCC[NH+]3Cc4ccccc4C3)c2cc1Cl ZINC000028230454 563058249 /nfs/dbraw/zinc/05/82/49/563058249.db2.gz IOWKNHCETIJJCO-UHFFFAOYSA-N 2 0 457.449 5.996 1 0 JKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C(=O)c1ccccc1 ZINC000028395765 563063892 /nfs/dbraw/zinc/06/38/92/563063892.db2.gz YUTVTLZRVPZLTH-UHFFFAOYSA-N 2 0 491.679 5.890 1 0 JKAFRP COc1ccc([C@@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028520417 563066156 /nfs/dbraw/zinc/06/61/56/563066156.db2.gz YIAJMZYNKVFSCV-SSEXGKCCSA-N 2 0 477.737 5.816 1 0 JKAFRP COc1ccccc1CC[NH2+]C[C@H](c1ccc(C(C)(C)C)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028522328 563066545 /nfs/dbraw/zinc/06/65/45/563066545.db2.gz VFCMCYWFSLNPDX-GDLZYMKVSA-N 2 0 477.737 5.816 1 0 JKAFRP Cc1cc(C)cc(CC[NH2+]C[C@@H](c2ccc(-c3ccccc3)cc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000028522394 563066550 /nfs/dbraw/zinc/06/65/50/563066550.db2.gz JYXNBOOVPKYADN-UMSFTDKQSA-N 2 0 495.755 6.794 1 0 JKAFRP COc1ccc(CC[NH2+]C[C@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028522929 563066598 /nfs/dbraw/zinc/06/65/98/563066598.db2.gz FDSAKRKDLPNMLT-SSEXGKCCSA-N 2 0 477.737 5.816 1 0 JKAFRP COc1ccccc1[C@H](C[NH2+]CCc1cc(Cl)cc(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028523638 563066840 /nfs/dbraw/zinc/06/68/40/563066840.db2.gz VMFHCPVQZNTAEM-SANMLTNESA-N 2 0 490.519 5.826 1 0 JKAFRP c1ccc2cc(CCC[NH2+]CCCCCCCC[NH2+]CCCc3ccc4ccccc4c3)ccc2c1 ZINC000028641490 563072570 /nfs/dbraw/zinc/07/25/70/563072570.db2.gz MHUQJXHXWGEULM-UHFFFAOYSA-N 2 0 480.740 8.078 1 0 JKAFRP c1ccc2cc(CCC[NH2+]CCCNCCC[NH2+]CCCc3ccc4ccccc4c3)ccc2c1 ZINC000028642232 563072803 /nfs/dbraw/zinc/07/28/03/563072803.db2.gz NEVNTQPGXWCQHN-UHFFFAOYSA-N 2 0 467.701 6.107 1 0 JKAFRP C[NH+]1CCC([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028645902 563073244 /nfs/dbraw/zinc/07/32/44/563073244.db2.gz RWOYIJLZFRIMKP-YTTGMZPUSA-N 2 0 487.707 6.045 1 0 JKAFRP CSc1ccc([C@H]2C[N@H+](C)Cc3cccc(Oc4ccnc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827071 563082712 /nfs/dbraw/zinc/08/27/12/563082712.db2.gz AHDIGRGVUXUPBL-AREMUKBSSA-N 2 0 459.659 6.159 1 0 JKAFRP CSc1ccc([C@@H]2C[N@H+](C)Cc3cccc(Oc4cccc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827066 563082732 /nfs/dbraw/zinc/08/27/32/563082732.db2.gz RDBZJBIXPLABFL-MHZLTWQESA-N 2 0 458.671 6.764 1 0 JKAFRP CC(C)NC(=[NH2+])c1ccc2cc(CCCCCc3cc4ccc(C(=[NH2+])NC(C)C)cc4o3)oc2c1 ZINC000028870163 563084082 /nfs/dbraw/zinc/08/40/82/563084082.db2.gz UDNRWBXXIIGQIR-UHFFFAOYSA-N 2 0 472.633 6.781 1 0 JKAFRP FC(F)(F)Oc1ccc([C@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885836 563084933 /nfs/dbraw/zinc/08/49/33/563084933.db2.gz SMMVELORIHFJCC-CLJLJLNGSA-N 2 0 474.567 6.122 1 0 JKAFRP C[NH+](C)CC[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000028892942 563085292 /nfs/dbraw/zinc/08/52/92/563085292.db2.gz ZTNPNIPEXVPGCQ-RUZDIDTESA-N 2 0 465.465 6.320 1 0 JKAFRP C[NH+](C)CC[C@@H](Oc1cccc(Br)c1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000028892965 563085311 /nfs/dbraw/zinc/08/53/11/563085311.db2.gz NQHRYUNHBWFEMY-RUZDIDTESA-N 2 0 475.471 5.776 1 0 JKAFRP C[N@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2ccc(SC(F)(F)F)cc2)C1 ZINC000028893153 563085380 /nfs/dbraw/zinc/08/53/80/563085380.db2.gz FYQWSOGFMUPHGU-DEOSSOPVSA-N 2 0 482.587 6.079 1 0 JKAFRP Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(c3ccccc3)c3cc[nH+]cc3)CC2)CC1 ZINC000029040889 563091521 /nfs/dbraw/zinc/09/15/21/563091521.db2.gz SFGOPQWPBVPWRW-UHFFFAOYSA-N 2 0 482.672 5.996 1 0 JKAFRP CC(C)[NH+](CCCN(CCC[NH+](C(C)C)C(C)C)c1ccnc2cc(Cl)ccc21)C(C)C ZINC000029053136 563093192 /nfs/dbraw/zinc/09/31/92/563093192.db2.gz JGJWJFSBRPIUHE-UHFFFAOYSA-N 2 0 461.138 6.712 1 0 JKAFRP C[NH2+]Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1Oc1ccc(SC(F)(F)F)cc1 ZINC000029129762 563096782 /nfs/dbraw/zinc/09/67/82/563096782.db2.gz PUCXAAZLYORUSG-UHFFFAOYSA-N 2 0 479.568 5.121 1 0 JKAFRP COc1cc(C[N@H+](CCNc2ccnc3cc(Cl)ccc32)CC(C)(C)C)c(OC)c2ccccc12 ZINC000029134713 563098010 /nfs/dbraw/zinc/09/80/10/563098010.db2.gz KMJQYRCWYASNDJ-UHFFFAOYSA-N 2 0 492.063 7.019 1 0 JKAFRP c1cn(CCCCCCCCn2ccc(=[NH+]C3CCCCC3)cc2)ccc1=[NH+]C1CCCCC1 ZINC000029232231 563099122 /nfs/dbraw/zinc/09/91/22/563099122.db2.gz WEWLLULKUGGVLT-UHFFFAOYSA-N 2 0 462.726 6.797 1 0 JKAFRP Fc1ccc([NH+]=c2ccn(CCCCCCn3ccc(=[NH+]c4ccc(F)cc4)cc3)cc2)cc1 ZINC000029238057 563099225 /nfs/dbraw/zinc/09/92/25/563099225.db2.gz VDESMKSCYCBWAN-UHFFFAOYSA-N 2 0 458.556 6.293 1 0 JKAFRP CC(C)c1ccc(C[NH2+]CCCNCCC[NH2+]CCC[NH2+]Cc2ccc(C(C)C)cc2)cc1 ZINC000034894158 563117467 /nfs/dbraw/zinc/11/74/67/563117467.db2.gz FACLKRAWIPPKAR-UHFFFAOYSA-N 3 0 452.731 5.162 1 0 JKAFRP O=C(CCC[NH+]1CCCCC1)c1ccc2oc3ccc(C(=O)CCC[NH+]4CCCCC4)cc3c2c1 ZINC000039208142 563136379 /nfs/dbraw/zinc/13/63/79/563136379.db2.gz KJNIINNYNUVQIZ-UHFFFAOYSA-N 2 0 474.645 6.484 1 0 JKAFRP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H]([NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040395372 563139107 /nfs/dbraw/zinc/13/91/07/563139107.db2.gz DFCJPXSNVVSICP-BWVDWJPHSA-N 2 0 456.803 7.725 1 0 JKAFRP O=C(CC[NH+]1CCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040406287 563140110 /nfs/dbraw/zinc/14/01/10/563140110.db2.gz XAESOWVAGRAFQT-ABQAWVCCSA-N 2 0 472.673 5.600 1 0 JKAFRP CC1(C)CC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+]2CCCC2)CN3c2ccccc2)c2ccccc21 ZINC000040406450 563140150 /nfs/dbraw/zinc/14/01/50/563140150.db2.gz VOSNJKFVBDSLTN-NDEPHWFRSA-N 2 0 486.704 5.036 1 0 JKAFRP O=C(CC[NH+]1CCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040406284 563140153 /nfs/dbraw/zinc/14/01/53/563140153.db2.gz XAESOWVAGRAFQT-KVSLOUQESA-N 2 0 472.673 5.600 1 0 JKAFRP [NH3+]CCCCCC[NH2+]CCOc1ccc(Br)cc1NC(=O)Cc1cccc2ccccc21 ZINC000040873174 563151584 /nfs/dbraw/zinc/15/15/84/563151584.db2.gz CIUOTWYZNOCJOF-UHFFFAOYSA-N 2 0 498.465 5.271 1 0 JKAFRP