smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)n1 ZINC000023145063 936384741 /nfs/dbraw/zinc/38/47/41/936384741.db2.gz WTPOUYVPOVRVTE-IBGZPJMESA-N 1 0 374.488 3.595 50 0 FHAARO c1csc(CCOc2cc(-c3cccnc3)cc3c2OCC[NH2+]C3)c1 ZINC000299770900 945125861 /nfs/dbraw/zinc/12/58/61/945125861.db2.gz SJVTWGGQSGPAAU-UHFFFAOYSA-N 1 0 352.459 3.914 50 0 FHAARO COc1cc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc(Br)c1O ZINC000023279661 939962669 /nfs/dbraw/zinc/96/26/69/939962669.db2.gz YKZLHVOXMLSVTE-MRXNPFEDSA-N 1 0 373.250 3.880 50 0 FHAARO COc1cc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc(Br)c1O ZINC000023279658 939962864 /nfs/dbraw/zinc/96/28/64/939962864.db2.gz YKZLHVOXMLSVTE-INIZCTEOSA-N 1 0 373.250 3.880 50 0 FHAARO COc1cc(C[C@H](C)[NH+]2CCN(C/C=C/c3ccccc3)CC2)ccc1O ZINC000023281064 939966248 /nfs/dbraw/zinc/96/62/48/939966248.db2.gz XZVWXUVQSALEME-AIADIJKESA-N 1 0 366.505 3.663 50 0 FHAARO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)OCO2 ZINC000177323717 940115678 /nfs/dbraw/zinc/11/56/78/940115678.db2.gz ACKQTSUYDCTJBW-OAHLLOKOSA-N 1 0 373.497 3.573 50 0 FHAARO CCCCc1nc(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)c[nH]1 ZINC000023375056 940296872 /nfs/dbraw/zinc/29/68/72/940296872.db2.gz GKNIWESZSXBLPR-OAQYLSRUSA-N 1 0 352.526 3.775 50 0 FHAARO COc1cccc2c1CCC[C@H]2[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000194962063 940335565 /nfs/dbraw/zinc/33/55/65/940335565.db2.gz DYICOKUTUWKVTN-LVKMRUPZSA-N 1 0 352.478 3.888 50 0 FHAARO CC(C)NC(=O)N1CCC([N@@H+]2CC3(CCCCC3)[C@H]2c2ccncc2)CC1 ZINC000581802036 940610234 /nfs/dbraw/zinc/61/02/34/940610234.db2.gz FNTFLDUEAPBUIH-HXUWFJFHSA-N 1 0 370.541 3.971 50 0 FHAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000581808757 940617116 /nfs/dbraw/zinc/61/71/16/940617116.db2.gz KEQZZICSEJEOMI-MRXNPFEDSA-N 1 0 353.466 3.700 50 0 FHAARO CC(C)Cc1cc(=O)[nH]c(-c2cccc(C[N@H+](C)Cc3ccoc3)c2)n1 ZINC000023581160 940744252 /nfs/dbraw/zinc/74/42/52/940744252.db2.gz DGLYOHCENXPGRR-UHFFFAOYSA-N 1 0 351.450 3.860 50 0 FHAARO Cc1[nH]c2ccc(F)cc2c1CC[NH+]1CCC(O)(c2ccccn2)CC1 ZINC000020653829 941898019 /nfs/dbraw/zinc/89/80/19/941898019.db2.gz DUCLDXAKNHQEEA-UHFFFAOYSA-N 1 0 353.441 3.537 50 0 FHAARO Oc1ccc(C[N@@H+]2CCC[C@@H](CCc3nc(-c4cccnc4)no3)C2)cc1 ZINC000257190590 942650743 /nfs/dbraw/zinc/65/07/43/942650743.db2.gz MZRNWGWBIOWGIF-INIZCTEOSA-N 1 0 364.449 3.682 50 0 FHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1CCCc2occc21 ZINC000126378321 943198055 /nfs/dbraw/zinc/19/80/55/943198055.db2.gz VPNOCLHEYHQPSQ-IRXDYDNUSA-N 1 0 357.454 3.776 50 0 FHAARO COCc1nnc2n1CCC1(CC[NH+](Cc3ccccc3Cl)CC1)CC2 ZINC000675012777 943611646 /nfs/dbraw/zinc/61/16/46/943611646.db2.gz RNXAWUTXXIBUPX-UHFFFAOYSA-N 