smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1cc(C[NH2+]Cc2cccc(NC(=[NH2+])c3cccs3)c2)cc(C(C)(C)C)c1O ZINC000013487051 562989335 /nfs/dbraw/zinc/98/93/35/562989335.db2.gz BWMPLHAVBZBXKV-UHFFFAOYSA-N 2 2 449.664 6.776 1 0 IKAFLP Cc1cc[nH+]c(N2CC[NH+](CCc3c4cccc5c4n(c3-c3ccccc3)CCC5)CC2)c1 ZINC000013740413 563002999 /nfs/dbraw/zinc/00/29/99/563002999.db2.gz IIRNIZBILWYFCZ-UHFFFAOYSA-N 2 2 436.603 5.323 1 0 IKAFLP CCCC[C@H]1CCc2cccc3c(CC[NH+]4CCN(c5cc(C)cc[nH+]5)CC4)c(C)n1c32 ZINC000013740441 563003035 /nfs/dbraw/zinc/00/30/35/563003035.db2.gz FGEJWVXINYCXIR-DEOSSOPVSA-N 2 2 430.640 5.695 1 0 IKAFLP C[C@@H]([NH2+]C1CC[NH+](CCCc2c[nH]c3ccc(-n4cc[nH+]c4)cc23)CC1)c1ccccc1 ZINC000013802571 563007984 /nfs/dbraw/zinc/00/79/84/563007984.db2.gz MIEAXBUEPZRDHB-OAQYLSRUSA-N 3 2 427.596 5.101 1 0 IKAFLP C[C@@H](CCCNc1cc[nH+]c2cc(Cl)ccc12)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000026184404 563029732 /nfs/dbraw/zinc/02/97/32/563029732.db2.gz VJRBAYYYVIPGOD-INIZCTEOSA-N 2 2 439.390 7.030 1 0 IKAFLP C[C@H](CCCNc1cc[nH+]c2cc(Cl)ccc12)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000026184409 563029756 /nfs/dbraw/zinc/02/97/56/563029756.db2.gz VJRBAYYYVIPGOD-MRXNPFEDSA-N 2 2 439.390 7.030 1 0 IKAFLP Clc1ccc2c(N[C@H]3CCCC[C@@H]3Nc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000026252428 563030043 /nfs/dbraw/zinc/03/00/43/563030043.db2.gz LISWOCWHIAZFSB-VXKWHMMOSA-N 2 2 437.374 6.925 1 0 IKAFLP C[C@@H]([NH2+]C[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026995542 563038859 /nfs/dbraw/zinc/03/88/59/563038859.db2.gz ZRWAMFWDHTXJIW-RLWLMLJZSA-N 2 2 429.007 6.545 1 0 IKAFLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cl)c1cccc2ccccc21 ZINC000027077160 563039028 /nfs/dbraw/zinc/03/90/28/563039028.db2.gz BXUXAOCUFNDQLK-OFVILXPXSA-N 2 2 429.007 6.545 1 0 IKAFLP Clc1ccc2c(NCCOCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000027435821 563042339 /nfs/dbraw/zinc/04/23/39/563042339.db2.gz QFHWVQIBNPURLV-UHFFFAOYSA-N 2 2 427.335 5.630 1 0 IKAFLP Clc1ccc2c(NCCC[NH2+]CCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000027436662 563042387 /nfs/dbraw/zinc/04/23/87/563042387.db2.gz KCPBIAZJEHWGBR-UHFFFAOYSA-N 3 2 440.378 5.594 1 0 IKAFLP CCC[N@@H+](Cc1c(C)[nH+]c2n1c1cc(F)ccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028462005 563055192 /nfs/dbraw/zinc/05/51/92/563055192.db2.gz ZWETYKGFUQLXAP-UHFFFAOYSA-N 2 2 432.587 6.273 1 0 IKAFLP CCC[N@H+](Cc1c(C)[nH+]c2n1c1cc(F)ccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028462005 563055193 /nfs/dbraw/zinc/05/51/93/563055193.db2.gz ZWETYKGFUQLXAP-UHFFFAOYSA-N 2 2 432.587 6.273 1 0 IKAFLP Clc1cccc([C@](c2ccccc2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)c1 ZINC000028604052 563059659 /nfs/dbraw/zinc/05/96/59/563059659.db2.gz JMWJHHSZIGXYTI-MHZLTWQESA-N 2 2 427.979 5.973 1 0 IKAFLP Fc1ccc([C@@](c2ccc(Cl)cc2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)cc1 ZINC000029134935 563076133 /nfs/dbraw/zinc/07/61/33/563076133.db2.gz XMDSHDUITWWPPB-MHZLTWQESA-N 2 2 445.969 6.112 1 0 IKAFLP Clc1cccc([C@](c2ccncc2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)c1 ZINC000029135624 563076234 /nfs/dbraw/zinc/07/62/34/563076234.db2.gz GDBUZJROAYJSEO-AREMUKBSSA-N 2 2 428.967 5.368 1 0 IKAFLP COc1cccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000029563265 563082381 /nfs/dbraw/zinc/08/23/81/563082381.db2.gz SYFBGZRZCGJUEH-UHFFFAOYSA-N 2 2 440.591 5.212 1 0 IKAFLP C[C@@H](Cc1ccccc1)[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029565246 563082605 /nfs/dbraw/zinc/08/26/05/563082605.db2.gz BKAOISZSELRNGD-NRFANRHFSA-N 2 2 442.582 5.731 1 0 IKAFLP COc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000029568596 563082829 /nfs/dbraw/zinc/08/28/29/563082829.db2.gz GIYFBXCUCPHTPT-UHFFFAOYSA-N 2 2 440.591 5.212 1 0 IKAFLP C[C@@H](c1ccc(F)cc1)n1c2ccccc2[nH+]c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000029569222 563082970 /nfs/dbraw/zinc/08/29/70/563082970.db2.gz ZJCNMXJGFOYQRQ-NRFANRHFSA-N 2 2 442.582 5.904 1 0 IKAFLP Fc1ccc(Cn2c3cc(F)ccc3[nH+]c2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029569549 563082973 /nfs/dbraw/zinc/08/29/73/563082973.db2.gz NSXAHZBPUKVOSP-UHFFFAOYSA-N 2 2 446.545 5.482 1 0 IKAFLP Fc1ccc(Cn2c3ccc(F)cc3[nH+]c2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029571891 563083055 /nfs/dbraw/zinc/08/30/55/563083055.db2.gz HGWKTVUBSUHVSG-UHFFFAOYSA-N 2 2 446.545 5.482 1 0 IKAFLP FC(F)(F)c1cccc(N2CC[NH+](CCCCNc3ccc4ccccc4[nH+]3)CC2)c1 ZINC000035880231 563090255 /nfs/dbraw/zinc/09/02/55/563090255.db2.gz AMDRAFDQLSKJMW-UHFFFAOYSA-N 2 2 428.502 5.268 1 0 IKAFLP CC(C)[NH+]1CCN(Cc2cc(Nc3cc[nH+]c4cc(Cl)ccc34)ccc2Cl)CC1 ZINC000040405807 563101289 /nfs/dbraw/zinc/10/12/89/563101289.db2.gz WEVWEYJRYRWKRU-UHFFFAOYSA-N 2 2 429.395 5.811 1 0 IKAFLP CC(C)(C)c1ccc(-c2[nH]c3c(cccc3N3CC[NH+](Cc4cccs4)CC3)[nH+]2)cc1 ZINC000040429954 563103284 /nfs/dbraw/zinc/10/32/84/563103284.db2.gz PSPJERCZIISKSG-UHFFFAOYSA-N 2 2 430.621 5.911 1 0 IKAFLP COc1cc2c(cc1C[NH2+][C@H]1CCC[NH2+][C@H]1c1ccccc1)[C@@](C)(C(F)(F)F)CCC2 ZINC000040918927 563111937 /nfs/dbraw/zinc/11/19/37/563111937.db2.gz PRBFCWQZDUFTDN-XWGVYQGASA-N 2 2 432.530 5.434 1 0 IKAFLP COc1cc2c(cc1C[NH2+][C@H]1CCC[NH2+][C@H]1c1ccccc1)[C@](C)(C(F)(F)F)CCC2 ZINC000040918928 563111972 /nfs/dbraw/zinc/11/19/72/563111972.db2.gz PRBFCWQZDUFTDN-OEMFJLHTSA-N 2 2 432.530 5.434 1 0 IKAFLP Cc1nc(C)c(C[NH+]2CCN(c3cccc4[nH+]c(-c5ccc(C(C)(C)C)cc5)[nH]c43)CC2)o1 ZINC000040954871 563114553 /nfs/dbraw/zinc/11/45/53/563114553.db2.gz ZDEXJNDRVBEXFC-UHFFFAOYSA-N 2 2 443.595 5.454 1 0 IKAFLP COCC[NH2+]Cc1nc(-c2ccc3c(Nc4ccc(Cl)cc4F)cc[nH+]c3c2)cs1 ZINC000045187073 563122765 /nfs/dbraw/zinc/12/27/65/563122765.db2.gz RFYQDFWMIQYRCT-UHFFFAOYSA-N 2 2 442.947 5.630 1 0 IKAFLP Fc1ccc(Nc2cc[nH+]c3cc(-c4ccc(C[NH+]5CCOCC5)o4)ccc23)c(Cl)c1 ZINC000045230036 563126054 /nfs/dbraw/zinc/12/60/54/563126054.db2.gz SDQBDVUXVWLUCG-UHFFFAOYSA-N 2 2 437.902 5.863 1 0 IKAFLP CCN(CCC[NH+]1CCCCC1)c1cc(C)[nH+]c(Nc2cccc(OC(F)(F)F)c2)n1 ZINC000045303047 563129698 /nfs/dbraw/zinc/12/96/98/563129698.db2.gz BLGPMQJOCIFMBF-UHFFFAOYSA-N 2 2 437.510 5.130 1 0 IKAFLP C[C@H](C[NH2+]CC[NH+]1CCCC1)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000045351730 563132342 /nfs/dbraw/zinc/13/23/42/563132342.db2.gz LWMASELEVXMBTL-JVAZTMFWSA-N 2 2 428.705 5.248 1 0 IKAFLP Cc1cc2cc(O)cc3oc(C[C@]4(C)Cc5[nH+]c(C)cc6cc(O)cc(c65)O4)cc([nH+]1)c23 ZINC000049019402 563135502 /nfs/dbraw/zinc/13/55/02/563135502.db2.gz QFASAGFSZZZDBJ-AREMUKBSSA-N 2 2 426.472 5.494 1 0 IKAFLP