O=C(CC[NH+]1CCCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040917084 563155779 /nfs/dbraw/zinc/15/57/79/563155779.db2.gz LHTXFIFFOCCAJJ-ZIQMFUFLSA-N 2 0 486.700 5.990 1 0 JKAFRP CC[NH+](CC)CCC(=O)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040918310 563156229 /nfs/dbraw/zinc/15/62/29/563156229.db2.gz UTWVLXKNFRNPHB-GJTYJFQVSA-N 2 0 488.716 6.236 1 0 JKAFRP C[NH+]1CCC(N2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)c3)CC2)CC1 ZINC000045168797 563173918 /nfs/dbraw/zinc/17/39/18/563173918.db2.gz WXLGMEUMVVRXML-UHFFFAOYSA-N 2 0 465.645 5.109 1 0 JKAFRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)cc3)CC2)C1 ZINC000045189774 563175310 /nfs/dbraw/zinc/17/53/10/563175310.db2.gz PGYDSQWYZDMGDC-HSZRJFAPSA-N 2 0 485.701 5.418 1 0 JKAFRP O=S(=O)(Nc1cccc(CC[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1)c1cccc2ccccc21 ZINC000045190497 563175517 /nfs/dbraw/zinc/17/55/17/563175517.db2.gz BUDJFHXEVXTTSN-HHHXNRCGSA-N 2 0 491.701 5.524 1 0 JKAFRP CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(CC[NH+](C)C)C(=O)Nc3ccccc3)c2)c1 ZINC000045191803 563176018 /nfs/dbraw/zinc/17/60/18/563176018.db2.gz TWEGEQDEUOFTQR-UHFFFAOYSA-N 2 0 458.650 5.695 1 0 JKAFRP c1ccc(CN2CCC([NH2+]Cc3ccccc3-c3ccc(C[NH2+]C4CCCC4)cc3)CC2)cc1 ZINC000045194800 563177277 /nfs/dbraw/zinc/17/72/77/563177277.db2.gz HCPYWVRWTHYILX-UHFFFAOYSA-N 2 0 453.674 6.140 1 0 JKAFRP 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 563177617 /nfs/dbraw/zinc/17/76/17/563177617.db2.gz ICIBUEJGWKALGI-DPCYWBTJSA-N 2 0 489.660 5.416 1 0 JKAFRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4cccc(-c5nc6ccccc6[nH]5)c4)c3)CC2)C1 ZINC000045195842 563177749 /nfs/dbraw/zinc/17/77/49/563177749.db2.gz NLQDBBUYGJFYMW-RUZDIDTESA-N 2 0 479.672 5.356 1 0 JKAFRP 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 563177830 /nfs/dbraw/zinc/17/78/30/563177830.db2.gz OHLRJZOLGDLFBC-HOFFSEQDSA-N 2 0 459.634 5.408 1 0 JKAFRP CCCCCC[C@@H]([NH3+])c1ccc(OCCCOc2ccc([C@H]([NH3+])CCCCCC)cc2)cc1 ZINC000045209927 563179251 /nfs/dbraw/zinc/17/92/51/563179251.db2.gz OQNTYPUFUNWKNL-FQLXRVMXSA-N 2 0 454.699 7.475 1 0 JKAFRP [NH3+]C[C@@H]1CCCN1Cc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045210443 563179363 /nfs/dbraw/zinc/17/93/63/563179363.db2.gz FQTTXYSHMMMREY-QFIPXVFZSA-N 2 0 450.508 5.839 1 0 JKAFRP [NH3+]C[C@H]1CCCN1Cc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045210439 563179398 /nfs/dbraw/zinc/17/93/98/563179398.db2.gz FQTTXYSHMMMREY-JOCHJYFZSA-N 2 0 450.508 5.839 1 0 JKAFRP O=S(=O)(Nc1cccc(CC[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1)c1ccc2ccccc2c1 ZINC000045226585 563179750 /nfs/dbraw/zinc/17/97/50/563179750.db2.gz YEAAANNSMPJFJL-NDEPHWFRSA-N 2 0 491.701 5.524 1 0 JKAFRP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@H]6CCC[N@@H+](C)C6)CC5)cc4)s3)nc21 ZINC000045227198 563179904 /nfs/dbraw/zinc/17/99/04/563179904.db2.gz IVMKRAYVVSIQNQ-DEOSSOPVSA-N 2 0 499.728 5.726 1 0 JKAFRP C[NH+]1CCN(c2cc[nH+]c3ccc(NC(=O)Nc4cccc5c(Br)cccc45)cc32)CC1 ZINC000045227474 563180072 /nfs/dbraw/zinc/18/00/72/563180072.db2.gz BDODWNBXBGPCGY-UHFFFAOYSA-N 2 0 490.405 5.546 1 0 JKAFRP CC1(C)CC([NH2+]CCCCCCCOc2ccc(OCc3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000045301790 563185899 /nfs/dbraw/zinc/18/58/99/563185899.db2.gz QXDKCSUUUUNGJO-UHFFFAOYSA-N 2 0 452.683 6.494 1 0 JKAFRP COc1ccc2c(c1)CC(C)(C)[NH2+][C@H]2CCCCCCCC[C@@H]1[NH2+]C(C)(C)Cc2cc(OC)ccc21 ZINC000045322785 563188687 /nfs/dbraw/zinc/18/86/87/563188687.db2.gz JVXNLGMSPWTFFF-KYJUHHDHSA-N 2 0 492.748 7.456 1 0 JKAFRP C[NH+]1CCN(c2cc[nH+]c3ccc(NC(=O)Nc4cccc5c(-c6ccncc6)cccc45)cc32)CC1 ZINC000045336224 563190248 /nfs/dbraw/zinc/19/02/48/563190248.db2.gz PNWZGNPBLOWPSF-UHFFFAOYSA-N 2 0 488.595 5.846 1 0 JKAFRP [NH3+]CCCCCCCCCCCC[NH2+]Cc1c2c(nc3ccccc31)-c1cc3ccccc3c(=O)n1C2 ZINC000045340060 563191276 /nfs/dbraw/zinc/19/12/76/563191276.db2.gz GKSLDLOAXKACGT-UHFFFAOYSA-N 2 0 496.699 6.528 1 0 JKAFRP CC(C)CCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCC(C)C)cc2)cc1 ZINC000045353448 563192122 /nfs/dbraw/zinc/19/21/22/563192122.db2.gz RRXBSRRINXECPN-UHFFFAOYSA-N 2 0 466.798 8.040 1 0 JKAFRP CC(C)CCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCC(C)C)cc2)cc1 ZINC000045354054 563192131 /nfs/dbraw/zinc/19/21/31/563192131.db2.gz YMJJPDNMYLJBIZ-UHFFFAOYSA-N 2 0 494.852 8.820 1 0 JKAFRP Cc1cc[n+](CCCc2ccc(-c3ccc(CCC[n+]4ccc(C)c(C)c4)cc3)cc2)cc1C ZINC000045374657 563194091 /nfs/dbraw/zinc/19/40/91/563194091.db2.gz AKEWRXXBJJCYIL-UHFFFAOYSA-N 2 0 450.670 6.428 1 0 JKAFRP C[n+]1ccc2c3ccccc3n(CCCCCCCCCn3c4ccccc4c4cc[n+](C)cc43)c2c1 ZINC000049050890 563200013 /nfs/dbraw/zinc/20/00/13/563200013.db2.gz XBLBEGLFURYCBO-UHFFFAOYSA-N 2 0 490.695 6.982 1 0 JKAFRP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H]([NH2+]CCCC[NH3+])[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000049694456 563203187 /nfs/dbraw/zinc/20/31/87/563203187.db2.gz LWUBVHHUZJIZGV-FJSNHDTHSA-N 2 0 488.801 5.811 1 0 JKAFRP C[N@@H+]1CCC[C@H]1CCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1cccc2ccccc21 ZINC000058550564 563207251 /nfs/dbraw/zinc/20/72/51/563207251.db2.gz DQNLQLNKDWCSDB-SANMLTNESA-N 2 0 464.613 5.404 1 0 JKAFRP O=C(CC[NH+]1CCCCC1)N1CCC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000058592819 563208250 /nfs/dbraw/zinc/20/82/50/563208250.db2.gz KBUSUQNWHPVRNU-DUEBYIIVSA-N 2 0 485.716 5.659 1 0 JKAFRP c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[N@H+](CCC[NH+]2CCCCC2)CC3)cc1 ZINC000058650430 563208583 /nfs/dbraw/zinc/20/85/83/563208583.db2.gz ADISQAGQYMCTMK-HWOSFROGSA-N 3 0 471.733 6.133 1 0 JKAFRP C[NH+](C)C12C[C@@H](c3ccccc3)C([C@H](c3ccccc3)C1)[C@@H](OC(=O)CC[NH+]1CCCCC1)C2 ZINC000059275640 563208993 /nfs/dbraw/zinc/20/89/93/563208993.db2.gz UPRJRCVAPDDNFX-JQUSUITLSA-N 2 0 460.662 5.456 1 0 JKAFRP c1ccc2c(c1)N[C@H]1CCCCC1=C2[NH2+]CCCCCCCC[NH2+][C@@H]1CC[NH2+][C@H]2CCCC[C@H]12 ZINC000101269334 581091111 /nfs/dbraw/zinc/09/11/11/581091111.db2.gz