1 0 374.916 3.697 50 0 FHAARO CC(C)CN1CCc2nc[nH]c2[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000675012731 943611667 /nfs/dbraw/zinc/61/16/67/943611667.db2.gz QFHTXYVVNUEKFJ-JOCHJYFZSA-N 1 0 352.526 3.877 50 0 FHAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccc(F)cc3)CC2)nc1 ZINC000675017067 943626002 /nfs/dbraw/zinc/62/60/02/943626002.db2.gz PPZZJWWJQWMXCG-UHFFFAOYSA-N 1 0 367.468 3.686 50 0 FHAARO CCn1cc(C[N@@H+]2CCC[C@H]2CCc2noc(-c3ccccc3)n2)c(C)n1 ZINC000675019844 943630126 /nfs/dbraw/zinc/63/01/26/943630126.db2.gz KLACKQQFYDVYBU-IBGZPJMESA-N 1 0 365.481 3.859 50 0 FHAARO Fc1ccc(-c2nc(CCC3CC[NH+](C4CCOCC4)CC3)no2)cc1 ZINC000675020357 943631326 /nfs/dbraw/zinc/63/13/26/943631326.db2.gz XDBXCRTVFDHFQX-UHFFFAOYSA-N 1 0 359.445 3.699 50 0 FHAARO c1ccc(C[NH+]2CCC(CCc3noc(C4CCOCC4)n3)CC2)cc1 ZINC000675025580 943650192 /nfs/dbraw/zinc/65/01/92/943650192.db2.gz WCCRSZIZMKGWHK-UHFFFAOYSA-N 1 0 355.482 3.808 50 0 FHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000000755659 948017710 /nfs/dbraw/zinc/01/77/10/948017710.db2.gz ONIVCUKMZNQYTF-LBPRGKRZSA-N 1 0 359.333 3.591 50 0 FHAARO O[C@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc(-c2ccncc2)cs1 ZINC000004916086 203809487 /nfs/dbraw/zinc/80/94/87/203809487.db2.gz ZKEVILHGHHTJSI-NHYWBVRUSA-N 1 0 368.384 3.822 50 0 FHAARO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)ccc1OCc1c(C)noc1C ZINC000030908429 203872084 /nfs/dbraw/zinc/87/20/84/203872084.db2.gz GIKJWFLRUICSBJ-KDOFPFPSSA-N 1 0 360.454 3.536 50 0 FHAARO COc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000000623186 203934582 /nfs/dbraw/zinc/93/45/82/203934582.db2.gz SYADZNLBJDYLKP-NRFANRHFSA-N 1 0 371.888 3.999 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000010329629 204009999 /nfs/dbraw/zinc/00/99/99/204009999.db2.gz RZLGQNXUSRXMTJ-INIZCTEOSA-N 1 0 365.246 3.621 50 0 FHAARO COc1ccc([C@@]2(O)C[N+](c3cc(C)ccc3C)=C3CCCCN32)cc1 ZINC000002966275 204071553 /nfs/dbraw/zinc/07/15/53/204071553.db2.gz GCFHHIRLATYUIF-QFIPXVFZSA-N 1 0 351.470 3.572 50 0 FHAARO CCOc1ccc(N2C[C@](O)(c3ccccc3)[N+]3=C2CCCCC3)cc1 ZINC000002974601 204072089 /nfs/dbraw/zinc/07/20/89/204072089.db2.gz WWSIZDRAMBUFEP-QFIPXVFZSA-N 1 0 351.470 3.736 50 0 FHAARO S=C(NCCc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000003335612 204091982 /nfs/dbraw/zinc/09/19/82/204091982.db2.gz LAZFFFRIVAOXRY-SFHVURJKSA-N 1 0 357.523 3.513 50 0 FHAARO CCc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccncc2)cc1 ZINC000003049877 204075517 /nfs/dbraw/zinc/07/55/17/204075517.db2.gz MAKMMGWLCYRFCU-MRXNPFEDSA-N 1 0 356.539 3.966 50 0 FHAARO C[N@H+](C[C@@H]1CCCO1)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000003058118 204076827 /nfs/dbraw/zinc/07/68/27/204076827.db2.gz