CCCc1nc(-c2ccccc2)c(C[NH2+]CCC[NH+]2CCN(c3ccc(C)c(C)c3)CC2)o1 ZINC000053296932 563141928 /nfs/dbraw/zinc/14/19/28/563141928.db2.gz RIVFPMOSCDGBFW-UHFFFAOYSA-N 2 2 446.639 5.213 1 0 IKAFLP c1ccc([C@@H]2CC3([NH+]4CCCCC4)C[C@@H]([NH2+]CN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064372866 563152702 /nfs/dbraw/zinc/15/27/02/563152702.db2.gz KQLFFCFQAHHKKO-DXRBEWIESA-N 2 2 443.679 5.604 1 0 IKAFLP c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H]([NH2+]CN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064361340 563152710 /nfs/dbraw/zinc/15/27/10/563152710.db2.gz QVJIOKGQFMBSOE-XBOJNMAYSA-N 2 2 429.652 5.214 1 0 IKAFLP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000066075336 563157399 /nfs/dbraw/zinc/15/73/99/563157399.db2.gz FKZGPBWOYWVDOZ-BGYRXZFFSA-N 2 2 430.436 5.915 1 0 IKAFLP [NH2+]=C(Nc1ccc2c(ccn2CCC[NH2+]C23CC4CC(CC(C4)C2)C3)c1)c1cccs1 ZINC000072106004 563162968 /nfs/dbraw/zinc/16/29/68/563162968.db2.gz YOEBUVWGGARKOJ-UHFFFAOYSA-N 2 2 432.637 6.089 1 0 IKAFLP CC[NH+](CC)c1ccc(Nc2nc(-c3ccc(-n4cc(C)[nH+]c4C)cc3)cs2)c(C)c1 ZINC000095577768 563186505 /nfs/dbraw/zinc/18/65/05/563186505.db2.gz UNYVBWLVJBQFEY-UHFFFAOYSA-N 2 2 431.609 6.511 1 0 IKAFLP CC(C)=Cc1cc2c(CC[NH+]3CCN(c4cc(C)cc[nH+]4)CC3)c(C)n3c2c(c1)CCC3 ZINC000013740427 563003005 /nfs/dbraw/zinc/00/30/05/563003005.db2.gz WJCLFJBLCSSHIK-UHFFFAOYSA-N 2 2 428.624 5.387 1 0 IKAFLP CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000028564855 563057988 /nfs/dbraw/zinc/05/79/88/563057988.db2.gz OYEWEMKJQXRYAD-JWQCQUIFSA-N 2 2 438.562 5.054 1 0 IKAFLP CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC000028564855 563057989 /nfs/dbraw/zinc/05/79/89/563057989.db2.gz OYEWEMKJQXRYAD-JWQCQUIFSA-N 2 2 438.562 5.054 1 0 IKAFLP CCC[N@@H+](Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)CC1CC1 ZINC000028903413 563069166 /nfs/dbraw/zinc/06/91/66/563069166.db2.gz GWPKTYZQUDYQGW-UHFFFAOYSA-N 2 2 436.003 5.874 1 0 IKAFLP CCC[N@H+](Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)CC1CC1 ZINC000028903413 563069167 /nfs/dbraw/zinc/06/91/67/563069167.db2.gz GWPKTYZQUDYQGW-UHFFFAOYSA-N 2 2 436.003 5.874 1 0 IKAFLP Clc1cccc([C@](c2nccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)c1 ZINC000029134826 563076099 /nfs/dbraw/zinc/07/60/99/563076099.db2.gz ZCENRPHEXVLQMR-DEOSSOPVSA-N 2 2 434.996 5.429 1 0 IKAFLP Fc1ccc([C@](c2ccc(Cl)cc2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)cc1 ZINC000029134937 563076136 /nfs/dbraw/zinc/07/61/36/563076136.db2.gz XMDSHDUITWWPPB-HHHXNRCGSA-N 2 2 445.969 6.112 1 0 IKAFLP Clc1ccc([C@@](c2ccccc2)(c2ccc(C[NH+]3CCOCC3)cc2)n2cc[nH+]c2)cc1 ZINC000029134909 563076142 /nfs/dbraw/zinc/07/61/42/563076142.db2.gz CZZZCBVEVCYMDS-HHHXNRCGSA-N 2 2 443.978 5.209 1 0 IKAFLP Clc1cccc([C@@](c2cccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)c1 ZINC000029134907 563076157 /nfs/dbraw/zinc/07/61/57/563076157.db2.gz YPJMHYIATBWPDM-RUZDIDTESA-N 2 2 434.008 6.034 1 0 IKAFLP c1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCCOc3ccccc3)CC2)cc1 ZINC000029556685 563082115 /nfs/dbraw/zinc/08/21/15/563082115.db2.gz OSAAXPGWCYCFPB-UHFFFAOYSA-N 2 2 440.591 5.430 1 0 IKAFLP Fc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000029564189 563082472 /nfs/dbraw/zinc/08/24/72/563082472.db2.gz RGOUHJBKJSHGGJ-UHFFFAOYSA-N 2 2 428.555 5.343 1 0 IKAFLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000034820528 563088029 /nfs/dbraw/zinc/08/80/29/563088029.db2.gz ALDSFVOFVJGKIF-DEOSSOPVSA-N 2 2 430.596 5.029 1 0 IKAFLP Clc1ccc([C@@](Cn2cc[nH+]c2)(c2ccccc2)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000035246410 563089629 /nfs/dbraw/zinc/08/96/29/563089629.db2.gz PQNPIYFCNWCJSH-NDEPHWFRSA-N 2 2 442.006 6.167 1 0 IKAFLP CCCC[NH+](CCCC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1Cl ZINC000040952822 563114198 /nfs/dbraw/zinc/11/41/98/563114198.db2.gz XNMKOWKISXRIGP-UHFFFAOYSA-N 2 2 430.423 7.687 1 0 IKAFLP Cc1ccc(C[NH+]2CCN(c3cccc4[nH+]c(-c5ccc(C(C)(C)C)cc5)[nH]c43)CC2)o1 ZINC000040954897 563114560 /nfs/dbraw/zinc/11/45/60/563114560.db2.gz XKKURHTXUQVPTG-UHFFFAOYSA-N 2 2 428.580 5.751 1 0 IKAFLP C[N@H+](CC[NH3+])Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045166919 563122248 /nfs/dbraw/zinc/12/22/48/563122248.db2.gz VYHLUKZWOKWOFD-UHFFFAOYSA-N 2 2 430.499 5.368 1 0 IKAFLP C[N@@H+](CC[NH3+])Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045166919 563122249 /nfs/dbraw/zinc/12/22/49/563122249.db2.gz VYHLUKZWOKWOFD-UHFFFAOYSA-N 2 2 430.499 5.368 1 0 IKAFLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045202090 563124922 /nfs/dbraw/zinc/12/49/22/563124922.db2.gz OEIBHBZHJLETLH-NRFANRHFSA-N 2 2 436.481 5.449 1 0 IKAFLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045202090 563124924 /nfs/dbraw/zinc/12/49/24/563124924.db2.gz OEIBHBZHJLETLH-NRFANRHFSA-N 2 2 436.481 5.449 1 0 IKAFLP C[NH2+]CC[NH2+]Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045202197 563124940 /nfs/dbraw/zinc/12/49/40/563124940.db2.gz HELYNPWNVPOJIB-UHFFFAOYSA-N 2 2 430.499 5.286 1 0 IKAFLP Cc1cc2cc(O)cc3oc(C[C@@]4(C)Cc5[nH+]c(C)cc6cc(O)cc(c65)O4)cc([nH+]1)c23 ZINC000049019406 563135485 /nfs/dbraw/zinc/13/54/85/563135485.db2.gz QFASAGFSZZZDBJ-SANMLTNESA-N 2 2 426.472 5.494 1 0 IKAFLP Cc1c(C[NH+]2CCCC2)cc(-c2ccc(F)cc2)n1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000058575428 563144875 /nfs/dbraw/zinc/14/48/75/563144875.db2.gz MHMTYYBTXYYSJV-UHFFFAOYSA-N 2 2 434.946 6.275 1 0 IKAFLP Cc1cc(N)[nH+]c(C[C@@H]2C[NH2+]C[C@@H]2OCc2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000058592628 563145715 /nfs/dbraw/zinc/14/57/15/563145715.db2.gz TUMFAAOTAQZRGI-OFNKIYASSA-N 2 2 441.497 5.005 1 0 IKAFLP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000066075338 563157401 /nfs/dbraw/zinc/15/74/01/563157401.db2.gz FKZGPBWOYWVDOZ-WOJBJXKFSA-N 2 2 430.436 5.915 1 0 IKAFLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000066097775 563158004 /nfs/dbraw/zinc/15/80/04/563158004.db2.gz LSCMYPHZDZQLEO-BGYRXZFFSA-N 2 2 430.436 5.915 1 0 IKAFLP CC[NH+](CC)CCNc1nc2cc(Nc3cc[nH+]c4cc(Cl)ccc34)ccc2s1 ZINC000084672133 563175455 /nfs/dbraw/zinc/17/54/55/563175455.db2.gz KHJMXBPTQGUCBA-UHFFFAOYSA-N 2 2 425.989 5.995 1 0 IKAFLP Nc1cc(-c2ccc(F)cc2)[nH+]c2ccc(Nc3cc(-c4ccc(F)cc4)[nH+]c(N)n3)cc12 ZINC000095572418 563184758 /nfs/dbraw/zinc/18/47/58/563184758.db2.gz OOOOGFQWDZNDSN-UHFFFAOYSA-N 2 2 440.457 5.545 1 0 IKAFLP CCCC[C@H]1CCc2cc(O)cc3c(CC[NH+]4CCN(c5cc(C)cc[nH+]5)CC4)c(C)n1c32 ZINC000001539350 562922665 /nfs/dbraw/zinc/92/26/65/562922665.db2.gz GLTHSRFPHHLMIW-QHCPKHFHSA-N 