LVRVQELTVCNPQT-QIBGPLTASA-N 3 0 464.742 6.206 1 0 JKAFRP C[C@@H]1[NH2+][C@@H]2CC[C@H]1OC(=O)CCCCCCC[C@@H]1CC[C@H](OC(=O)CCCCCCC2)[C@H](C)[NH2+]1 ZINC000085531685 291594268 /nfs/dbraw/zinc/59/42/68/291594268.db2.gz AMSCMASJCYVAIF-HILHYHTASA-N 2 0 478.718 5.566 1 0 biogenic,in-vitro JKAFRP c1ccc2c(c1)N[C@@H]1CCCCC1=C2[NH2+]CCCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]12 ZINC000169290520 581091179 /nfs/dbraw/zinc/09/11/79/581091179.db2.gz LVRVQELTVCNPQT-FLKHEUMLSA-N 3 0 464.742 6.206 1 0 JKAFRP c1ccc2c(c1)N[C@@H]1CCCCC1=C2[NH2+]CCCCCCCC[NH2+][C@@H]1CC[NH2+][C@H]2CCCC[C@@H]12 ZINC000299807091 581091191 /nfs/dbraw/zinc/09/11/91/581091191.db2.gz LVRVQELTVCNPQT-GOJGNYKUSA-N 3 0 464.742 6.206 1 0 JKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNC2=C3CCCCC3=[NH+][C@H]3C=CC=C[C@H]23)CCCC1 ZINC000084541448 581091220 /nfs/dbraw/zinc/09/12/20/581091220.db2.gz PRYRMSLFNNPLDU-CUBQBAPOSA-N 2 0 494.727 7.459 1 0 JKAFRP C[NH+]1CCN(c2cc[nH+]c3ccc(NC(=O)Nc4ccc(-c5ccncc5)c5ccccc45)cc32)CC1 ZINC000000586005 562918072 /nfs/dbraw/zinc/91/80/72/562918072.db2.gz INWVSUYEPSMMEP-UHFFFAOYSA-N 2 0 488.595 5.846 1 0 JKAFRP CC(C)[NH+]1CCC(C[NH2+]C[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2)CC1 ZINC000003962189 562931076 /nfs/dbraw/zinc/93/10/76/562931076.db2.gz XQGIURLDQVHECN-VWLOTQADSA-N 2 0 453.030 5.002 1 0 JKAFRP CCC1=C(C[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C1 ZINC000004212817 562932740 /nfs/dbraw/zinc/93/27/40/562932740.db2.gz XXLZPUYGHQWHRN-DQEYMECFSA-N 2 0 478.633 5.008 1 0 JKAFRP 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 562938677 /nfs/dbraw/zinc/93/86/77/562938677.db2.gz JRVWIILYWSBUMC-IPFQZCJUSA-N 2 0 475.633 5.113 1 0 JKAFRP c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000013557710 562973956 /nfs/dbraw/zinc/97/39/56/562973956.db2.gz ZOMNEWWETGFMKD-UHFFFAOYSA-N 2 0 496.720 7.230 1 0 JKAFRP Cc1cc(NCCCCCCCCCCCCNc2cc(C)[nH+]c3ccccc23)c2ccccc2[nH+]1 ZINC000013745683 562988061 /nfs/dbraw/zinc/98/80/61/562988061.db2.gz SZFFQURWWSGOFY-UHFFFAOYSA-N 2 0 482.716 8.825 1 0 JKAFRP O=C(C[NH2+][C@@H]1c2ccccc2-c2[nH]c3ccccc3c21)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000014946295 563006793 /nfs/dbraw/zinc/00/67/93/563006793.db2.gz QOMCBCJZINTBMR-SSEXGKCCSA-N 2 0 478.640 5.246 1 0 JKAFRP C/C=C1\[C@H]2C=C(C)C[C@]1([NH3+])C[C@H]([NH2+]CCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)C2 ZINC000014947335 563006835 /nfs/dbraw/zinc/00/68/35/563006835.db2.gz CNCWLWGSZNPHQK-NTTRYBJFSA-N 3 0 486.748 6.838 1 0 JKAFRP CC(C)C[NH+](CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)CC(C)C ZINC000022453618 563017019 /nfs/dbraw/zinc/01/70/19/563017019.db2.gz RTSKTPQYRVOCCD-UHFFFAOYSA-N 2 0 474.137 5.312 1 0 JKAFRP [NH2+]=C(NC1CCCC1)c1ccc(N2CCCN(c3ccc(C(=[NH2+])NC4CCCC4)cc3)CC2)cc1 ZINC000026579135 563031215 /nfs/dbraw/zinc/03/12/15/563031215.db2.gz OSCJKQMPXINEII-UHFFFAOYSA-N 2 0 472.681 5.118 1 0 JKAFRP CCC[NH+](CCCCCC[N@@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)CCc1cccnc1 ZINC000027642196 563048095 /nfs/dbraw/zinc/04/80/95/563048095.db2.gz BFZQRIGBHSMREN-UHFFFAOYSA-N 2 0 487.754 5.255 1 0 JKAFRP [NH3+]CCCC[NH+](Cc1ccc(OCc2ccccc2)cc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000027707306 563049636 /nfs/dbraw/zinc/04/96/36/563049636.db2.gz QFBUNLSICWAADB-UHFFFAOYSA-N 2 0 480.652 6.586 1 0 JKAFRP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH3+])cc2)ccc1C[NH+]1CCCC1 ZINC000027866167 563052311 /nfs/dbraw/zinc/05/23/11/563052311.db2.gz SXXJMVHEIAMOJX-UHFFFAOYSA-N 2 0 488.653 5.807 1 0 JKAFRP NC(=[NH2+])c1ccc(-n2c3ccccc3c3ccc(OCc4ccc5ccc(C(N)=[NH2+])cc5c4)cc32)cc1 ZINC000028091255 563055704 /nfs/dbraw/zinc/05/57/04/563055704.db2.gz ZKXIPVFSRJTIOS-UHFFFAOYSA-N 2 0 483.575 6.084 1 0 JKAFRP c1ccc(Cc2ccccc2C[NH2+]CCCC[NH2+]Cc2ccccc2Cc2ccccn2)nc1 ZINC000028259712 563059342 /nfs/dbraw/zinc/05/93/42/563059342.db2.gz KHNFMBQMWCDLBV-UHFFFAOYSA-N 2 0 450.630 5.318 1 0 JKAFRP COCCc1sc[n+](CCCCCCCCCCCC[n+]2csc(CCOC)c2C)c1C ZINC000028472893 563065608 /nfs/dbraw/zinc/06/56/08/563065608.db2.gz BOARKVSPOSDCGQ-UHFFFAOYSA-N 2 0 482.800 5.980 1 0 JKAFRP COc1ccc([C@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028520419 563066135 /nfs/dbraw/zinc/06/61/35/563066135.db2.gz YIAJMZYNKVFSCV-PMERELPUSA-N 2 0 477.737 5.816 1 0 JKAFRP Fc1ccc(CC[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028478120 563066138 /nfs/dbraw/zinc/06/61/38/563066138.db2.gz OAXHARGKPSNZFZ-AREMUKBSSA-N 2 0 477.590 5.668 1 0 JKAFRP CN(C)c1ccc(CC[NH2+]C[C@@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028477918 563066152 /nfs/dbraw/zinc/06/61/52/563066152.db2.gz VKFKASXHWNMPCH-HKBQPEDESA-N 2 0 490.780 5.874 1 0 JKAFRP Fc1ccc(CC[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028478123 563066169 /nfs/dbraw/zinc/06/61/69/563066169.db2.gz OAXHARGKPSNZFZ-SANMLTNESA-N 2 0 477.590 5.668 1 0 JKAFRP Cc1cc(C)cc(CC[NH2+]C[C@H](c2ccc(-c3ccccc3)cc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000028522392 563066492 /nfs/dbraw/zinc/06/64/92/563066492.db2.gz JYXNBOOVPKYADN-UUWRZZSWSA-N 2 0 495.755 6.794 1 0 JKAFRP [NH3+]CCCCc1ccc(CCCC[N@H+](CC[C@@H]([NH3+])Cc2ccccc2)Cc2ccccc2)s1 ZINC000028652674 563074076 /nfs/dbraw/zinc/07/40/76/563074076.db2.gz ZNHVQRPHJRWUDU-HHHXNRCGSA-N 3 0 463.735 5.815 1 0 JKAFRP [NH3+]CCCCc1ccc(CCCCN(Cc2ccccc2)C(=O)C[C@@H]([NH3+])Cc2ccccc2)s1 ZINC000028652666 563074098 /nfs/dbraw/zinc/07/40/98/563074098.db2.gz FQHZJRCJBOKTHW-SANMLTNESA-N 2 0 477.718 5.341 1 0 JKAFRP COc1ccc([C@@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCC(C(F)(F)F)CC4)ccc32)cc1 ZINC000028818054 563080064 /nfs/dbraw/zinc/08/00/64/563080064.db2.gz STQJDUUWFXFIQR-VWLOTQADSA-N 2 0 462.556 5.316 1 0 JKAFRP NC(=[NH2+])c1ccc2oc(CCCCCCCCCCc3cc4cc(C(N)=[NH2+])ccc4o3)cc2c1 ZINC000028870179 563084076 /nfs/dbraw/zinc/08/40/76/563084076.db2.gz BBNHCNOWECGQIW-UHFFFAOYSA-N 2 0 458.606 6.653 1 0 JKAFRP C[N@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000028893102 