RBEPVCSXNNCGRG-KRWDZBQOSA-N 1 0 367.946 3.612 50 0 FHAARO C[C@@H](NC(=S)NCCc1ccccc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211445 204081938 /nfs/dbraw/zinc/08/19/38/204081938.db2.gz NRQMKRQAOPNFFE-APWZRJJASA-N 1 0 373.591 3.980 50 0 FHAARO CC[C@H]1CSC2=[N+](c3ccccc3)[C@](O)(c3ccc(Cl)cc3)CN21 ZINC000002597987 204044652 /nfs/dbraw/zinc/04/46/52/204044652.db2.gz RVDRUURPQNKSIT-QFBILLFUSA-N 1 0 359.902 3.899 50 0 FHAARO CC[NH+](CC)CCCNCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000002649458 204049329 /nfs/dbraw/zinc/04/93/29/204049329.db2.gz SAFMZKGYJQZKFU-UHFFFAOYSA-N 1 0 365.827 3.619 50 0 FHAARO CCc1ccc(OCc2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000002761504 204055779 /nfs/dbraw/zinc/05/57/79/204055779.db2.gz FGXMJUBJWIASLT-OAQYLSRUSA-N 1 0 364.489 3.748 50 0 FHAARO Ic1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000002838824 204061353 /nfs/dbraw/zinc/06/13/53/204061353.db2.gz FLCLFNIITOJFQV-UHFFFAOYSA-N 1 0 359.251 3.936 50 0 FHAARO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000004118681 204122220 /nfs/dbraw/zinc/12/22/20/204122220.db2.gz PWPDBLHJOLYQGO-UHFFFAOYSA-N 1 0 357.885 3.533 50 0 FHAARO COc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000003376655 204096827 /nfs/dbraw/zinc/09/68/27/204096827.db2.gz LFSGPAYFZBTLNW-FQEVSTJZSA-N 1 0 372.896 3.844 50 0 FHAARO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000004657435 204152752 /nfs/dbraw/zinc/15/27/52/204152752.db2.gz JURWXSNGOKZFGL-UHFFFAOYSA-N 1 0 370.921 3.920 50 0 FHAARO COc1cccc(-c2c[nH+]c(NCc3cccc(OC)c3OC)n2C)c1 ZINC000004678543 204154358 /nfs/dbraw/zinc/15/43/58/204154358.db2.gz NZWWVTBZARXXMH-UHFFFAOYSA-N 1 0 353.422 3.725 50 0 FHAARO O=C([C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1)N1CCCCC1 ZINC000004746163 204159811 /nfs/dbraw/zinc/15/98/11/204159811.db2.gz QAWVNVBIWZKJJF-INIZCTEOSA-N 1 0 365.315 3.674 50 0 FHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000004741627 204160033 /nfs/dbraw/zinc/16/00/33/204160033.db2.gz LARYCWKUWOUFCG-HXUWFJFHSA-N 1 0 369.428 3.902 50 0 FHAARO O=C(c1ccccc1Br)N1CC[NH+](C2CCCCC2)CC1 ZINC000004805613 204164128 /nfs/dbraw/zinc/16/41/28/204164128.db2.gz LQAPDHRJIOZCPY-UHFFFAOYSA-N 1 0 351.288 3.540 50 0 FHAARO C[C@H]1C(c2cccs2)[N+](=O)[C@@](C)(c2ccc(Br)cc2)N1O ZINC000004426789 204138138 /nfs/dbraw/zinc/13/81/38/204138138.db2.gz NLJREFMPITYUBU-BONVTDFDSA-N 1 0 367.268 3.776 50 0 FHAARO COc1cc(C[NH2+][C@H](C)Cc2ccco2)cc(Br)c1OC ZINC000035254476 204204410 /nfs/dbraw/zinc/20/44/10/204204410.db2.gz DYWMVZDBONSALV-LLVKDONJSA-N 1 0 354.244 3.780 50 0 FHAARO O=C(CC[NH+]1CCCC1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000004942316 204180180 /nfs/dbraw/zinc/18/01/80/204180180.db2.gz