2 2 446.639 5.401 1 0 IKAFLP Cc1cc2cc(Nc3cc[nH+]c4cc(-c5ccc(C[NH2+]CCCO)cc5)sc43)ccc2[nH]1 ZINC000013588195 562995904 /nfs/dbraw/zinc/99/59/04/562995904.db2.gz QYULUQACUCDZHT-UHFFFAOYSA-N 2 2 442.588 5.969 1 0 IKAFLP C[N@H+](CCCc1ccccc1)C1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000013803933 563008222 /nfs/dbraw/zinc/00/82/22/563008222.db2.gz QYIDZGIRYRGUNF-UHFFFAOYSA-N 2 2 442.647 5.822 1 0 IKAFLP C[N@@H+](CCCc1ccccc1)C1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000013803933 563008224 /nfs/dbraw/zinc/00/82/24/563008224.db2.gz QYIDZGIRYRGUNF-UHFFFAOYSA-N 2 2 442.647 5.822 1 0 IKAFLP Cc1cccc(C)c1Nc1ncc(-c2cccc(OC[C@H]3CCC[N@@H+](C)C3)c2)n2c[nH+]cc12 ZINC000013981064 563014212 /nfs/dbraw/zinc/01/42/12/563014212.db2.gz CMZVYJMYCACHOM-NRFANRHFSA-N 2 2 441.579 5.477 1 0 IKAFLP Cc1cccc(C)c1Nc1ncc(-c2cccc(OC[C@H]3CCC[N@H+](C)C3)c2)n2c[nH+]cc12 ZINC000013981064 563014214 /nfs/dbraw/zinc/01/42/14/563014214.db2.gz CMZVYJMYCACHOM-NRFANRHFSA-N 2 2 441.579 5.477 1 0 IKAFLP Clc1ccc(CC[NH2+]CC[NH2+]C2(c3cc4ccccc4s3)CCCCC2)cc1Cl ZINC000019365716 563022627 /nfs/dbraw/zinc/02/26/27/563022627.db2.gz OJSYGXWHGGTEPQ-UHFFFAOYSA-N 2 2 447.475 6.789 1 0 IKAFLP CC[NH+](CC)CCCCNc1cc2c(c[nH+]1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C ZINC000021289492 563025327 /nfs/dbraw/zinc/02/53/27/563025327.db2.gz PMCRAXHPRPRFAQ-UHFFFAOYSA-N 2 2 447.410 5.441 1 0 IKAFLP c1ccc(CCC[NH2+]C[C@@H]2CCC[N@@H+]2CCOC(c2ccccc2)c2ccccc2)cc1 ZINC000022938539 563026539 /nfs/dbraw/zinc/02/65/39/563026539.db2.gz GHAOQDNUNJNCCJ-NDEPHWFRSA-N 2 2 428.620 5.479 1 0 IKAFLP c1ccc(CCC[NH2+]C[C@@H]2CCC[N@H+]2CCOC(c2ccccc2)c2ccccc2)cc1 ZINC000022938539 563026540 /nfs/dbraw/zinc/02/65/40/563026540.db2.gz GHAOQDNUNJNCCJ-NDEPHWFRSA-N 2 2 428.620 5.479 1 0 IKAFLP CCC[N@@H+](Cc1c(CC)[nH+]c2n1c1cc(F)ccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028465001 563055277 /nfs/dbraw/zinc/05/52/77/563055277.db2.gz WWUKKAAYBFTUAL-UHFFFAOYSA-N 2 2 446.614 6.527 1 0 IKAFLP CCC[N@H+](Cc1c(CC)[nH+]c2n1c1cc(F)ccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028465001 563055279 /nfs/dbraw/zinc/05/52/79/563055279.db2.gz WWUKKAAYBFTUAL-UHFFFAOYSA-N 2 2 446.614 6.527 1 0 IKAFLP Clc1cccc([C@@](c2ccccc2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)c1 ZINC000028604050 563059661 /nfs/dbraw/zinc/05/96/61/563059661.db2.gz JMWJHHSZIGXYTI-HHHXNRCGSA-N 2 2 427.979 5.973 1 0 IKAFLP C[NH+](C)C12C[C@H](OC(=O)C[NH+]3CCCCC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000028863272 563067090 /nfs/dbraw/zinc/06/70/90/563067090.db2.gz CWVOPLAUUGTKDU-CIVVDIMJSA-N 2 2 446.635 5.066 1 0 IKAFLP Clc1cccc([C@](c2ccc(C[NH+]3CCCC3)cc2)(c2ccccn2)n2cc[nH+]c2)c1 ZINC000029134706 563076082 /nfs/dbraw/zinc/07/60/82/563076082.db2.gz WLCDUINKZRNEMK-AREMUKBSSA-N 2 2 428.967 5.368 1 0 IKAFLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029567364 563082682 /nfs/dbraw/zinc/08/26/82/563082682.db2.gz PCJUYAAOEVYFKT-FQEVSTJZSA-N 2 2 428.555 5.861 1 0 IKAFLP Oc1cccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)c1 ZINC000029569338 563082963 /nfs/dbraw/zinc/08/29/63/563082963.db2.gz UPZLGFQLLYFEEA-UHFFFAOYSA-N 2 2 444.554 5.048 1 0 IKAFLP CC(C)[N@@H+]1CCC[C@H](Cn2c3ccccc3nc2C[NH+](C)[C@H]2CCCc3cccnc32)C1 ZINC000034821262 563088143 /nfs/dbraw/zinc/08/81/43/563088143.db2.gz QSKQVYGGIODIIN-OFVILXPXSA-N 2 2 431.628 5.061 1 0 IKAFLP CC(C)[N@H+]1CCC[C@H](Cn2c3ccccc3nc2C[NH+](C)[C@H]2CCCc3cccnc32)C1 ZINC000034821262 563088144 /nfs/dbraw/zinc/08/81/44/563088144.db2.gz QSKQVYGGIODIIN-OFVILXPXSA-N 2 2 431.628 5.061 1 0 IKAFLP CC(C)[NH+]1CCC[C@H](Cn2c3ccccc3nc2C[N@H+](C)[C@H]2CCCc3cccnc32)C1 ZINC000034821262 563088145 /nfs/dbraw/zinc/08/81/45/563088145.db2.gz QSKQVYGGIODIIN-OFVILXPXSA-N 2 2 431.628 5.061 1 0 IKAFLP CC(C)[NH+]1CCC[C@H](Cn2c3ccccc3nc2C[N@@H+](C)[C@H]2CCCc3cccnc32)C1 ZINC000034821262 563088146 /nfs/dbraw/zinc/08/81/46/563088146.db2.gz QSKQVYGGIODIIN-OFVILXPXSA-N 2 2 431.628 5.061 1 0 IKAFLP CCOC(=O)[C@@](CCC[N@H+](C)CCCc1[nH]c2ccccc2[nH+]1)(c1ccccc1)C(C)C ZINC000040879279 563109630 /nfs/dbraw/zinc/10/96/30/563109630.db2.gz PVDJWOVUBFJXRE-HHHXNRCGSA-N 2 2 435.612 5.365 1 0 IKAFLP CCOC(=O)[C@@](CCC[N@@H+](C)CCCc1[nH]c2ccccc2[nH+]1)(c1ccccc1)C(C)C ZINC000040879279 563109631 /nfs/dbraw/zinc/10/96/31/563109631.db2.gz PVDJWOVUBFJXRE-HHHXNRCGSA-N 2 2 435.612 5.365 1 0 IKAFLP CCN(CCC[NH+]1CCCCC1)c1cc(C)[nH+]c(Nc2ccc(F)c(C(F)(F)F)c2)n1 ZINC000045195268 563124444 /nfs/dbraw/zinc/12/44/44/563124444.db2.gz FZXGNDAMSSEROC-UHFFFAOYSA-N 2 2 439.501 5.389 1 0 IKAFLP CCN(CCC[NH+]1CCCCC1)c1cc(C)[nH+]c(Nc2ccc(C)c(Br)c2)n1 ZINC000045201736 563124847 /nfs/dbraw/zinc/12/48/47/563124847.db2.gz UHOOMRZEDVQNRD-UHFFFAOYSA-N 2 2 446.437 5.302 1 0 IKAFLP Clc1ccc(CNc2cc[nH+]c(NCc3ccc[nH+]c3N3CCCC3)n2)c(Cl)c1 ZINC000045202504 563125076 /nfs/dbraw/zinc/12/50/76/563125076.db2.gz YQEXWOKRULXLOZ-UHFFFAOYSA-N 2 2 429.355 5.003 1 0 IKAFLP Cn1nc(-c2cccc(C[NH2+][C@H]3CCc4ccccc43)c2)c2c[nH+]c(NC3CCCC3)nc21 ZINC000045202864 563125121 /nfs/dbraw/zinc/12/51/21/563125121.db2.gz ZXJAWQRMIYVOKP-DEOSSOPVSA-N 2 2 438.579 5.162 1 0 IKAFLP [NH3+]CCCNc1ccc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c[nH+]1 ZINC000045210683 563125307 /nfs/dbraw/zinc/12/53/07/563125307.db2.gz SZLHWXZGJSPXJR-UHFFFAOYSA-N 2 2 447.436 5.311 1 0 IKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[NH2+]CCCCCCc4cccc(c4)C3)cc2)nc1 ZINC000045316624 563129866 /nfs/dbraw/zinc/12/98/66/563129866.db2.gz WPQODPUWGDCTMU-UHFFFAOYSA-N 3 2 442.651 5.080 1 0 IKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[NH2+]CCCCCCc4cccc(c4)C3)cc2)nc1 ZINC000045316624 563129868 /nfs/dbraw/zinc/12/98/68/563129868.db2.gz WPQODPUWGDCTMU-UHFFFAOYSA-N 3 2 442.651 5.080 1 0 IKAFLP C[NH+](CCC[NH2+]Cc1ccc2ccccc2c1)CCC[NH2+]Cc1ccc2ccccc2c1 ZINC000045334666 563131047 /nfs/dbraw/zinc/13/10/47/563131047.db2.gz WMTGXYHHBSTTAT-UHFFFAOYSA-N 3 2 425.620 5.584 1 0 IKAFLP CCN(CCC[NH+]1CCCCC1)c1cc(C)[nH+]c(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000045335570 563131319 /nfs/dbraw/zinc/13/13/19/563131319.db2.gz XXZMNBYJESSXNT-UHFFFAOYSA-N 2 2 445.611 6.023 1 0 IKAFLP CC[NH+](CC)CCC[NH2+]Cc1cc2c3ccccc3n(Cc3cccc(Cl)c3)c2cn1 ZINC000053297624 563141910 /nfs/dbraw/zinc/14/19/10/563141910.db2.gz UBXKMTCHPNSGFO-UHFFFAOYSA-N 2 2 435.015 5.713 1 0 IKAFLP CCCc1nc(-c2ccccc2)c(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3C)CC2)o1 ZINC000053297627 563141922 /nfs/dbraw/zinc/14/19/22/563141922.db2.gz WEMHSCWXHCJWNO-UHFFFAOYSA-N 2 2 446.639 5.213 1 0 IKAFLP Clc1cccc(N2CC[NH+](CCCCNc3[nH+]ccc4ccccc43)CC2)c1Cl ZINC000058575940 