563085259 /nfs/dbraw/zinc/08/52/59/563085259.db2.gz OCBPATCVPDEFSN-XMMPIXPASA-N 2 0 450.520 5.486 1 0 JKAFRP C[NH+](C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000028892777 563085308 /nfs/dbraw/zinc/08/53/08/563085308.db2.gz VANUKJZCLCPEFJ-VWLOTQADSA-N 2 0 464.572 6.032 1 0 JKAFRP CC(C)(C)C1CCC(C2=[NH+]CCc3ccc([C@H]4C[C@@H]4c4ccc5cc(C(N)=[NH2+])ccc5c4)cc32)CC1 ZINC000028975670 563090078 /nfs/dbraw/zinc/09/00/78/563090078.db2.gz ZQVVKXRLPHFVOG-KZKJCFSASA-N 2 0 477.696 7.593 1 0 JKAFRP CC(C)[NH+](CCCCN(CCCC[NH+](C(C)C)C(C)C)c1ccnc2cc(Cl)ccc21)C(C)C ZINC000029052885 563093155 /nfs/dbraw/zinc/09/31/55/563093155.db2.gz AYYHIPBSVUXPMM-UHFFFAOYSA-N 2 0 489.192 7.493 1 0 JKAFRP Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(N4CCC[N@@H+](C)CC4)c3)CC2)n1 ZINC000034272026 563112786 /nfs/dbraw/zinc/11/27/86/563112786.db2.gz LHNCHARHQBJEDW-UHFFFAOYSA-N 2 0 472.677 5.019 1 0 JKAFRP CCc1c(CC[NH2+]CC/C=C/CC[NH2+]CCc2ccc(OC)c(OC)c2CC)ccc(OC)c1OC ZINC000034276414 563112945 /nfs/dbraw/zinc/11/29/45/563112945.db2.gz LBRPFSZSYPOOCD-MDZDMXLPSA-N 2 0 498.708 5.147 1 0 JKAFRP O=C(CCC[NH+]1CCCCC1)c1ccc2sc3ccc(C(=O)CCC[NH+]4CCCCC4)cc3c2c1 ZINC000039208148 563136370 /nfs/dbraw/zinc/13/63/70/563136370.db2.gz HLZYHUTYICVERG-UHFFFAOYSA-N 2 0 490.713 6.952 1 0 JKAFRP C[NH+](C)C12C[C@@H](c3ccc(C(F)(F)F)cc3)C([NH2+]CC1)[C@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000040410744 563140674 /nfs/dbraw/zinc/14/06/74/563140674.db2.gz QKGJLIUAQXCLNM-PHZLKFDYSA-N 2 0 456.474 6.048 1 0 JKAFRP C[NH+](C)CCC[NH2+]CCCc1cccc2c1Oc1c(CCC[NH2+]CCC[NH+](C)C)cccc1C2(C)C ZINC000040467003 563144432 /nfs/dbraw/zinc/14/44/32/563144432.db2.gz UJXSSUJEBWHPKN-UHFFFAOYSA-N 4 0 494.768 5.066 1 0 JKAFRP CC(C)[NH+](CC[C@@](CCC[NH+]1CC2CCC(CC2)C1)(C(N)=O)c1ccccc1Cl)C(C)C ZINC000040632557 563147103 /nfs/dbraw/zinc/14/71/03/563147103.db2.gz QFXOHPUXERPHSH-IJQWPOMLSA-N 2 0 462.122 5.474 1 0 JKAFRP NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6cc(C(N)=[NH2+])ccc6[nH]5)cc4)cc3)nc2c1 ZINC000040866848 563151193 /nfs/dbraw/zinc/15/11/93/563151193.db2.gz CRJKMVBZNGGUSS-UHFFFAOYSA-N 2 0 498.594 5.127 1 0 JKAFRP CC(C)C[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@@H]3CCC(C)(C)c4ccccc43)CC2)C1=O ZINC000040915061 563155398 /nfs/dbraw/zinc/15/53/98/563155398.db2.gz MTJGMTDHBHXMOS-MUUNZHRXSA-N 2 0 488.720 5.186 1 0 JKAFRP CC1(C)CC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH2+]C2CCC2)CN3c2ccccc2)c2ccccc21 ZINC000040915469 563155468 /nfs/dbraw/zinc/15/54/68/563155468.db2.gz KBWCMSUFRLCWIT-NDEPHWFRSA-N 2 0 486.704 5.082 1 0 JKAFRP O=C(CC[NH+]1CCCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040917085 563155768 /nfs/dbraw/zinc/15/57/68/563155768.db2.gz LHTXFIFFOCCAJJ-GJTYJFQVSA-N 2 0 486.700 5.990 1 0 JKAFRP C[NH+](C)CCCOc1ccc(-c2cncc(-c3cc4ccccc4n3CCC[NH+](C)C)c2)cc1 ZINC000040918853 563156486 /nfs/dbraw/zinc/15/64/86/563156486.db2.gz CDLJVKPSHNZAAR-UHFFFAOYSA-N 2 0 456.634 5.653 1 0 JKAFRP COc1ccc2[nH+]ccc(N[C@@H](c3ccc(C[NH+]4CCCC4)cc3)c3cccc(Cl)c3)c2c1 ZINC000040956289 563160957 /nfs/dbraw/zinc/16/09/57/563160957.db2.gz HMDSKOMZQUURRP-NDEPHWFRSA-N 2 0 458.005 6.694 1 0 JKAFRP OCC[N@@H+]1CCC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000042888714 563163384 /nfs/dbraw/zinc/16/33/84/563163384.db2.gz NZNNRENEJFJEFS-SJWXKMTISA-N 2 0 473.488 5.946 1 0 JKAFRP CC(C)=CCNC(=[NH2+])NCCCCCCCC[NH2+]CCCCCCCCNC(=[NH2+])NCC=C(C)C ZINC000043068915 563166171 /nfs/dbraw/zinc/16/61/71/563166171.db2.gz RLGQMSMDYKBVHI-UHFFFAOYSA-N 3 0 491.813 5.418 1 0 JKAFRP 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 563172100 /nfs/dbraw/zinc/17/21/00/563172100.db2.gz VDFRKVDBZHAYRF-JMNOSLPVSA-N 2 0 469.758 5.173 1 0 JKAFRP C[NH2+][C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@H]4[NH2+]CC[C@@H]4C(C)C)C3=CC[C@H]2[C@H]1OC(C)=O ZINC000044406341 563172633 /nfs/dbraw/zinc/17/26/33/563172633.db2.gz RWTFLBCUUBVVCW-YBFSJIKCSA-N 2 0 498.796 6.355 1 0 JKAFRP O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4cc[nH+]cc43)CC2)CC1 ZINC000045166903 563172854 /nfs/dbraw/zinc/17/28/54/563172854.db2.gz IFHAZGIPKKZCOR-DUXPYHPUSA-N 2 0 497.470 6.001 1 0 JKAFRP c1sc(-c2nc3ccccc3[nH]2)cc1-c1cccc(C[NH+]2CCC(CC[NH+]3CCCCC3)CC2)c1 ZINC000045168167 563173617 /nfs/dbraw/zinc/17/36/17/563173617.db2.gz TZNHACOUSJIJOB-UHFFFAOYSA-N 2 0 484.713 7.046 1 0 JKAFRP Fc1ccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)cc3)nc2c1 ZINC000045168873 563173929 /nfs/dbraw/zinc/17/39/29/563173929.db2.gz PQENZNIKJMSNGM-UHFFFAOYSA-N 2 0 463.560 5.753 1 0 JKAFRP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)cc3)CC2)C1 ZINC000045189772 563175278 /nfs/dbraw/zinc/17/52/78/563175278.db2.gz PGYDSQWYZDMGDC-QHCPKHFHSA-N 2 0 485.701 5.418 1 0 JKAFRP C[C@@H](Cc1ccc(OCc2ccc(CC[NH+](C)C)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045191040 563175741 /nfs/dbraw/zinc/17/57/41/563175741.db2.gz CXENNQGJXAZXMT-QFIPXVFZSA-N 2 0 451.054 5.786 1 0 JKAFRP CSc1ccc2ccccc2c1C[NH2+]CCCCCC[NH2+]Cc1c(SC)ccc2ccccc21 ZINC000045194525 563177189 /nfs/dbraw/zinc/17/71/89/563177189.db2.gz YEEBCBRLFMTCFY-UHFFFAOYSA-N 2 0 488.766 7.877 1 0 JKAFRP C[NH+]1CCC(N2CC[NH+](Cc3ccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)s4)cc3)CC2)CC1 ZINC000045195572 563177524 /nfs/dbraw/zinc/17/75/24/563177524.db2.gz IZQORYZDEQHYQE-UHFFFAOYSA-N 2 0 489.664 5.309 1 0 JKAFRP Cc1nc(-c2cccc3c(NC(=O)Nc4ccc5[nH+]ccc(N6CC[NH+](C)CC6)c5c4)cccc23)no1 ZINC000045195848 563177697 /nfs/dbraw/zinc/17/76/97/563177697.db2.gz OKNHYCKPCHECMH-UHFFFAOYSA-N 2 0 493.571 5.142 1 0 JKAFRP FC(F)(F)c1ccc2c(NCCNc3cc[nH+]c4cc(C(F)(F)F)ccc34)cc[nH+]c2c1 ZINC000045201561 563178267 /nfs/dbraw/zinc/17/82/67/563178267.db2.gz GWAYVJDWQBGFED-UHFFFAOYSA-N 2 0 450.386 6.345 1 0 JKAFRP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)cc4)cc3)CC2)C1 ZINC000045202937 563179157 /nfs/dbraw/zinc/17/91/57/563179157.db2.gz LSVGVGAFKYWUPM-DEOSSOPVSA-N 2 0 497.662 5.495 1 0 JKAFRP