IFPJKGLYRZPIDJ-HNNXBMFYSA-N 1 0 359.520 3.973 50 0 FHAARO O[C@@H](C[NH2+]C1CCCCC1)COc1ccc(OCc2ccccc2)cc1 ZINC000004978173 204182199 /nfs/dbraw/zinc/18/21/99/204182199.db2.gz IZDBWDSZYABPIP-FQEVSTJZSA-N 1 0 355.478 3.928 50 0 FHAARO Cc1cc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1Cl ZINC000005704746 204221663 /nfs/dbraw/zinc/22/16/63/204221663.db2.gz SJNMSJJWXVYJAQ-QGZVFWFLSA-N 1 0 362.857 3.574 50 0 FHAARO Cc1ccc(C(=O)CCC(=O)NCc2ccccc2C[NH+](C)C)cc1C ZINC000007065784 204288295 /nfs/dbraw/zinc/28/82/95/204288295.db2.gz ZNZFDRFRZLNYRR-UHFFFAOYSA-N 1 0 352.478 3.644 50 0 FHAARO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000006725947 204262977 /nfs/dbraw/zinc/26/29/77/204262977.db2.gz QRSCQGGVQHJCIR-UHFFFAOYSA-N 1 0 353.466 3.871 50 0 FHAARO CCOC(=O)c1ccc(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000006877165 204278252 /nfs/dbraw/zinc/27/82/52/204278252.db2.gz WIVJQDCRGBPCSF-UHFFFAOYSA-N 1 0 373.497 3.593 50 0 FHAARO Cc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)cc1Cl ZINC000008130444 204318572 /nfs/dbraw/zinc/31/85/72/204318572.db2.gz UHUNXZBXCCVDLJ-UHFFFAOYSA-N 1 0 358.935 3.544 50 0 FHAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000008535317 204334051 /nfs/dbraw/zinc/33/40/51/204334051.db2.gz GPKJDEBNZXWVEQ-MRXNPFEDSA-N 1 0 370.493 3.840 50 0 FHAARO C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000008535070 204334223 /nfs/dbraw/zinc/33/42/23/204334223.db2.gz REOAXZHYSSVYHR-GFCCVEGCSA-N 1 0 368.246 3.638 50 0 FHAARO CCOc1ccc(SCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000008777573 204346834 /nfs/dbraw/zinc/34/68/34/204346834.db2.gz CDHLUELBDREYQD-UHFFFAOYSA-N 1 0 350.528 3.603 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2cc3c(s2)CCC3)[NH+]2CCCC2)cc1 ZINC000009448977 204368739 /nfs/dbraw/zinc/36/87/39/204368739.db2.gz VGRUFVIURIIUEC-SFHVURJKSA-N 1 0 370.518 3.812 50 0 FHAARO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000009500017 204370862 /nfs/dbraw/zinc/37/08/62/204370862.db2.gz SWJVZJPSNLMEIL-MRXNPFEDSA-N 1 0 355.482 3.798 50 0 FHAARO CC1(C)CC(NC(=O)c2cc(F)ccc2Br)CC(C)(C)[NH2+]1 ZINC000009503112 204371905 /nfs/dbraw/zinc/37/19/05/204371905.db2.gz GXVRRMYKIOXUOZ-UHFFFAOYSA-N 1 0 357.267 3.627 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1csc(Nc2ccccc2Cl)n1 ZINC000009777568 204381811 /nfs/dbraw/zinc/38/18/11/204381811.db2.gz WMUDZENMSHJVJF-UHFFFAOYSA-N 1 0 352.891 3.612 50 0 FHAARO C[N@H+](CCCNC(=O)c1cccnc1SC(F)F)Cc1ccccc1 ZINC000009982911 204386992 /nfs/dbraw/zinc/38/69/92/204386992.db2.gz MBGFVXLINXEVKN-UHFFFAOYSA-N 1 0 365.449 3.648 50 0 FHAARO COc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1ccccc1 ZINC000010313994 204394407 /nfs/dbraw/zinc/39/44/07/204394407.db2.gz JRLWWTYHBYSLTQ-UHFFFAOYSA-N 