563144857 /nfs/dbraw/zinc/14/48/57/563144857.db2.gz DPAGUJADGMJVKD-UHFFFAOYSA-N 2 2 429.395 5.556 1 0 IKAFLP FC(F)(F)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000066075525 563157409 /nfs/dbraw/zinc/15/74/09/563157409.db2.gz LSCMYPHZDZQLEO-PMACEKPBSA-N 2 2 430.436 5.915 1 0 IKAFLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000066097774 563157951 /nfs/dbraw/zinc/15/79/51/563157951.db2.gz BRSPKADPJUUTJG-WOJBJXKFSA-N 2 2 430.436 5.915 1 0 IKAFLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000066097768 563157970 /nfs/dbraw/zinc/15/79/70/563157970.db2.gz BRSPKADPJUUTJG-BGYRXZFFSA-N 2 2 430.436 5.915 1 0 IKAFLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000066097778 563158044 /nfs/dbraw/zinc/15/80/44/563158044.db2.gz LSCMYPHZDZQLEO-WOJBJXKFSA-N 2 2 430.436 5.915 1 0 IKAFLP Cc1cccc(-c2cc(Nc3ccc4[nH+]c(-c5ccc(F)cc5)cc(N)c4c3)nc(N)[nH+]2)c1 ZINC000095579426 563187000 /nfs/dbraw/zinc/18/70/00/563187000.db2.gz VGTPLDSCVJRGPN-UHFFFAOYSA-N 2 2 436.494 5.714 1 0 IKAFLP CCC[N@@H+](Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1C)CC1CCC1 ZINC000000595374 562918443 /nfs/dbraw/zinc/91/84/43/562918443.db2.gz PVMIXKYFNVLMST-UHFFFAOYSA-N 2 2 429.612 5.919 1 0 IKAFLP CCC[N@H+](Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1C)CC1CCC1 ZINC000000595374 562918446 /nfs/dbraw/zinc/91/84/46/562918446.db2.gz PVMIXKYFNVLMST-UHFFFAOYSA-N 2 2 429.612 5.919 1 0 IKAFLP c1[nH]c(CCC(c2ccccc2)c2ccccc2)[nH+]c1CC[NH2+]CCCCc1ccccn1 ZINC000013530321 562992095 /nfs/dbraw/zinc/99/20/95/562992095.db2.gz XPTQCQILQOIXEE-UHFFFAOYSA-N 2 2 438.619 5.724 1 0 IKAFLP c1[nH+]c(CCC(c2ccccc2)c2ccccc2)[nH]c1CC[NH2+]CCCCc1ccccn1 ZINC000013530321 562992097 /nfs/dbraw/zinc/99/20/97/562992097.db2.gz XPTQCQILQOIXEE-UHFFFAOYSA-N 2 2 438.619 5.724 1 0 IKAFLP Cc1cc2cc(Nc3cc[nH+]c4cc(-c5ccc(C[N@H+](C)CCO)cc5)sc43)ccc2[nH]1 ZINC000013588193 562995919 /nfs/dbraw/zinc/99/59/19/562995919.db2.gz CIAUVJBQJHPXQG-UHFFFAOYSA-N 2 2 442.588 5.921 1 0 IKAFLP Cc1cc2cc(Nc3cc[nH+]c4cc(-c5ccc(C[N@@H+](C)CCO)cc5)sc43)ccc2[nH]1 ZINC000013588193 562995920 /nfs/dbraw/zinc/99/59/20/562995920.db2.gz CIAUVJBQJHPXQG-UHFFFAOYSA-N 2 2 442.588 5.921 1 0 IKAFLP Oc1cccc(CCC[NH2+]C[C@@H]2CCC[N@@H+]2CCOC(c2ccccc2)c2ccccc2)c1 ZINC000022938554 563026559 /nfs/dbraw/zinc/02/65/59/563026559.db2.gz HOPRSKLHOFECQR-MHZLTWQESA-N 2 2 444.619 5.185 1 0 IKAFLP Oc1cccc(CCC[NH2+]C[C@@H]2CCC[N@H+]2CCOC(c2ccccc2)c2ccccc2)c1 ZINC000022938554 563026560 /nfs/dbraw/zinc/02/65/60/563026560.db2.gz HOPRSKLHOFECQR-MHZLTWQESA-N 2 2 444.619 5.185 1 0 IKAFLP Clc1ccc2c(NCCCCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000026250459 563030049 /nfs/dbraw/zinc/03/00/49/563030049.db2.gz JBTFFRGMIAACAO-UHFFFAOYSA-N 2 2 425.363 6.784 1 0 IKAFLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026995548 563038848 /nfs/dbraw/zinc/03/88/48/563038848.db2.gz ZRWAMFWDHTXJIW-LVXARBLLSA-N 2 2 429.007 6.545 1 0 IKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2COc2ccc(Cl)cc2)CC1 ZINC000027526898 563043341 /nfs/dbraw/zinc/04/33/41/563043341.db2.gz UVIAQSWZDRTCNP-UHFFFAOYSA-N 2 2 429.029 5.702 1 0 IKAFLP CCCCCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]([NH2+]CCCCCC)c1ccc(OC)cc1 ZINC000027986123 563048877 /nfs/dbraw/zinc/04/88/77/563048877.db2.gz YTXIOYFUSXVJGV-NSOVKSMOSA-N 2 2 440.672 6.826 1 0 IKAFLP CCCCCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]([NH2+]CCCCCC)c1ccc(OC)cc1 ZINC000027986129 563048890 /nfs/dbraw/zinc/04/88/90/563048890.db2.gz YTXIOYFUSXVJGV-VSGBNLITSA-N 2 2 440.672 6.826 1 0 IKAFLP Cc1cccc(C)c1Nc1ncc(-c2ccc(OC[C@H]3CCC[N@@H+](C)C3)cc2)n2c[nH+]cc12 ZINC000028639997 563060055 /nfs/dbraw/zinc/06/00/55/563060055.db2.gz ZMNIUTKMAXSZLK-NRFANRHFSA-N 2 2 441.579 5.477 1 0 IKAFLP Cc1cccc(C)c1Nc1ncc(-c2ccc(OC[C@H]3CCC[N@H+](C)C3)cc2)n2c[nH+]cc12 ZINC000028639997 563060056 /nfs/dbraw/zinc/06/00/56/563060056.db2.gz ZMNIUTKMAXSZLK-NRFANRHFSA-N 2 2 441.579 5.477 1 0 IKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000028827098 563066558 /nfs/dbraw/zinc/06/65/58/563066558.db2.gz BQXNKIUNSHZBLU-UHFFFAOYSA-N 2 2 442.582 5.733 1 0 IKAFLP Cc1[nH+]c2cc(C)ccc2n1C1CC[NH+](CCCc2cccc(NC(=O)C(C)C)c2)CC1 ZINC000029128380 563075167 /nfs/dbraw/zinc/07/51/67/563075167.db2.gz UEXMLAHFKICZJK-UHFFFAOYSA-N 2 2 432.612 5.517 1 0 IKAFLP Clc1cccc([C@@](c2ccncc2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)c1 ZINC000029135622 563076219 /nfs/dbraw/zinc/07/62/19/563076219.db2.gz GDBUZJROAYJSEO-SANMLTNESA-N 2 2 428.967 5.368 1 0 IKAFLP Clc1ccc([C@@](c2nccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)cc1 ZINC000029135496 563076261 /nfs/dbraw/zinc/07/62/61/563076261.db2.gz WCFYPIUHVQUBEP-XMMPIXPASA-N 2 2 434.996 5.429 1 0 IKAFLP Clc1ccc([C@](c2cccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)cc1 ZINC000029135625 563076267 /nfs/dbraw/zinc/07/62/67/563076267.db2.gz XOSWWTHXBLODIH-VWLOTQADSA-N 2 2 434.008 6.034 1 0 IKAFLP C[C@@H](C[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000029564043 563082470 /nfs/dbraw/zinc/08/24/70/563082470.db2.gz IDJNYUHFUXECLI-NRFANRHFSA-N 2 2 442.582 5.904 1 0 IKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000029567577 563082736 /nfs/dbraw/zinc/08/27/36/563082736.db2.gz WVOZXGZNQPYOQX-RMKNXTFCSA-N 2 2 440.566 5.813 1 0 IKAFLP c1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000029569654 563082978 /nfs/dbraw/zinc/08/29/78/563082978.db2.gz MMSACAMADRXBRY-UHFFFAOYSA-N 2 2 426.564 5.040 1 0 IKAFLP CN(C)CC[NH2+]Cc1ccc(-c2ccc3c(Nc4ccc(F)cc4Cl)cc[nH+]c3c2)o1 ZINC000045321712 563130272 /nfs/dbraw/zinc/13/02/72/563130272.db2.gz IKNPKTVJYFMFKN-UHFFFAOYSA-N 2 2 438.934 5.682 1 0 IKAFLP C[NH+](C)CCNCc1ccc(-c2ccc3c(Nc4ccc(F)cc4Cl)cc[nH+]c3c2)o1 ZINC000045321712 563130273 /nfs/dbraw/zinc/13/02/73/563130273.db2.gz IKNPKTVJYFMFKN-UHFFFAOYSA-N 2 2 438.934 5.682 1 0 IKAFLP CC[NH+](CC)CCC[NH2+]Cc1cc2c3ccccc3n(CCCc3ccccc3)c2cn1 ZINC000053295621 563141815 /nfs/dbraw/zinc/14/18/15/563141815.db2.gz MTWKYGNTJHSKAN-UHFFFAOYSA-N 2 2 428.624 5.644 1 0 IKAFLP CC[NH+](CC)Cc1cc(-c2ccc(N)cc2)n(Nc2cc[nH+]c3cc(Cl)ccc23)c1C ZINC000058591032 563145413 /nfs/dbraw/zinc/14/54/13/563145413.db2.gz QRMCKZVNYPTGAE-UHFFFAOYSA-N 2 2 433.987 5.964 1 0 IKAFLP Cc1[nH+]c2ccccc2n1C1(C)CC[NH+](CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000095559485 563182013 /nfs/dbraw/zinc/18/20/13/563182013.db2.gz LKGIWTVSYFHATA-DEOSSOPVSA-N 2 2 444.623 5.203 1 0 IKAFLP c1[nH]c(CCC(c2ccccc2)c2ccccc2)[nH+]c1CC[NH2+]CCCCc1ccncc1 ZINC000013530346 562992012 /nfs/dbraw/zinc/99/20/12/562992012.db2.gz PCOLEVGKHNHQSG-UHFFFAOYSA-N 2 2 