CCCCNC(=[NH2+])Nc1ccc(OCCCOc2ccc(NC(=[NH2+])NCCCC)cc2)cc1 ZINC000045209749 563179216 /nfs/dbraw/zinc/17/92/16/563179216.db2.gz ZDSNQWIZVLYALH-UHFFFAOYSA-N 2 0 454.619 5.007 1 0 JKAFRP CCCCCC[C@@H]([NH3+])c1ccc(OCCCOc2ccc([C@@H]([NH3+])CCCCCC)cc2)cc1 ZINC000045209923 563179230 /nfs/dbraw/zinc/17/92/30/563179230.db2.gz OQNTYPUFUNWKNL-ISILISOKSA-N 2 0 454.699 7.475 1 0 JKAFRP Fc1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)cc3)nc2c1 ZINC000045227458 563180031 /nfs/dbraw/zinc/18/00/31/563180031.db2.gz LUKCFXSDYFDVFO-UHFFFAOYSA-N 2 0 463.560 5.753 1 0 JKAFRP COc1ccc(CC[NH2+]CCCCCC[NH2+]CCc2ccc(Cl)cc2)c(Cl)c1OC ZINC000045228258 563180437 /nfs/dbraw/zinc/18/04/37/563180437.db2.gz YMDFOMRPXNJUPC-UHFFFAOYSA-N 2 0 453.454 5.535 1 0 JKAFRP Cc1cccc2[nH]c(-c3cccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)c3)nc21 ZINC000045229216 563180666 /nfs/dbraw/zinc/18/06/66/563180666.db2.gz ZTFCTCDBRZXDBQ-UHFFFAOYSA-N 2 0 459.597 5.923 1 0 JKAFRP Cc1cccc(-c2ccc(NC(=O)Nc3ccc4[nH+]ccc(N5CC[NH+](C)CC5)c4c3)cc2C)n1 ZINC000045231115 563181376 /nfs/dbraw/zinc/18/13/76/563181376.db2.gz YOFLYTWRSGFIGR-UHFFFAOYSA-N 2 0 466.589 5.309 1 0 JKAFRP CCN(CC)C(=O)c1ccc(N(c2cccc(C[NH2+]C)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045284518 563183708 /nfs/dbraw/zinc/18/37/08/563183708.db2.gz UQEOWNUYEQULCL-UHFFFAOYSA-N 2 0 484.688 5.691 1 0 JKAFRP C[NH2+]CCCCCCOc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000045302253 563186097 /nfs/dbraw/zinc/18/60/97/563186097.db2.gz YQXBIEINTVBLLB-YADARESESA-N 2 0 452.561 5.118 1 0 JKAFRP C[NH2+]CCCCCCOc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000045302252 563186191 /nfs/dbraw/zinc/18/61/91/563186191.db2.gz YQXBIEINTVBLLB-DVECYGJZSA-N 2 0 452.561 5.118 1 0 JKAFRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4cccc(-c5nc6ccccc6[nH]5)c4)cc3)CC2)C1 ZINC000045302700 563186660 /nfs/dbraw/zinc/18/66/60/563186660.db2.gz MUOIEZRMKINTIP-RUZDIDTESA-N 2 0 479.672 5.356 1 0 JKAFRP COc1cccc(C[N@@H+]2Cc3ccccc3OC3(CC[NH+](Cc4c[nH]c5cnccc45)CC3)C2)c1 ZINC000045303186 563187040 /nfs/dbraw/zinc/18/70/40/563187040.db2.gz QYDKZYQNSSGAFC-UHFFFAOYSA-N 2 0 468.601 5.001 1 0 JKAFRP CC(C)C[NH2+]Cc1ccc(-c2cccc(CN(CC[NH+](C)C)C(=O)CCC3CCCC3)c2)cc1 ZINC000045334862 563189780 /nfs/dbraw/zinc/18/97/80/563189780.db2.gz CMMCSLSDIJDJHG-UHFFFAOYSA-N 2 0 463.710 5.960 1 0 JKAFRP C[N@@H+]1CC[C@@H](Oc2ccc(C[NH+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)c3ccccc23)C1 ZINC000045335248 563189930 /nfs/dbraw/zinc/18/99/30/563189930.db2.gz BGJHGEYJHLEEBW-LEWJYISDSA-N 2 0 498.454 5.234 1 0 JKAFRP O=C(N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000045339064 563190955 /nfs/dbraw/zinc/19/09/55/563190955.db2.gz MHPUCGCJCGYKBB-QFIPXVFZSA-N 2 0 490.475 5.253 1 0 JKAFRP CC(C)(C)CCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCC(C)(C)C)cc2)cc1 ZINC000045349097 563191568 /nfs/dbraw/zinc/19/15/68/563191568.db2.gz PIJAJQHAOATPAT-UHFFFAOYSA-N 2 0 494.852 8.820 1 0 JKAFRP CCCCCc1cccc[n+]1CCCCCCCCCCCC[n+]1ccccc1CCCCC ZINC000045354060 563192144 /nfs/dbraw/zinc/19/21/44/563192144.db2.gz KALDARNTROMJNV-UHFFFAOYSA-N 2 0 466.798 8.328 1 0 JKAFRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4csc(-c5nc6ccccc6[nH]5)c4)c3)CC2)C1 ZINC000045355920 563192349 /nfs/dbraw/zinc/19/23/49/563192349.db2.gz FIKJWVAKCOLNCB-HSZRJFAPSA-N 2 0 485.701 5.418 1 0 JKAFRP C[NH+]1CCC([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000045356051 563192385 /nfs/dbraw/zinc/19/23/85/563192385.db2.gz KGQXWNGARPKIIX-JGCGQSQUSA-N 2 0 481.684 5.436 1 0 JKAFRP NC(=[NH2+])c1cc2c(cccc2O[C@H](COC(=O)Nc2ccccc2C[NH3+])c2ccccc2)s1 ZINC000045368420 563193432 /nfs/dbraw/zinc/19/34/32/563193432.db2.gz FAKOUAJYWRNFEF-OAQYLSRUSA-N 2 0 460.559 5.013 1 0 JKAFRP Clc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000045391972 563195204 /nfs/dbraw/zinc/19/52/04/563195204.db2.gz AUGSRYPBJRGKTN-HZPDHXFCSA-N 2 0 460.276 6.986 1 0 JKAFRP Cc1cccc2cc(C[NH2+]C34CC5CC(CC(C5)C3)C4)c(N3CCC([NH+]4CCC(O)CC4)CC3)nc12 ZINC000045394053 563195263 /nfs/dbraw/zinc/19/52/63/563195263.db2.gz YJJZYVOSEHLXAM-UHFFFAOYSA-N 2 0 488.720 5.027 1 0 JKAFRP Clc1ccc([C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccc(Cl)c(Cl)c4)C2[NH2+]CC3)cc1Cl ZINC000045498170 563196192 /nfs/dbraw/zinc/19/61/92/563196192.db2.gz MNNWEZCFQBFYRP-DLKVDTICSA-N 2 0 498.325 7.548 1 0 JKAFRP c1ccc(CC[N@@H+]2CCC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000058480507 563206552 /nfs/dbraw/zinc/20/65/52/563206552.db2.gz JGKWIPJMQHYKTO-AOQDKHGRSA-N 2 0 464.697 6.890 1 0 JKAFRP FC(F)(F)c1cccc([C@@H]2C[N@@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1 ZINC000058509645 563206787 /nfs/dbraw/zinc/20/67/87/563206787.db2.gz VKNVUSIACZZCCO-UIOOFZCWSA-N 2 0 458.568 6.243 1 0 JKAFRP CC[C@H](C)c1nc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000058669040 563208666 /nfs/dbraw/zinc/20/86/66/563208666.db2.gz VAFXSZNDHFVLNK-IBGZPJMESA-N 2 0 496.659 5.876 1 0 JKAFRP c1ccc2c(c1)N[C@@H]1CCCCC1=C2[NH2+]CCCCCCCC[NH2+][C@@H]1CC[NH2+][C@H]2CCCC[C@H]12 ZINC000101269335 581091147 /nfs/dbraw/zinc/09/11/47/581091147.db2.gz LVRVQELTVCNPQT-YASYBEMDSA-N 3 0 464.742 6.206 1 0 JKAFRP 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 560071515 /nfs/dbraw/zinc/07/15/15/560071515.db2.gz WBMOHCBEBDKSBI-AXXRKQBWSA-N 2 0 494.745 7.306 1 0 biogenic,in-vitro JKAFRP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]CCCCCCCCCCCC[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000003870445 562929680 /nfs/dbraw/zinc/92/96/80/562929680.db2.gz VFFGYPZORQBRNM-UIOOFZCWSA-N 2 0 494.724 5.598 1 0 in-vivo JKAFRP CC(=O)O[C@H]1[C@@H]([NH+]2CCCCC2)C[C@H]2[C@@H]3CC=C4C[C@@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005540026 562934099 /nfs/dbraw/zinc/93/40/99/562934099.db2.gz ZMYMVZQANNBEGQ-HYAUSYAKSA-N 2 0 468.726 5.810 1 0 JKAFRP c1cc(-c2ccc(C3=[NH+][C@@H]4CCCC[C@@H]4N3)cc2)oc1-c1ccc(C2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000006040285 