438.619 5.724 1 0 IKAFLP CCCC[C@@H]1CCc2cccc3c(CC[NH+]4CCN(c5cc(C)cc[nH+]5)CC4)c(C)n1c32 ZINC000013740440 563003018 /nfs/dbraw/zinc/00/30/18/563003018.db2.gz FGEJWVXINYCXIR-XMMPIXPASA-N 2 2 430.640 5.695 1 0 IKAFLP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3c4ccccc4SC[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000013820039 563009936 /nfs/dbraw/zinc/00/99/36/563009936.db2.gz YQCIWHXFIBJHED-CAKYRVLISA-N 2 2 435.681 5.442 1 0 IKAFLP c1ccc(CCC[NH2+]C[C@H]2CCC[N@@H+]2CCOC(c2ccccc2)c2ccccc2)cc1 ZINC000022938545 563026556 /nfs/dbraw/zinc/02/65/56/563026556.db2.gz GHAOQDNUNJNCCJ-MUUNZHRXSA-N 2 2 428.620 5.479 1 0 IKAFLP c1ccc(CCC[NH2+]C[C@H]2CCC[N@H+]2CCOC(c2ccccc2)c2ccccc2)cc1 ZINC000022938545 563026557 /nfs/dbraw/zinc/02/65/57/563026557.db2.gz GHAOQDNUNJNCCJ-MUUNZHRXSA-N 2 2 428.620 5.479 1 0 IKAFLP c1ccc(CCC[NH2+][C@H]2CCCC[N@H+](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000022938483 563026602 /nfs/dbraw/zinc/02/66/02/563026602.db2.gz ZYUGAHBWNOIKHF-LJAQVGFWSA-N 2 2 442.647 5.870 1 0 IKAFLP c1ccc(CCC[NH2+][C@H]2CCCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000022938483 563026603 /nfs/dbraw/zinc/02/66/03/563026603.db2.gz ZYUGAHBWNOIKHF-LJAQVGFWSA-N 2 2 442.647 5.870 1 0 IKAFLP Clc1ccc2c(N[C@@H]3CCCC[C@H]3Nc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000026252435 563030008 /nfs/dbraw/zinc/03/00/08/563030008.db2.gz LISWOCWHIAZFSB-FGZHOGPDSA-N 2 2 437.374 6.925 1 0 IKAFLP c1[nH+]c2c(cccc2N2CC[NH2+]CC2)n1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000026399466 563031839 /nfs/dbraw/zinc/03/18/39/563031839.db2.gz IMRJYQQJJPTLSL-UHFFFAOYSA-N 2 2 444.582 5.286 1 0 IKAFLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026995536 563038851 /nfs/dbraw/zinc/03/88/51/563038851.db2.gz ZRWAMFWDHTXJIW-HFZDXXHNSA-N 2 2 429.007 6.545 1 0 IKAFLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cl)c1cccc2ccccc21 ZINC000027077148 563039037 /nfs/dbraw/zinc/03/90/37/563039037.db2.gz BXUXAOCUFNDQLK-SQJMNOBHSA-N 2 2 429.007 6.545 1 0 IKAFLP Cc1cc(C)c(OCc2sc3ccccc3c2CC[NH+]2CCC([NH+](C)C)CC2)c(C)c1 ZINC000027526406 563043365 /nfs/dbraw/zinc/04/33/65/563043365.db2.gz SYIKGKYYUZWGBL-UHFFFAOYSA-N 2 2 436.665 5.974 1 0 IKAFLP Clc1ccc2c(Nc3cccc(Nc4cc[nH+]c5cc(Cl)ccc45)c3)cc[nH+]c2c1 ZINC000028470572 563055476 /nfs/dbraw/zinc/05/54/76/563055476.db2.gz YIOPLEOETVRVPP-UHFFFAOYSA-N 2 2 431.326 7.577 1 0 IKAFLP Cc1cccc(C)c1Nc1ncc(-c2ccc(OC[C@@H]3CCC[N@@H+](C)C3)cc2)n2c[nH+]cc12 ZINC000028639995 563060045 /nfs/dbraw/zinc/06/00/45/563060045.db2.gz ZMNIUTKMAXSZLK-OAQYLSRUSA-N 2 2 441.579 5.477 1 0 IKAFLP Cc1cccc(C)c1Nc1ncc(-c2ccc(OC[C@@H]3CCC[N@H+](C)C3)cc2)n2c[nH+]cc12 ZINC000028639995 563060046 /nfs/dbraw/zinc/06/00/46/563060046.db2.gz ZMNIUTKMAXSZLK-OAQYLSRUSA-N 2 2 441.579 5.477 1 0 IKAFLP Fc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000028827094 563066596 /nfs/dbraw/zinc/06/65/96/563066596.db2.gz BDHINVDMKKOVJL-UHFFFAOYSA-N 2 2 446.545 5.482 1 0 IKAFLP CCC[N@H+](CCC1CC1)Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1C ZINC000028903732 563069264 /nfs/dbraw/zinc/06/92/64/563069264.db2.gz AXPHBYMSNVRSMB-UHFFFAOYSA-N 2 2 429.612 5.919 1 0 IKAFLP CCC[N@@H+](CCC1CC1)Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1C ZINC000028903732 563069265 /nfs/dbraw/zinc/06/92/65/563069265.db2.gz AXPHBYMSNVRSMB-UHFFFAOYSA-N 2 2 429.612 5.919 1 0 IKAFLP Clc1cccc([C@@](c2ccc(C[NH+]3CCCC3)cc2)(c2ccccn2)n2cc[nH+]c2)c1 ZINC000029134704 563076086 /nfs/dbraw/zinc/07/60/86/563076086.db2.gz WLCDUINKZRNEMK-SANMLTNESA-N 2 2 428.967 5.368 1 0 IKAFLP C[C@H](C[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000029564047 563082465 /nfs/dbraw/zinc/08/24/65/563082465.db2.gz IDJNYUHFUXECLI-OAQYLSRUSA-N 2 2 442.582 5.904 1 0 IKAFLP C[C@H](Cc1ccccc1)[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029565250 563082588 /nfs/dbraw/zinc/08/25/88/563082588.db2.gz BKAOISZSELRNGD-OAQYLSRUSA-N 2 2 442.582 5.731 1 0 IKAFLP Clc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029568547 563082810 /nfs/dbraw/zinc/08/28/10/563082810.db2.gz CBVWQFMRHSDHIL-UHFFFAOYSA-N 2 2 445.010 5.857 1 0 IKAFLP CCOc1ccccc1C[NH2+][C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000036323653 563092728 /nfs/dbraw/zinc/09/27/28/563092728.db2.gz GPUOQABHPXXQED-VMPREFPWSA-N 2 2 426.604 5.470 1 0 IKAFLP Cn1cccc1C[NH+]1CCN(c2cccc3[nH+]c(-c4ccc(C(C)(C)C)cc4)[nH]c32)CC1 ZINC000040430554 563103458 /nfs/dbraw/zinc/10/34/58/563103458.db2.gz QTXKLTNEQHYITC-UHFFFAOYSA-N 2 2 427.596 5.188 1 0 IKAFLP CC(C)(C)c1ccc(-c2[nH]c3c(cccc3N3CC[NH+](Cc4ccsc4)CC3)[nH+]2)cc1 ZINC000040954836 563114475 /nfs/dbraw/zinc/11/44/75/563114475.db2.gz VOGFTDCBTQHVEZ-UHFFFAOYSA-N 2 2 430.621 5.911 1 0 IKAFLP C[N@H+](Cc1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000043023903 563117382 /nfs/dbraw/zinc/11/73/82/563117382.db2.gz QBUBIPIOMZYFEI-UHFFFAOYSA-N 2 2 428.555 5.325 1 0 IKAFLP C[N@@H+](Cc1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000043023903 563117383 /nfs/dbraw/zinc/11/73/83/563117383.db2.gz QBUBIPIOMZYFEI-UHFFFAOYSA-N 2 2 428.555 5.325 1 0 IKAFLP C[N@H+](CCc1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000043073113 563118164 /nfs/dbraw/zinc/11/81/64/563118164.db2.gz VKVAJQSZVWNRMB-UHFFFAOYSA-N 2 2 442.582 5.367 1 0 IKAFLP C[N@@H+](CCc1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000043073113 563118166 /nfs/dbraw/zinc/11/81/66/563118166.db2.gz VKVAJQSZVWNRMB-UHFFFAOYSA-N 2 2 442.582 5.367 1 0 IKAFLP C[NH+](CCC[NH2+]Cc1cccc2ccccc21)CCC[NH2+]Cc1cccc2ccccc21 ZINC000045188779 563123112 /nfs/dbraw/zinc/12/31/12/563123112.db2.gz ZDDWWZGJOYCTNV-UHFFFAOYSA-N 3 2 425.620 5.584 1 0 IKAFLP Fc1cc(Cl)ccc1Nc1cc[nH+]c2cc(-c3ccc(C[NH+]4CCCCC4)o3)ccc12 ZINC000045322625 563130551 /nfs/dbraw/zinc/13/05/51/563130551.db2.gz OJZUXUKGQZQECF-UHFFFAOYSA-N 2 2 435.930 7.017 1 0 IKAFLP CC(C)C[N@@H+]1CCC[C@H](Cn2c3ccccc3nc2C[NH+](C)[C@H]2CCCc3cccnc32)C1 ZINC000049112718 563138372 /nfs/dbraw/zinc/13/83/72/563138372.db2.gz SUVTXSXXZWCMHL-NVQXNPDNSA-N 2 2 445.655 5.309 1 0 IKAFLP CC(C)C[N@H+]1CCC[C@H](Cn2c3ccccc3nc2C[NH+](C)[C@H]2CCCc3cccnc32)C1 ZINC000049112718 563138374 /nfs/dbraw/zinc/13/83/74/563138374.db2.gz SUVTXSXXZWCMHL-NVQXNPDNSA-N 2 2 445.655 5.309 1 0 IKAFLP CC(C)C[NH+]1CCC[C@H](Cn2c3ccccc3nc2C[N@H+](C)[C@H]2CCCc3cccnc32)C1 ZINC000049112718 563138376 /nfs/dbraw/zinc/13/83/76/563138376.db2.gz SUVTXSXXZWCMHL-NVQXNPDNSA-N 2 2 445.655 5.309 1 0 IKAFLP CC(C)C[NH+]1CCC[C@H](Cn2c3ccccc3nc2C[N@@H+](C)[C@H]2CCCc3cccnc32)C1 ZINC000049112718 563138378 /nfs/dbraw/zinc/13/83/78/563138378.db2.gz SUVTXSXXZWCMHL-NVQXNPDNSA-N 2 2 445.655 5.309 1 0 IKAFLP Cc1c(C[NH+]2CCCC2)cc(-c2ccc(N)cc2)n1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000058592326 563145618 /nfs/dbraw/zinc/14/56/18/563145618.db2.gz JJERQAMHSQATHD-UHFFFAOYSA-N 2 2 431.971 5.140 1 0 IKAFLP FC(F)(F)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000066073917 563157306 /nfs/dbraw/zinc/15/73/06/563157306.db2.gz FKZGPBWOYWVDOZ-PMACEKPBSA-N 2 2 430.436 5.915 1 0 IKAFLP C1CCC[C@H]2CCC[NH+]3CC[C@H](CCCCC[C@@H]4CCC[N@H+]5CC[C@H](CC1)O[C@H]45)O[C@@H]23 ZINC000095486223 291394159 /nfs/dbraw/zinc/39/41/59/291394159.db2.gz XXBKNTKBCHTGIR-HBEKHWMPSA-N 2 2 432.693 5.945 1 0 biogenic,in-vitro IKAFLP C1CCC[C@H]2CCC[NH+]3CC[C@H](CCCCC[C@@H]4CCC[N@@H+]5CC[C@H](CC1)O[C@H]45)O[C@@H]23 ZINC000095486223 291394160 /nfs/dbraw/zinc/39/41/60/291394160.db2.gz XXBKNTKBCHTGIR-HBEKHWMPSA-N 2 2 432.693 5.945 1 0 biogenic,in-vitro IKAFLP C1CCC[C@H]2CCC[N@H+]3CC[C@H](CCCCC[C@@H]4CCC[NH+]5CC[C@H](CC1)O[C@H]45)O[C@@H]23 ZINC000095486223 291394161 /nfs/dbraw/zinc/39/41/61/291394161.db2.gz XXBKNTKBCHTGIR-HBEKHWMPSA-N 2 2 432.693 5.945 1 0 biogenic,in-vitro IKAFLP C1CCC[C@H]2CCC[N@@H+]3CC[C@H](CCCCC[C@@H]4CCC[NH+]5CC[C@H](CC1)O[C@H]45)O[C@@H]23 ZINC000095486223 291394162 /nfs/dbraw/zinc/39/41/62/291394162.db2.gz XXBKNTKBCHTGIR-HBEKHWMPSA-N 2 2 432.693 5.945 1 0 biogenic,in-vitro IKAFLP Clc1ccc(Cc2[nH]c3ccc(CC[NH+]4CCN(c5ccccc5)CC4)cc3[nH+]2)cc1 ZINC000001658044 562924144 /nfs/dbraw/zinc/92/41/44/562924144.db2.gz VPUAQCQMOIAGBY-UHFFFAOYSA-N 2 2 430.983 5.172 1 0 IKAFLP C[N@H+](CCO)Cc1ccc(-c2cc3[nH+]ccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588187 562995854 /nfs/dbraw/zinc/99/58/54/562995854.db2.gz MVLNKEXGMMGTDC-UHFFFAOYSA-N 2 2 428.561 5.612 1 0 IKAFLP C[N@@H+](CCO)Cc1ccc(-c2cc3[nH+]ccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588187 562995856 /nfs/dbraw/zinc/99/58/56/562995856.db2.gz MVLNKEXGMMGTDC-UHFFFAOYSA-N 2 2 428.561 5.612 1 0 IKAFLP OCCC[NH2+]Cc1ccc(-c2cc3[nH+]ccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588189 562995928 /nfs/dbraw/zinc/99/59/28/562995928.db2.gz MDSJWBBQCSEPDO-UHFFFAOYSA-N 2 2 428.561 5.660 1 0 IKAFLP CCCCCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]([NH2+]CCCCCC)c1ccc(OC)cc1 ZINC000027986118 563048906 /nfs/dbraw/zinc/04/89/06/563048906.db2.gz YTXIOYFUSXVJGV-HNRBIFIRSA-N 2 2 440.672 6.826 1 0 IKAFLP CCCC[N@H+](CCC)CCC[NH2+]C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000028126585 563051189 /nfs/dbraw/zinc/05/11/89/563051189.db2.gz MBUGSNXOIVWTSL-UHFFFAOYSA-N 3 2 435.700 5.775 1 0 IKAFLP CCCC[N@@H+](CCC)CCC[NH2+]C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000028126585 563051190 /nfs/dbraw/zinc/05/11/90/563051190.db2.gz MBUGSNXOIVWTSL-UHFFFAOYSA-N 3 2 435.700 5.775 1 0 IKAFLP c1ccc(Oc2ccc(C[NH2+]CCC[NH2+]C3CC[NH+](CC4CCCCC4)CC3)cc2)cc1 ZINC000028129760 563051296 /nfs/dbraw/zinc/05/12/96/563051296.db2.gz FLXRQSDEKFPPGS-UHFFFAOYSA-N 3 2 435.656 5.593 1 0 IKAFLP Cc1cccc(C)c1Nc1ncc(-c2ccc(OCC[NH+]3CCCC3)cc2)n2c[nH+]cc12 ZINC000028642463 563060493 /nfs/dbraw/zinc/06/04/93/563060493.db2.gz DKCHQSQIPABWFR-UHFFFAOYSA-N 2 2 427.552 5.231 1 0 IKAFLP COc1ccc(C[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000028827100 563066581 /nfs/dbraw/zinc/06/65/81/563066581.db2.gz XCZZAQJAATWEHZ-UHFFFAOYSA-N 2 2 444.554 5.309 1 0 IKAFLP CC[N@H+](CCC1CC1)Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903755 563069226 /nfs/dbraw/zinc/06/92/26/563069226.db2.gz CNNNXILIEROLAZ-UHFFFAOYSA-N 2 2 436.003 5.874 1 0 IKAFLP CC[N@@H+](CCC1CC1)Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903755 563069228 /nfs/dbraw/zinc/06/92/28/563069228.db2.gz CNNNXILIEROLAZ-UHFFFAOYSA-N 2 2 436.003 5.874 1 0 IKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2C)c1C[NH+](CC1CC1)CC1CC1 ZINC000028903723 563069250 /nfs/dbraw/zinc/06/92/50/563069250.db2.gz PBRDZEJFSDJXDB-UHFFFAOYSA-N 2 2 427.596 5.529 1 0 IKAFLP [NH2+]=C(NCc1ccc(Cl)c(Cl)c1)NC(=[NH2+])Nc1ccc(Cl)c(Cl)c1Cl ZINC000029410365 563079817 /nfs/dbraw/zinc/07/98/17/563079817.db2.gz SODQAFMUTPMMAF-UHFFFAOYSA-N 2 2 439.561 5.614 1 0 IKAFLP CC[NH+](CC)Cc1ccc([C@](c2ccccc2)(c2ccc(Cl)cc2)n2cc[nH+]c2)cc1 ZINC000029134943 563076064 /nfs/dbraw/zinc/07/60/64/563076064.db2.gz YJIZZBOMVWCSDY-HHHXNRCGSA-N 2 2 429.995 6.219 1 0 IKAFLP Clc1ccc([C@](c2nccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)cc1 ZINC000029135494 563076239 /nfs/dbraw/zinc/07/62/39/563076239.db2.gz WCFYPIUHVQUBEP-DEOSSOPVSA-N 2 2 434.996 5.429 1 0 IKAFLP C[C@H](Cn1c2ccccc2[nH+]c1NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000029558850 563082177 /nfs/dbraw/zinc/08/21/77/563082177.db2.gz PPKVHBYTSUNEDJ-HSZRJFAPSA-N 2 2 438.619 5.959 1 0 IKAFLP FC(F)(F)c1cccc(N2CC[NH+](CCCCNc3[nH+]ccc4ccccc43)CC2)c1 ZINC000035801959 563090035 /nfs/dbraw/zinc/09/00/35/563090035.db2.gz KFWSEMIBLPIBOC-UHFFFAOYSA-N 2 2 428.502 5.268 1 0 IKAFLP Cc1c(Br)c(C(F)F)sc1C[NH2+]CCCNc1[nH]c2cscc2[nH+]1 ZINC000038805030 563098377 /nfs/dbraw/zinc/09/83/77/563098377.db2.gz QTRXSZTWZPDQBH-UHFFFAOYSA-N 2 2 435.363 5.286 1 0 IKAFLP Cc1ncoc1C[NH+]1CCN(c2cccc3[nH+]c(-c4ccc(C(C)(C)C)cc4)[nH]c32)CC1 ZINC000040423698 563102744 /nfs/dbraw/zinc/10/27/44/563102744.db2.gz CRGWNCVWUAJNON-UHFFFAOYSA-N 2 2 429.568 5.146 1 0 IKAFLP CCOC(=O)[C@](CCC[N@H+](C)CCCc1[nH]c2ccccc2[nH+]1)(c1ccccc1)C(C)C ZINC000040879283 563109637 /nfs/dbraw/zinc/10/96/37/563109637.db2.gz PVDJWOVUBFJXRE-MHZLTWQESA-N 2 2 435.612 5.365 1 0 IKAFLP CCOC(=O)[C@](CCC[N@@H+](C)CCCc1[nH]c2ccccc2[nH+]1)(c1ccccc1)C(C)C ZINC000040879283 563109638 /nfs/dbraw/zinc/10/96/38/563109638.db2.gz PVDJWOVUBFJXRE-MHZLTWQESA-N 2 2 435.612 5.365 1 0 IKAFLP C[N@H+](CC1CCCCC1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000043014423 563116770 /nfs/dbraw/zinc/11/67/70/563116770.db2.gz LSOVNGNFKVHURS-UHFFFAOYSA-N 2 2 434.603 5.705 1 0 IKAFLP C[N@@H+](CC1CCCCC1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000043014423 563116771 /nfs/dbraw/zinc/11/67/71/563116771.db2.gz LSOVNGNFKVHURS-UHFFFAOYSA-N 2 2 434.603 5.705 1 0 IKAFLP CCN(CCC[NH+]1CCCCC1)c1cc(C)[nH+]c(Nc2cc(C(F)(F)F)ccc2C)n1 ZINC000045168600 563122649 /nfs/dbraw/zinc/12/26/49/563122649.db2.gz OZGNLHCHVWHYHA-UHFFFAOYSA-N 2 2 435.538 5.558 1 0 IKAFLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045202093 563124930 /nfs/dbraw/zinc/12/49/30/563124930.db2.gz OEIBHBZHJLETLH-OAQYLSRUSA-N 2 2 436.481 5.449 1 0 IKAFLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045202093 563124932 /nfs/dbraw/zinc/12/49/32/563124932.db2.gz OEIBHBZHJLETLH-OAQYLSRUSA-N 2 2 436.481 5.449 1 0 IKAFLP