562936563 /nfs/dbraw/zinc/93/65/63/562936563.db2.gz ZGJGWFQQOVEGLB-POTDNYQPSA-N 2 0 464.613 5.936 1 0 JKAFRP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 ZINC000008597786 562944779 /nfs/dbraw/zinc/94/47/79/562944779.db2.gz XESLELFDMKKFKL-JOCHJYFZSA-N 2 0 475.077 5.144 1 0 JKAFRP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 ZINC000008597783 562944819 /nfs/dbraw/zinc/94/48/19/562944819.db2.gz XESLELFDMKKFKL-QFIPXVFZSA-N 2 0 475.077 5.144 1 0 JKAFRP 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 562961273 /nfs/dbraw/zinc/96/12/73/562961273.db2.gz JRVWIILYWSBUMC-CMWZJFIZSA-N 2 0 475.633 5.113 1 0 JKAFRP c1cc2c[n+](c1)CCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCC2 ZINC000013430324 562962350 /nfs/dbraw/zinc/96/23/50/562962350.db2.gz CVJGOXTUHXIHPC-UHFFFAOYSA-N 2 0 492.836 8.862 1 0 JKAFRP CCC[N@H+](CCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)[C@@H]1CCc2ccc(O)cc2C1 ZINC000013438632 562962668 /nfs/dbraw/zinc/96/26/68/562962668.db2.gz HUTRNXILWVFUDE-HSZRJFAPSA-N 2 0 490.519 5.871 1 0 JKAFRP C[NH+](C)Cc1ccc(CSCCCCCCCCSCc2ccc(C[NH+](C)C)o2)o1 ZINC000013452585 562964835 /nfs/dbraw/zinc/96/48/35/562964835.db2.gz CINOACUWPXQJTR-UHFFFAOYSA-N 2 0 452.730 6.503 1 0 JKAFRP [NH3+]CCOc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000013557711 562973937 /nfs/dbraw/zinc/97/39/37/562973937.db2.gz QIWBRBIMBBWQOS-UHFFFAOYSA-N 2 0 472.654 5.971 1 0 JKAFRP CCC(=O)N(CCCCCCCCCCCCNC(N)=[NH2+])C1CC[NH+](CCc2ccccc2)CC1 ZINC000013588989 562977847 /nfs/dbraw/zinc/97/78/47/562977847.db2.gz VVEBDJNZNHXLME-UHFFFAOYSA-N 2 0 485.761 5.316 1 0 JKAFRP Cc1c(-c2ccc(SCC[NH+](C)C)cc2)ncnc1-c1ccc(SCC[NH+](C)C)cc1 ZINC000013649264 562980925 /nfs/dbraw/zinc/98/09/25/562980925.db2.gz TWJUYELWUWEQNE-UHFFFAOYSA-N 2 0 452.693 5.426 1 0 JKAFRP CN(C)c1cc[n+](CCCCCCCCCC[n+]2ccc(N(C)C)c3ccccc32)c2ccccc12 ZINC000013743185 562987658 /nfs/dbraw/zinc/98/76/58/562987658.db2.gz WKUWQOOBTXYONE-UHFFFAOYSA-N 2 0 484.732 6.521 1 0 JKAFRP c1[nH]c2ccc(-n3cnnc3)cc2c1CCC[NH+]1CCC([N@@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000013802564 562994519 /nfs/dbraw/zinc/99/45/19/562994519.db2.gz WGWBIIDCWJHIOA-GDLZYMKVSA-N 2 0 468.649 5.373 1 0 JKAFRP OC1(CCCc2ccccc2)CC[NH+](C[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013819404 562997164 /nfs/dbraw/zinc/99/71/64/562997164.db2.gz VSVCTEVBQPUVMW-IOWSJCHKSA-N 2 0 474.733 6.132 1 0 JKAFRP OC1(CCCc2ccccn2)CC[NH+](C[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013819412 562997246 /nfs/dbraw/zinc/99/72/46/562997246.db2.gz CIZRLPXJAHENGW-MFMCTBQISA-N 2 0 475.721 5.527 1 0 JKAFRP [NH3+]CCCCC[NH+]1CCN(c2ccc(-c3ccccc3)cc2NC(=O)c2cccc3ccccc32)CC1 ZINC000014962026 563008450 /nfs/dbraw/zinc/00/84/50/563008450.db2.gz PZHWVACDFBHKQI-UHFFFAOYSA-N 2 0 492.667 6.010 1 0 JKAFRP CC[C@H](C)C1=[NH+]C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](CC3=CC[C@@H]2N1)C(=O)C[C@]1(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]41C ZINC000014969963 563009669 /nfs/dbraw/zinc/00/96/69/563009669.db2.gz UJEITHAGAPDLTG-JYEUPPAVSA-N 2 0 497.768 5.088 1 0 JKAFRP c1cc2c[n+](c1)CCCC/C=C/CCCCCCc1ccc[n+](c1)CCCCCCCCCCCC2 ZINC000026578073 563030974 /nfs/dbraw/zinc/03/09/74/563030974.db2.gz NYZBYSZQLULYBV-XVNBXDOJSA-N 2 0 490.820 8.638 1 0 JKAFRP [NH2+]=C(NC1CCCCC1)c1ccc(N2CCN(c3ccc(C(=[NH2+])NC4CCCCC4)cc3)CC2)cc1 ZINC000026649979 563032080 /nfs/dbraw/zinc/03/20/80/563032080.db2.gz JYIPIRKUSSJPNB-UHFFFAOYSA-N 2 0 486.708 5.509 1 0 JKAFRP C[N@H+](C[C@@H](CC[NH+]1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)CC1CCCCC1 ZINC000026845469 563037038 /nfs/dbraw/zinc/03/70/38/563037038.db2.gz VCBMVUPAVJTUCJ-WJOKGBTCSA-N 2 0 476.749 6.522 1 0 JKAFRP C[C@@H]([NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC000027642321 563048127 /nfs/dbraw/zinc/04/81/27/563048127.db2.gz NYPWBGDKIJWOGZ-KAYWLYCHSA-N 4 0 452.731 5.598 1 0 JKAFRP C[C@H](CC[NH2+]CCCCCCC[NH2+]CC[C@@H](C)[NH2+]Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000027645128 563048339 /nfs/dbraw/zinc/04/83/39/563048339.db2.gz FUXYCKVJIZSGRO-KAYWLYCHSA-N 4 0 452.731 5.253 1 0 JKAFRP C[NH+](C)Cc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027864377 563052322 /nfs/dbraw/zinc/05/23/22/563052322.db2.gz ICWPBNXQGMVQIX-UHFFFAOYSA-N 2 0 470.682 6.695 1 0 JKAFRP CC(=[NH2+])N1CCC(Oc2ccc3nc(C(C)C)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000028087207 563055515 /nfs/dbraw/zinc/05/55/15/563055515.db2.gz LOITXWAIWLBDGR-UHFFFAOYSA-N 2 0 482.632 5.486 1 0 JKAFRP CC[N@H+](CCCNC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CCC1CCCCC1 ZINC000028135012 563057483 /nfs/dbraw/zinc/05/74/83/563057483.db2.gz KKWSXAKXLQLJIX-UHFFFAOYSA-N 2 0 475.765 6.555 1 0 JKAFRP FC(F)(F)c1ccc([C@H](C[NH2+]CCc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523050 563066696 /nfs/dbraw/zinc/06/66/96/563066696.db2.gz BRYYHLGRUGDGBG-SANMLTNESA-N 2 0 459.600 5.529 1 0 JKAFRP COc1ccc([C@H](C[NH2+]CCc2cc(Cl)cc(Cl)c2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523973 563067051 /nfs/dbraw/zinc/06/70/51/563067051.db2.gz IVBOWJNCCCSGMB-MHZLTWQESA-N 2 0 490.519 5.826 1 0 JKAFRP 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 563071014 /nfs/dbraw/zinc/07/10/14/563071014.db2.gz WBMOHCBEBDKSBI-VPPDKMPWSA-N 2 0 494.745 7.306 1 0 JKAFRP c1ccc2cc(CCC[NH2+]CCCC[NH2+]CCC[NH2+]CCCc3ccc4ccccc4c3)ccc2c1 ZINC000028641313 563072527 /nfs/dbraw/zinc/07/25/27/563072527.db2.gz OWIOWMSXLCGYLW-UHFFFAOYSA-N 3 0 481.728 6.498 1 0 JKAFRP Cc1ccc([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CC[NH+](C)CC2)cc1 ZINC000028646219 563073309 /nfs/dbraw/zinc/07/33/09/563073309.db2.gz XZBKLRRYJOUOQG-JGCGQSQUSA-N 2 0 484.732 5.077 1 0 JKAFRP c1cc(CCCC[NH2+]Cc2ccccc2)sc1CCCCCCCC[NH2+]Cc1ccccc1 ZINC000028652574 563074059 /nfs/dbraw/zinc/07/40/59/563074059.db2.gz HLJGJYAZSUBZNW-UHFFFAOYSA-N 2 0 462.747 7.534 1 0 JKAFRP COc1ccc([C@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCC(C(F)(F)F)CC4)ccc32)cc1 ZINC000028818056 563080077 /nfs/dbraw/zinc/08/00/77/563080077.db2.gz STQJDUUWFXFIQR-RUZDIDTESA-N 2 0 462.556 5.316 1 0 JKAFRP COC(=O)C[C@H]1c2ccccc2[NH+]=C(N(C)CCCCC[NH+](C)C)N1c1ccc(-c2ccccc2)cc1 ZINC000028824847 563081978 /nfs/dbraw/zinc/08/19/78/563081978.db2.gz WSNHBKIWKNYYGN-LJAQVGFWSA-N 2 0 498.671 6.129 1 0 JKAFRP CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4cccc(C[NH+]5CCCCC5)c4)ccc32)cc1 ZINC000028827064 563082750 /nfs/dbraw/zinc/08/27/50/563082750.db2.gz HAUQDPMQHAJUER-LJAQVGFWSA-N 2 0 458.671 6.764 1 0 JKAFRP CSc1ccc([C@H]2C[N@H+](C)Cc3cccc(Oc4cccc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827067 563082754 /nfs/dbraw/zinc/08/27/54/563082754.db2.gz RDBZJBIXPLABFL-HHHXNRCGSA-N 2 0 458.671 6.764 1 0 JKAFRP CSc1ccc([C@@H]2C[N@H+](C)Cc3cccc(Oc4cncc(C[NH+]5CCCCC5)c4)c32)cc1 ZINC000028827074 563082783 /nfs/dbraw/zinc/08/27/83/563082783.db2.gz QDKMCOBSBCRFOL-SANMLTNESA-N 2 0 459.659 6.159 1 0 JKAFRP CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4ccc(C[NH+]5CCCCC5)cc4)ccc32)cc1 ZINC000028827079 563082892 /nfs/dbraw/zinc/08/28/92/563082892.db2.gz XCHACIZNQYTKBT-GDLZYMKVSA-N 2 0 458.671 6.764 1 0 JKAFRP 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 563084460 /nfs/dbraw/zinc/08/44/60/563084460.db2.gz GNBIIUGCLQZEQB-QERBKSRWSA-N 2 0 467.742 5.835 1 0 in-vivo JKAFRP C[NH+](C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000028892771 563085273 /nfs/dbraw/zinc/08/52/73/563085273.db2.gz VANUKJZCLCPEFJ-RUZDIDTESA-N 2 0 464.572 6.032 1 0 JKAFRP C[NH+](C)CC[C@H](Oc1cccc(Br)c1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000028892970 563085307 /nfs/dbraw/zinc/08/53/07/563085307.db2.gz NQHRYUNHBWFEMY-VWLOTQADSA-N 2 0 475.471 5.776 1 0 JKAFRP C[NH+](C)CC[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000028892948 563085309 /nfs/dbraw/zinc/08/53/09/563085309.db2.gz ZTNPNIPEXVPGCQ-VWLOTQADSA-N 2 0 465.465 6.320 1 0 JKAFRP 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 563091569 /nfs/dbraw/zinc/09/15/69/563091569.db2.gz WMQQJXYIZAVGMC-FQLPYIGMSA-N 2 0 497.127 5.219 1 0 JKAFRP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCCC[N@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055915 563093532 /nfs/dbraw/zinc/09/35/32/563093532.db2.gz QRRZAKFYWBRJNH-ROJLCIKYSA-N 2 0 492.748 6.846 1 0 in-vivo JKAFRP CCOc1ccc(Nc2nc3cc(Cl)ccc3c(NCC[NH+](CC)CC)n2)cc1C[NH+](CC)CC ZINC000029204131 563098196 /nfs/dbraw/zinc/09/81/96/563098196.db2.gz YEHDUFLSTOLNLS-UHFFFAOYSA-N 2 0 499.103 6.021 1 0 JKAFRP CCCCCC[NH+]=c1ccn(CCCCCCCCCn2ccc(=[NH+]CCCCCC)cc2)cc1 ZINC000029230459 563099070 /nfs/dbraw/zinc/09/90/70/563099070.db2.gz ILJSZSUFGJTXRN-UHFFFAOYSA-N 2 0 480.785 7.683 1 0 JKAFRP CCCC[C@@H](CC)C[NH+]=c1ccn(CCCCCCn2ccc(=[NH+]C[C@H](CC)CCCC)cc2)cc1 ZINC000029237865 563099220 /nfs/dbraw/zinc/09/92/20/563099220.db2.gz ANIVHTIEQKBVJX-LOYHVIPDSA-N 2 0 494.812 7.784 1 0 JKAFRP Fc1ccc([NH+]=c2ccn(CCCCCCCCn3ccc(=[NH+]c4ccc(F)cc4)cc3)cc2)cc1 ZINC000029236164 563099226 /nfs/dbraw/zinc/09/92/26/563099226.db2.gz JCXVNXANLRUKKY-UHFFFAOYSA-N 2 0 486.610 7.073 1 0 JKAFRP CCCC[C@@H](CC)C[NH+]=c1ccn(CCCCn2ccc(=[NH+]C[C@H](CC)CCCC)cc2)cc1 ZINC000029237432 563099248 /nfs/dbraw/zinc/09/92/48/563099248.db2.gz RXSINCLOGMRLIF-VSGBNLITSA-N 2 0 466.758 7.004 1 0 JKAFRP CCCC[C@@H](CC)C[NH+]=c1ccn(CCCCCn2ccc(=[NH+]C[C@H](CC)CCCC)cc2)cc1 ZINC000029235058 563099251 /nfs/dbraw/zinc/09/92/51/563099251.db2.gz UTJKFUDZLYHIEY-FQLXRVMXSA-N 2 0 480.785 7.394 1 0 JKAFRP 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 563108433 /nfs/dbraw/zinc/10/84/33/563108433.db2.gz OHLRJZOLGDLFBC-QRRBZYCPSA-N 2 0 459.634 5.408 1 0 JKAFRP c1ccc(CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccn3)cc2)[C@@H]2CCCc3cccnc32)nc1 ZINC000033974908 563111456 /nfs/dbraw/zinc/11/14/56/563111456.db2.gz MXYQOQASCBNUDZ-GDLZYMKVSA-N 2 0 463.629 5.284 1 0 JKAFRP C[NH+]1CCN(c2cc[nH+]c3ccc(NC(=O)Cc4ccc(-c5ccncc5)c5ccccc45)cc32)CC1 ZINC000034025478 563111790 /nfs/dbraw/zinc/11/17/90/563111790.db2.gz SQLHLGQQKSPFPN-UHFFFAOYSA-N 2 0 487.607 5.383 1 0 JKAFRP C[NH+](C)CCCN(CCCN1c2ccccc2Sc2ccc(Cl)cc21)CCC[NH+](C)C ZINC000034074155 563112004 /nfs/dbraw/zinc/11/20/04/563112004.db2.gz CMFXCVWHDLLJSX-UHFFFAOYSA-N 2 0 461.119 5.538 1 0 JKAFRP Cc1cccc(N2CC[NH+](CCCCCC[NH+]3CCN(c4cc[nH+]c5ccccc54)CC3)CC2)c1 ZINC000038217458 563133254 /nfs/dbraw/zinc/13/32/54/563133254.db2.gz YVYMJYSSXPEYLE-UHFFFAOYSA-N 3 0 471.693 5.048 1 0 JKAFRP Cc1cc(N)c2cc(NC(=O)c3cccc(C(=O)Nc4ccc5[nH+]c(C)cc(N)c5c4)c3)ccc2[nH+]1 ZINC000038472428 563134771 /nfs/dbraw/zinc/13/47/71/563134771.db2.gz UNPNBGNPTXFHDS-UHFFFAOYSA-N 2 0 476.540 5.069 1 0 JKAFRP O=C(CCC[NH+]1CCCCC1)c1ccc2[nH]c3ccc(C(=O)CCC[NH+]4CCCCC4)cc3c2c1 ZINC000039208127 563136357 /nfs/dbraw/zinc/13/63/57/563136357.db2.gz JHWHPVUHGJHSER-UHFFFAOYSA-N 2 0 473.661 6.219 1 0 JKAFRP C[NH+](C)C12C[C@@H](OC(=O)CC[NH+]3CCCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040402347 563139630 /nfs/dbraw/zinc/13/96/30/563139630.db2.gz UPRJRCVAPDDNFX-FEVPWDCHSA-N 2 0 460.662 5.456 1 0 JKAFRP CC(C)NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(=[NH2+])NC(C)C)c(F)c2)cc1F ZINC000040430926 563143708 /nfs/dbraw/zinc/14/37/08/563143708.db2.gz YPMHUNVHJVFLCN-UHFFFAOYSA-N 2 0 460.569 5.240 1 0 JKAFRP CC(C)[NH+](CC[C@](CCC[NH+]1CC2CCC(CC2)C1)(C(N)=O)c1ccccc1Cl)C(C)C ZINC000040632555 563147098 /nfs/dbraw/zinc/14/70/98/563147098.db2.gz QFXOHPUXERPHSH-GMKWRKAISA-N 2 0 462.122 5.474 1 0 JKAFRP c1cc(NC2=[NH+]CCN2)ccc1CCCCCCCCCCCCc1ccc(NC2=[NH+]CCN2)cc1 ZINC000040822984 563148856 /nfs/dbraw/zinc/14/88/56/563148856.db2.gz RBSLLAYVDZVGRL-UHFFFAOYSA-N 2 0 488.724 6.115 1 0 JKAFRP FC(F)(F)c1ccc2c(N[C@@H](c3ccc(Cl)cc3)c3ccc(C[NH+]4CCCC4)cc3)cc[nH+]c2c1 ZINC000040975907 563161923 /nfs/dbraw/zinc/16/19/23/563161923.db2.gz SDRGJPGAQJVMNX-HHHXNRCGSA-N 2 0 495.976 7.704 1 0 JKAFRP COc1ccc2[nH+]ccc(N[C@@H](c3ccc(Cl)cc3)c3ccc(C[NH+]4CCCC4)cc3)c2c1 ZINC000040975755 563161962 /nfs/dbraw/zinc/16/19/62/563161962.db2.gz