Cn1nc(-c2cccc(C[NH2+][C@@H]3CCc4ccccc43)c2)c2c[nH+]c(NC3CCCC3)nc21 ZINC000045202862 563125117 /nfs/dbraw/zinc/12/51/17/563125117.db2.gz ZXJAWQRMIYVOKP-XMMPIXPASA-N 2 2 438.579 5.162 1 0 IKAFLP Clc1cccc(N2CC[NH+](CCCCNc3ccc4ccccc4[nH+]3)CC2)c1Cl ZINC000058582407 563145142 /nfs/dbraw/zinc/14/51/42/563145142.db2.gz KFOXMHFDNRTETJ-UHFFFAOYSA-N 2 2 429.395 5.556 1 0 IKAFLP Cc1c(C[NH+]2CCCC2)cc(-c2ccc(C)cc2)n1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000058590766 563145416 /nfs/dbraw/zinc/14/54/16/563145416.db2.gz GXGMHNVEWJKKAT-UHFFFAOYSA-N 2 2 430.983 5.866 1 0 IKAFLP Cc1cc(N2CC[NH+](Cc3coc(-c4cccc5ccccc54)n3)CC2)c2ccccc2[nH+]1 ZINC000072182358 563167415 /nfs/dbraw/zinc/16/74/15/563167415.db2.gz VUHQCNNPPPLROU-UHFFFAOYSA-N 2 2 434.543 5.674 1 0 IKAFLP c1[nH]c(CCC(c2ccccc2)c2ccccc2)[nH+]c1CC[NH2+]CCCCc1cccnc1 ZINC000013530333 562992024 /nfs/dbraw/zinc/99/20/24/562992024.db2.gz XKOSNVKVHLRJGE-UHFFFAOYSA-N 2 2 438.619 5.724 1 0 IKAFLP c1[nH+]c(CCC(c2ccccc2)c2ccccc2)[nH]c1CC[NH2+]CCCCc1cccnc1 ZINC000013530333 562992026 /nfs/dbraw/zinc/99/20/26/562992026.db2.gz XKOSNVKVHLRJGE-UHFFFAOYSA-N 2 2 438.619 5.724 1 0 IKAFLP Cc1cc2cc(Nc3cc[nH+]c4cc(-c5ccc(C[NH2+]CCO)cc5)sc43)ccc2[nH]1 ZINC000013588197 562995844 /nfs/dbraw/zinc/99/58/44/562995844.db2.gz NBYJQDZZRITHTA-UHFFFAOYSA-N 2 2 428.561 5.579 1 0 IKAFLP c1[nH]cc(CN2CC[N@H+](Cc3cccc4ccccc43)Cc3cc(-c4ccccc4)ccc32)[nH+]1 ZINC000013803096 563008093 /nfs/dbraw/zinc/00/80/93/563008093.db2.gz FQYKBSZFZYBVHE-UHFFFAOYSA-N 2 2 444.582 6.252 1 0 IKAFLP c1[nH]cc(CN2CC[N@@H+](Cc3cccc4ccccc43)Cc3cc(-c4ccccc4)ccc32)[nH+]1 ZINC000013803096 563008094 /nfs/dbraw/zinc/00/80/94/563008094.db2.gz FQYKBSZFZYBVHE-UHFFFAOYSA-N 2 2 444.582 6.252 1 0 IKAFLP c1[nH]c(CN2CC[N@H+](Cc3cccc4ccccc43)Cc3cc(-c4ccccc4)ccc32)c[nH+]1 ZINC000013803096 563008095 /nfs/dbraw/zinc/00/80/95/563008095.db2.gz FQYKBSZFZYBVHE-UHFFFAOYSA-N 2 2 444.582 6.252 1 0 IKAFLP c1[nH]c(CN2CC[N@@H+](Cc3cccc4ccccc43)Cc3cc(-c4ccccc4)ccc32)c[nH+]1 ZINC000013803096 563008096 /nfs/dbraw/zinc/00/80/96/563008096.db2.gz FQYKBSZFZYBVHE-UHFFFAOYSA-N 2 2 444.582 6.252 1 0 IKAFLP Fc1ccc(CC[NH2+]C2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013803929 563008205 /nfs/dbraw/zinc/00/82/05/563008205.db2.gz AKCNZFOHJFSRSN-UHFFFAOYSA-N 2 2 432.583 5.228 1 0 IKAFLP c1ccc(CCC[NH2+][C@@H]2CCCC[N@H+](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000022938487 563026589 /nfs/dbraw/zinc/02/65/89/563026589.db2.gz ZYUGAHBWNOIKHF-GDLZYMKVSA-N 2 2 442.647 5.870 1 0 IKAFLP c1ccc(CCC[NH2+][C@@H]2CCCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000022938487 563026590 /nfs/dbraw/zinc/02/65/90/563026590.db2.gz ZYUGAHBWNOIKHF-GDLZYMKVSA-N 2 2 442.647 5.870 1 0 IKAFLP Clc1ccc2c(N[C@@H]3CCCC[C@@H]3Nc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000026252421 563030100 /nfs/dbraw/zinc/03/01/00/563030100.db2.gz LISWOCWHIAZFSB-SZPZYZBQSA-N 2 2 437.374 6.925 1 0 IKAFLP C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026995529 563038865 /nfs/dbraw/zinc/03/88/65/563038865.db2.gz ZRWAMFWDHTXJIW-QFQXNSOFSA-N 2 2 429.007 6.545 1 0 IKAFLP CCc1[nH+]c2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1C/C(C)=C/c1cccc(N)c1 ZINC000028759315 563063576 /nfs/dbraw/zinc/06/35/76/563063576.db2.gz MAGOMFOPKFSHPL-HLFXFWDMSA-N 2 2 431.584 5.125 1 0 IKAFLP Clc1cccc([C@@](c2nccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)c1 ZINC000029134828 563076109 /nfs/dbraw/zinc/07/61/09/563076109.db2.gz ZCENRPHEXVLQMR-XMMPIXPASA-N 2 2 434.996 5.429 1 0 IKAFLP Clc1ccc([C@](c2ccccc2)(c2ccc(C[NH+]3CCOCC3)cc2)n2cc[nH+]c2)cc1 ZINC000029134911 563076153 /nfs/dbraw/zinc/07/61/53/563076153.db2.gz CZZZCBVEVCYMDS-MHZLTWQESA-N 2 2 443.978 5.209 1 0 IKAFLP Clc1ccc([C@@](c2cccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)cc1 ZINC000029135627 563076223 /nfs/dbraw/zinc/07/62/23/563076223.db2.gz XOSWWTHXBLODIH-RUZDIDTESA-N 2 2 434.008 6.034 1 0 IKAFLP COc1ccccc1CC[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000029558602 563082219 /nfs/dbraw/zinc/08/22/19/563082219.db2.gz PGALNAQYPDZJFD-UHFFFAOYSA-N 2 2 440.591 5.212 1 0 IKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029564537 563082487 /nfs/dbraw/zinc/08/24/87/563082487.db2.gz UJYMLOAOICJQRV-UHFFFAOYSA-N 2 2 428.555 5.343 1 0 IKAFLP Clc1ccccc1Cn1c2ccccc2[nH+]c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000029564986 563082553 /nfs/dbraw/zinc/08/25/53/563082553.db2.gz GOZRCCSOFUKNIN-UHFFFAOYSA-N 2 2 445.010 5.857 1 0 IKAFLP Cc1ccc2[nH+]c(NC3CC[NH+](CCc4ccccc4)CC3)n(Cc3ccc(F)cc3)c2c1 ZINC000029565322 563082600 /nfs/dbraw/zinc/08/26/00/563082600.db2.gz JUBBQLLPGSUOBB-UHFFFAOYSA-N 2 2 442.582 5.651 1 0 IKAFLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029567360 563082658 /nfs/dbraw/zinc/08/26/58/563082658.db2.gz PCJUYAAOEVYFKT-HXUWFJFHSA-N 2 2 428.555 5.861 1 0 IKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000029567042 563082724 /nfs/dbraw/zinc/08/27/24/563082724.db2.gz OCIADLQNQKTASI-UHFFFAOYSA-N 2 2 434.584 5.404 1 0 IKAFLP Clc1ccc([C@](Cn2cc[nH+]c2)(c2ccccc2)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000035246412 563089657 /nfs/dbraw/zinc/08/96/57/563089657.db2.gz PQNPIYFCNWCJSH-MUUNZHRXSA-N 2 2 442.006 6.167 1 0 IKAFLP Cc1n[nH]c(C)c1C[NH+]1CCN(c2cccc3[nH+]c(-c4ccc(C(C)(C)C)cc4)[nH]c32)CC1 ZINC000040431310 563103581 /nfs/dbraw/zinc/10/35/81/563103581.db2.gz OFWHRQNGRLGROR-UHFFFAOYSA-N 2 2 442.611 5.190 1 0 IKAFLP C[NH+](C)C12C[C@@H](OC(=O)C[NH+]3CCCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040592713 563105535 /nfs/dbraw/zinc/10/55/35/563105535.db2.gz CWVOPLAUUGTKDU-IEVNGSTESA-N 2 2 446.635 5.066 1 0 IKAFLP CCN(CCC[NH+]1CCCCC1)c1cc(C)[nH+]c(Nc2cc(Br)ccc2C)n1 ZINC000045167436 563122378 /nfs/dbraw/zinc/12/23/78/563122378.db2.gz BOZKEGRGDKSWPF-UHFFFAOYSA-N 2 2 446.437 5.302 1 0 IKAFLP Cc1cc(N(CCC[NH+](C)C)Cc2cc(F)cc(F)c2)nc(Nc2ccc(Cl)cc2)[nH+]1 ZINC000045193720 563124088 /nfs/dbraw/zinc/12/40/88/563124088.db2.gz KVJKCPOERVTCFC-UHFFFAOYSA-N 2 2 445.945 5.419 1 0 IKAFLP CCN(CCC[NH+]1CCCCC1)c1cc(C)[nH+]c(Nc2cccc(C(F)(F)F)c2C)n1 ZINC000045194042 563124144 /nfs/dbraw/zinc/12/41/44/563124144.db2.gz YZADXJRYOHJZSK-UHFFFAOYSA-N 2 2 435.538 5.558 1 0 IKAFLP Cc1c(C)c(-c2cccc(C(C)(C)[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2)c[nH+]c1N ZINC000045301330 563129205 /nfs/dbraw/zinc/12/92/05/563129205.db2.gz XKIBCHKQIAJDBE-UHFFFAOYSA-N 3 2 428.624 5.437 1 0 IKAFLP CC[NH+](CC)Cc1cc(-c2ccc(F)cc2)n(Nc2cc[nH+]c3cc(Cl)ccc23)c1C ZINC000058582175 563145053 /nfs/dbraw/zinc/14/50/53/563145053.db2.gz SPRXXQWZRYCDFI-UHFFFAOYSA-N 2 2 436.962 