ZPQCQSBWSHMMGA-MUUNZHRXSA-N 2 0 458.005 6.694 1 0 JKAFRP C[NH+](C)C12C[C@H](c3ccc(Cl)c(Cl)c3)C([NH2+]CC1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000042878477 563163211 /nfs/dbraw/zinc/16/32/11/563163211.db2.gz XQXDLYHIFUDHML-KILAXVPQSA-N 2 0 458.260 6.624 1 0 JKAFRP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)cc3)nc21 ZINC000045187261 563174287 /nfs/dbraw/zinc/17/42/87/563174287.db2.gz WOPLTGYYIBUKPK-UHFFFAOYSA-N 2 0 459.597 5.923 1 0 JKAFRP CCOc1ccc2ccccc2c1C[NH2+]CCCCCC[NH2+]Cc1c(OCC)ccc2ccccc21 ZINC000045189976 563175406 /nfs/dbraw/zinc/17/54/06/563175406.db2.gz KYJPQXJDICBEFB-UHFFFAOYSA-N 2 0 484.684 7.230 1 0 JKAFRP O=S(=O)(Nc1cccc(CC[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1)c1cccc2ccccc21 ZINC000045190501 563175594 /nfs/dbraw/zinc/17/55/94/563175594.db2.gz BUDJFHXEVXTTSN-MHZLTWQESA-N 2 0 491.701 5.524 1 0 JKAFRP c1[nH]c2ccccc2c1C1CC[NH+](CCCCOc2ccc3c(c2)CC[N@H+](C2CCC2)CC3)CC1 ZINC000045190899 563175649 /nfs/dbraw/zinc/17/56/49/563175649.db2.gz ZHZIAOKRTRZGEY-UHFFFAOYSA-N 2 0 471.689 6.160 1 0 JKAFRP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(C6CC[NH+](C)CC6)CC5)cc4)s3)nc21 ZINC000045191626 563175924 /nfs/dbraw/zinc/17/59/24/563175924.db2.gz AUAGHRNWOPDKFF-UHFFFAOYSA-N 2 0 485.701 5.479 1 0 JKAFRP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)CC2)C1 ZINC000045192134 563176170 /nfs/dbraw/zinc/17/61/70/563176170.db2.gz MHRPYJRWKGMEQC-VWLOTQADSA-N 2 0 479.672 5.356 1 0 JKAFRP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(C[C@H]6CCC[N@@H+](C)C6)CC5)cc4)cc3)nc21 ZINC000045193493 563176621 /nfs/dbraw/zinc/17/66/21/563176621.db2.gz IDTRJMKYLHJUDY-SANMLTNESA-N 2 0 493.699 5.665 1 0 JKAFRP c1cc(-c2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2)sc1-c1nc2ccccc2[nH]1 ZINC000045193854 563176865 /nfs/dbraw/zinc/17/68/65/563176865.db2.gz JTUBYORNMKLARP-UHFFFAOYSA-N 2 0 451.599 5.676 1 0 JKAFRP COc1cc2c(cc1CC[NH2+]CCCC[NH2+]CCc1cc3c(cc1OC)CCCC3)CCCC2 ZINC000045193916 563176907 /nfs/dbraw/zinc/17/69/07/563176907.db2.gz KHAMSCZQDQXELK-UHFFFAOYSA-N 2 0 464.694 5.206 1 0 JKAFRP C[NH+]1CCC(N2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)cc3)CC2)CC1 ZINC000045194263 563176969 /nfs/dbraw/zinc/17/69/69/563176969.db2.gz KQLPEJIPSRFCNM-UHFFFAOYSA-N 2 0 471.674 5.170 1 0 JKAFRP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)s3)nc21 ZINC000045201796 563178488 /nfs/dbraw/zinc/17/84/88/563178488.db2.gz UYXGPTCHAMIDSL-UHFFFAOYSA-N 2 0 465.626 5.984 1 0 JKAFRP C[N@H+](Cc1ccncc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 ZINC000045202337 563178695 /nfs/dbraw/zinc/17/86/95/563178695.db2.gz ZNRYLXQDUNYDAC-SANMLTNESA-N 2 0 450.026 5.396 1 0 JKAFRP CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(CC[NH+](C)C)C(=O)NCCc3ccccc3)c2)c1 ZINC000045202807 563178985 /nfs/dbraw/zinc/17/89/85/563178985.db2.gz WGBQPDQVAGZUEE-UHFFFAOYSA-N 2 0 486.704 5.415 1 0 JKAFRP CCCCCC[C@H]([NH3+])c1ccc(OCCCOc2ccc([C@@H]([NH3+])CCCCCC)cc2)cc1 ZINC000045209931 563179222 /nfs/dbraw/zinc/17/92/22/563179222.db2.gz OQNTYPUFUNWKNL-VMPREFPWSA-N 2 0 454.699 7.475 1 0 JKAFRP [NH3+]Cc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)cc1 ZINC000045210318 563179349 /nfs/dbraw/zinc/17/93/49/563179349.db2.gz JUCJGUGZQOIGFV-UHFFFAOYSA-N 2 0 486.541 6.664 1 0 JKAFRP c1ccc(CC[N@@H+]2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045290459 563184847 /nfs/dbraw/zinc/18/48/47/563184847.db2.gz JGKWIPJMQHYKTO-KEANYWJXSA-N 2 0 464.697 6.890 1 0 JKAFRP CCOc1ccc(C[NH2+]CCCCCC[NH2+]Cc2ccc(OCC)c3ccccc23)c2ccccc12 ZINC000045301193 563185647 /nfs/dbraw/zinc/18/56/47/563185647.db2.gz KTHSHIJQGJHFLF-UHFFFAOYSA-N 2 0 484.684 7.230 1 0 JKAFRP O=C(C=Cc1ccccc1Cl)NC1CCC(C[NH+]2CCC(c3c[nH]c4cc[nH+]cc43)CC2)CC1 ZINC000045302802 563186696 /nfs/dbraw/zinc/18/66/96/563186696.db2.gz KVZRLFGGDQYMDE-JXMROGBWSA-N 2 0 477.052 5.784 1 0 JKAFRP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4cccc(-c5nc6ccccc6[nH]5)c4)cc3)CC2)C1 ZINC000045302699 563186715 /nfs/dbraw/zinc/18/67/15/563186715.db2.gz MUOIEZRMKINTIP-VWLOTQADSA-N 2 0 479.672 5.356 1 0 JKAFRP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4cccc(-c5nc6cc(F)ccc6[nH]5)c4)cc3)CC2)C1 ZINC000045324508 563189162 /nfs/dbraw/zinc/18/91/62/563189162.db2.gz WOYKSHGQBKORJV-DEOSSOPVSA-N 2 0 497.662 5.495 1 0 JKAFRP C[N@@H+]1CC[C@H](Oc2ccc(C[NH+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)c3ccccc23)C1 ZINC000045335245 563189903 /nfs/dbraw/zinc/18/99/03/563189903.db2.gz BGJHGEYJHLEEBW-SFTDATJTSA-N 2 0 498.454 5.234 1 0 JKAFRP Brc1ccc(C[NH2+]C[C@H]2CCC[C@H](C[NH2+]Cc3ccc(Br)cc3)C2)cc1 ZINC000045366746 563193101 /nfs/dbraw/zinc/19/31/01/563193101.db2.gz UULWMSWIFNCUOY-PMACEKPBSA-N 2 0 480.288 5.897 1 0 JKAFRP Brc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C[NH2+]Cc3ccc(Br)cc3)C2)cc1 ZINC000045366749 563193134 /nfs/dbraw/zinc/19/31/34/563193134.db2.gz UULWMSWIFNCUOY-WOJBJXKFSA-N 2 0 480.288 5.897 1 0 JKAFRP Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)c4)s3)nc21 ZINC000045338859 563190873 /nfs/dbraw/zinc/19/08/73/563190873.db2.gz JWLNNOVHVVYBLC-UHFFFAOYSA-N 2 0 498.740 7.355 1 0 JKAFRP Brc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C[NH2+]Cc3ccc(Br)cc3)C2)cc1 ZINC000045366742 563193161 /nfs/dbraw/zinc/19/31/61/563193161.db2.gz UULWMSWIFNCUOY-BGYRXZFFSA-N 2 0 480.288 5.897 1 0 JKAFRP c1ccc(C[NH2+]CCN(Cc2ccc(C[NH2+]Cc3ccccn3)cc2)[C@@H]2CCCc3cccnc32)cc1 ZINC000049071413 563201379 /nfs/dbraw/zinc/20/13/79/563201379.db2.gz VPHPNWIYBHWZEE-WJOKGBTCSA-N 2 0 491.683 5.436 1 0 JKAFRP CCCc1nc(-c2ccccc2)c(C[NH2+]CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000053295624 563205657 /nfs/dbraw/zinc/20/56/57/563205657.db2.gz NESWHGRJBVTWRA-UHFFFAOYSA-N 2 0 494.683 5.791 1 0 JKAFRP C[NH+](C)C12C[C@H](c3ccc(Cl)cc3)C([C@@H](c3ccc(Cl)cc3)C1)[N@H+](CCc1ccccc1)CC2 ZINC000058487632 563206578 /nfs/dbraw/zinc/20/65/78/563206578.db2.gz FQCWPRLQQZITFX-FSOBKABBSA-N 2 0 493.522 7.272 1 0 JKAFRP