5.943 1 0 IKAFLP CC[NH+](CC)Cc1cc(-c2ccc(C)cc2)n(Nc2cc[nH+]c3cc(Cl)ccc23)c1C ZINC000058592764 563145699 /nfs/dbraw/zinc/14/56/99/563145699.db2.gz NMIKFGKXYFLPQH-UHFFFAOYSA-N 2 2 432.999 6.112 1 0 IKAFLP FC(F)(F)c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000066097772 563157934 /nfs/dbraw/zinc/15/79/34/563157934.db2.gz BRSPKADPJUUTJG-PMACEKPBSA-N 2 2 430.436 5.915 1 0 IKAFLP [NH3+]C1CCC(Cn2nc(-c3ccccc3)c3c[nH+]c(NCCCc4ccccc4)nc32)CC1 ZINC000084711122 563177445 /nfs/dbraw/zinc/17/74/45/563177445.db2.gz SSWDFFYWXHKOMP-UHFFFAOYSA-N 2 2 440.595 5.056 1 0 IKAFLP Clc1ccc2c(Nc3ccc4sc(NCC[NH+]5CCCCC5)nc4c3)cc[nH+]c2c1 ZINC000084712330 563177512 /nfs/dbraw/zinc/17/75/12/563177512.db2.gz KWDNXLXOADBIDK-UHFFFAOYSA-N 2 2 438.000 6.139 1 0 IKAFLP CSc1nc(Nc2ccc3[nH+]c(C)cc(C)c3c2)nc(Nc2cc[nH+]c3ccccc23)n1 ZINC000098081940 563200457 /nfs/dbraw/zinc/20/04/57/563200457.db2.gz PSCVKOQPIDCCCY-UHFFFAOYSA-N 2 2 439.548 5.794 1 0 IKAFLP CC[N@@H+]1CC[C@H]2c3ccccc3N[C@@H]2[C@H]1CCCc1[nH+]ccc2c3cc(O)ccc3n(C)c21 ZINC000095486025 560061827 /nfs/dbraw/zinc/06/18/27/560061827.db2.gz ZJLMRBDQLLZXAL-BAURHKQJSA-N 2 2 440.591 5.427 1 0 biogenic,in-vitro IKAFLP CC[N@H+]1CC[C@H]2c3ccccc3N[C@@H]2[C@H]1CCCc1[nH+]ccc2c3cc(O)ccc3n(C)c21 ZINC000095486025 560061829 /nfs/dbraw/zinc/06/18/29/560061829.db2.gz ZJLMRBDQLLZXAL-BAURHKQJSA-N 2 2 440.591 5.427 1 0 biogenic,in-vitro IKAFLP Cc1c(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c2cc(CC(C)C)cc3c2n1CCC3 ZINC000000599028 562918601 /nfs/dbraw/zinc/91/86/01/562918601.db2.gz FAFPTRSSYYJGEX-UHFFFAOYSA-N 2 2 430.640 5.163 1 0 investigational IKAFLP c1cc2cc(Nc3cc[nH+]c4cc(-c5ccc(C[NH+]6CCOCC6)cc5)sc43)ccc2[nH]1 ZINC000013588192 562995915 /nfs/dbraw/zinc/99/59/15/562995915.db2.gz JCKSFAJUCQVQOF-UHFFFAOYSA-N 2 2 440.572 6.020 1 0 IKAFLP Cc1cccc(C)c1Nc1ncc(-c2cccc(OC[C@@H]3CCC[N@@H+](C)C3)c2)n2c[nH+]cc12 ZINC000013981062 563014168 /nfs/dbraw/zinc/01/41/68/563014168.db2.gz CMZVYJMYCACHOM-OAQYLSRUSA-N 2 2 441.579 5.477 1 0 IKAFLP Cc1cccc(C)c1Nc1ncc(-c2cccc(OC[C@@H]3CCC[N@H+](C)C3)c2)n2c[nH+]cc12 ZINC000013981062 563014169 /nfs/dbraw/zinc/01/41/69/563014169.db2.gz CMZVYJMYCACHOM-OAQYLSRUSA-N 2 2 441.579 5.477 1 0 IKAFLP CC[NH+](CC)CCCNc1cc2c(c[nH+]1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C ZINC000021289520 563025318 /nfs/dbraw/zinc/02/53/18/563025318.db2.gz DHTNVMBSGAPRGN-UHFFFAOYSA-N 2 2 433.383 5.051 1 0 IKAFLP C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cl)c1cccc2ccccc21 ZINC000027077142 563038973 /nfs/dbraw/zinc/03/89/73/563038973.db2.gz BXUXAOCUFNDQLK-PXDATVDWSA-N 2 2 429.007 6.545 1 0 IKAFLP C[C@@H]([NH2+]C[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cl)c1cccc2ccccc21 ZINC000027077154 563039014 /nfs/dbraw/zinc/03/90/14/563039014.db2.gz BXUXAOCUFNDQLK-BWKNWUBXSA-N 2 2 429.007 6.545 1 0 IKAFLP CCCC[C@@H]1CCc2cc(O)cc3c(CC[NH+]4CCN(c5cc(C)cc[nH+]5)CC4)c(C)n1c32 ZINC000027734859 563046351 /nfs/dbraw/zinc/04/63/51/563046351.db2.gz GLTHSRFPHHLMIW-HSZRJFAPSA-N 2 2 446.639 5.401 1 0 IKAFLP Cc1cccc(C)c1Nc1ncc(-c2cccc(OCC[NH+]3CCCC3)c2)n2c[nH+]cc12 ZINC000028639382 563059969 /nfs/dbraw/zinc/05/99/69/563059969.db2.gz OMBAXNRFGPUFNZ-UHFFFAOYSA-N 2 2 427.552 5.231 1 0 IKAFLP CCc1[nH+]c2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1C/C(C)=C/c1cccc(N)c1 ZINC000028758742 563063520 /nfs/dbraw/zinc/06/35/20/563063520.db2.gz LGUMIBZFRCAMKL-HLFXFWDMSA-N 2 2 431.584 5.125 1 0 IKAFLP CC[N@@H+](Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)CC1CCC1 ZINC000028903750 563069235 /nfs/dbraw/zinc/06/92/35/563069235.db2.gz YAUNEGRGWKDMDO-UHFFFAOYSA-N 2 2 436.003 5.874 1 0 IKAFLP CC[N@H+](Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)CC1CCC1 ZINC000028903750 563069237 /nfs/dbraw/zinc/06/92/37/563069237.db2.gz YAUNEGRGWKDMDO-UHFFFAOYSA-N 2 2 436.003 5.874 1 0 IKAFLP Clc1cccc([C@](c2cccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)c1 ZINC000029134905 563076068 /nfs/dbraw/zinc/07/60/68/563076068.db2.gz YPJMHYIATBWPDM-VWLOTQADSA-N 2 2 434.008 6.034 1 0 IKAFLP CC[NH+](CC)Cc1ccc([C@@](c2ccccc2)(c2ccc(Cl)cc2)n2cc[nH+]c2)cc1 ZINC000029134941 563076124 /nfs/dbraw/zinc/07/61/24/563076124.db2.gz YJIZZBOMVWCSDY-MHZLTWQESA-N 2 2 429.995 6.219 1 0 IKAFLP C[C@@H](Cn1c2ccccc2[nH+]c1NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000029558846 563082204 /nfs/dbraw/zinc/08/22/04/563082204.db2.gz PPKVHBYTSUNEDJ-QHCPKHFHSA-N 2 2 438.619 5.959 1 0 IKAFLP Clc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000029560442 563082294 /nfs/dbraw/zinc/08/22/94/563082294.db2.gz OORNAVZMLHZXMN-UHFFFAOYSA-N 2 2 445.010 5.857 1 0 IKAFLP C[C@H](c1ccc(F)cc1)n1c2ccccc2[nH+]c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000029569223 563082947 /nfs/dbraw/zinc/08/29/47/563082947.db2.gz ZJCNMXJGFOYQRQ-OAQYLSRUSA-N 2 2 442.582 5.904 1 0 IKAFLP Fc1ccccc1Cn1c2ccccc2[nH+]c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000029569430 563082986 /nfs/dbraw/zinc/08/29/86/563082986.db2.gz UJXGEBAZHAIXFP-UHFFFAOYSA-N 2 2 428.555 5.343 1 0 IKAFLP C[NH2+]CC[NH2+]Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045168161 563122610 /nfs/dbraw/zinc/12/26/10/563122610.db2.gz CCTFXHZKEREXMV-UHFFFAOYSA-N 2 2 430.499 5.286 1 0 IKAFLP CN(C)CC[NH2+]Cc1ccc(-c2ccc3c(Nc4ccc(Cl)cc4F)cc[nH+]c3c2)o1 ZINC000045210917 563125325 /nfs/dbraw/zinc/12/53/25/563125325.db2.gz SQVAAFGJEOMTHQ-UHFFFAOYSA-N 2 2 438.934 5.682 1 0 IKAFLP C[NH+](C)CCNCc1ccc(-c2ccc3c(Nc4ccc(Cl)cc4F)cc[nH+]c3c2)o1 ZINC000045210917 563125326 /nfs/dbraw/zinc/12/53/26/563125326.db2.gz SQVAAFGJEOMTHQ-UHFFFAOYSA-N 2 2 438.934 5.682 1 0 IKAFLP CC(C)=CCC/C(C)=C/[C@@H](Cc1ccc(F)cc1)[NH2+]CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000045255362 563127230 /nfs/dbraw/zinc/12/72/30/563127230.db2.gz OMPNVHGBPJXSBP-JJNLPCPESA-N 2 2 438.675 6.433 1 0 IKAFLP CC(C)=CCC/C(C)=C/[C@H](Cc1ccc(F)cc1)[NH2+]CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000045255366 563127233 /nfs/dbraw/zinc/12/72/33/563127233.db2.gz OMPNVHGBPJXSBP-OSTDKLPVSA-N 2 2 438.675 6.433 1 0 IKAFLP C[N@H+](CC[NH3+])Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045321707 563130309 /nfs/dbraw/zinc/13/03/09/563130309.db2.gz WQLNJIRHBFLEQE-UHFFFAOYSA-N 2 2 430.499 5.368 1 0 IKAFLP C[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045321707 563130310 /nfs/dbraw/zinc/13/03/10/563130310.db2.gz WQLNJIRHBFLEQE-UHFFFAOYSA-N 2 2 430.499 5.368 1 0 IKAFLP CCc1cn(-c2ccc(-c3csc(Nc4ccc([NH+](CC)CC)cc4C)n3)cc2)c[nH+]1 ZINC000095575420 563185638 /nfs/dbraw/zinc/18/56/38/563185638.db2.gz OTVVJQWJPIYMSD-UHFFFAOYSA-N 2 2 431.609 6.456 1 0 IKAFLP