1 0 351.450 3.651 50 0 FHAARO COCCNC(=O)CCC1CC[NH+]([C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000012052476 204427579 /nfs/dbraw/zinc/42/75/79/204427579.db2.gz WPNKNFBNKBGEML-INIZCTEOSA-N 1 0 366.933 3.526 50 0 FHAARO CC1(C)CC(NC(=O)c2cnn(Cc3ccccc3Cl)c2)CC(C)(C)[NH2+]1 ZINC000014189878 204574400 /nfs/dbraw/zinc/57/44/00/204574400.db2.gz GQWGWYRTPAMXFJ-UHFFFAOYSA-N 1 0 374.916 3.624 50 0 FHAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cc(F)ccc2F)c1 ZINC000014886374 204590677 /nfs/dbraw/zinc/59/06/77/204590677.db2.gz IBQNBNRYBUGJCM-SFHVURJKSA-N 1 0 374.431 3.644 50 0 FHAARO CC[NH+](CC)CCCNc1ncnc2onc(-c3cc(F)cc(F)c3)c21 ZINC000021714860 204758228 /nfs/dbraw/zinc/75/82/28/204758228.db2.gz LSUSFAIDIZDBTG-UHFFFAOYSA-N 1 0 361.396 3.707 50 0 FHAARO Cc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(C)c1 ZINC000020946218 204740813 /nfs/dbraw/zinc/74/08/13/204740813.db2.gz HSULLOHZPXCWFE-UHFFFAOYSA-N 1 0 364.555 3.580 50 0 FHAARO Cc1ccc(-c2nnc3ccccc3c2C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000032952930 204949707 /nfs/dbraw/zinc/94/97/07/204949707.db2.gz CYZGFVXBPYCIMF-UHFFFAOYSA-N 1 0 374.488 3.821 50 0 FHAARO CC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COCc1ccccc1 ZINC000036098360 205003138 /nfs/dbraw/zinc/00/31/38/205003138.db2.gz ZNMWFMRGPAPBGG-NQIIRXRSSA-N 1 0 357.494 3.873 50 0 FHAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COCc1ccccc1 ZINC000036102243 205005194 /nfs/dbraw/zinc/00/51/94/205005194.db2.gz KUKMVOKGXBWVIL-RXVVDRJESA-N 1 0 357.494 3.873 50 0 FHAARO O[C@H](COCc1ccco1)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103019 205005695 /nfs/dbraw/zinc/00/56/95/205005695.db2.gz HOYHPUDPGOWWIF-FQEVSTJZSA-N 1 0 369.436 3.999 50 0 FHAARO COCCC[N@@H+](Cc1ccccc1C)C[C@@H](O)COc1ccccc1C ZINC000036099928 205005831 /nfs/dbraw/zinc/00/58/31/205005831.db2.gz YRNDHUBVHGYSEM-OAQYLSRUSA-N 1 0 357.494 3.582 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000036345197 205009956 /nfs/dbraw/zinc/00/99/56/205009956.db2.gz ICRQWXDKXITSHN-FQEVSTJZSA-N 1 0 353.441 3.845 50 0 FHAARO O=C(N[C@@H]1CCCc2c1cnn2-c1cc[nH+]cc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000071195728 205026920 /nfs/dbraw/zinc/02/69/20/205026920.db2.gz FCTJTNUMHNLONK-QWFCFKBJSA-N 1 0 358.445 3.565 50 0 FHAARO c1csc(CN(Cc2ccccc2)c2cc([C@@H]3CCC[NH2+]C3)ncn2)n1 ZINC000039445307 205046009 /nfs/dbraw/zinc/04/60/09/205046009.db2.gz ZQSYWCCYLCIFLH-QGZVFWFLSA-N 1 0 365.506 3.607 50 0 FHAARO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000039762397 205047989 /nfs/dbraw/zinc/04/79/89/205047989.db2.gz DXGCSAOQHFFGGC-UHFFFAOYSA-N 1 0 354.450 3.555 50 0 FHAARO Cc1nc2ccc(NC(=O)NCc3ccccc3C[NH+](C)C)cc2s1 ZINC000040103263 205054460 /nfs/dbraw/zinc/05/44/60/205054460.db2.gz QJPDRKZFEFHLTA-UHFFFAOYSA-N 1 0 354.479 3.988 50 0 FHAARO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Br)c1OC(C)C ZINC000040728858 205078758 /nfs/dbraw/zinc/07/87/58/205078758.db2.gz VNNNRXNXEGMDQK-CYBMUJFWSA-N 1 0 358.276 3.514 50 0 FHAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]CCOCCO)c1 ZINC000040734929 205078959 /nfs/dbraw/zinc/07/89/59/205078959.db2.gz GKAFQXGILOQQPT-UHFFFAOYSA-N 1 0 365.473 3.826 50 0 FHAARO Clc1cccc(COc2ccccc2C[NH2+]CCCN2CCOCC2)c1 ZINC000040719926 205077365 /nfs/dbraw/zinc/07/73/65/205077365.db2.gz COXPLQSUFFBEKI-UHFFFAOYSA-N 1 0 374.912 3.731 50 0 FHAARO CC(C)Oc1c(Cl)cc(C[NH2+]CCCN2CCOCC2)cc1Cl ZINC000040719684 205077961 /nfs/dbraw/zinc/07/79/61/205077961.db2.gz VKMIEFJMWQDDCU-UHFFFAOYSA-N 1 0 361.313 3.593 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000043006414 205100023 /nfs/dbraw/zinc/10/00/23/205100023.db2.gz UUIHFSBMIOWREW-GFCCVEGCSA-N 1 0 359.297 3.750 50 0 FHAARO COc1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc2c1OCO2 ZINC000043164411 205101339 /nfs/dbraw/zinc/10/13/39/205101339.db2.gz MAZLTZVQVGVUSI-NQIIRXRSSA-N 1 0 372.509 3.653 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000043165589 205101466 /nfs/dbraw/zinc/10/14/66/205101466.db2.gz KVVFCTWEPDRTQE-ZIFCJYIRSA-N 1 0 359.514 3.568 50 0 FHAARO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)no1 ZINC000046437955 205135741 /nfs/dbraw/zinc/13/57/41/205135741.db2.gz ZLLDDGIUQCAJNO-CQSZACIVSA-N 1 0 356.451 3.758 50 0 FHAARO CC(=O)Nc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)cc1 ZINC000046804755 205138237 /nfs/dbraw/zinc/13/82/37/205138237.db2.gz FEJODCXNUXYXDX-OLZOCXBDSA-N 1 0 359.857 3.976 50 0 FHAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000048338642 205159518 /nfs/dbraw/zinc/15/95/18/205159518.db2.gz ZIUILOXWKVCCAC-LBPRGKRZSA-N 1 0 359.297 3.751 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CC[C@@H]2CCCO2)C1 ZINC000048313396 205157745 /nfs/dbraw/zinc/15/77/45/205157745.db2.gz KJEIFEBGOPQSEM-UEXGIBASSA-N 1 0 358.526 3.740 50 0 FHAARO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCC(C)C)CC3)n2)cc1F ZINC000048366496 205161505 /nfs/dbraw/zinc/16/15/05/205161505.db2.gz LUNABOSJJPCHRV-MRXNPFEDSA-N 1 0 360.477 3.909 50 0 FHAARO O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@@H]1CC[NH2+]C1 ZINC000055098947 205207161 /nfs/dbraw/zinc/20/71/61/205207161.db2.gz IORYSVLFKFYUNW-SYJIQKIWSA-N 1 0 359.429 3.659 50 0 FHAARO Cc1cccc(-c2ncc(C[NH2+]Cc3ccccc3Cn3cccn3)cn2)c1 ZINC000055228635 205210937 /nfs/dbraw/zinc/21/09/37/205210937.db2.gz FAMRWURPWAWNMQ-UHFFFAOYSA-N 1 0 369.472 3.987 50 0 FHAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000055357640 205216516 /nfs/dbraw/zinc/21/65/16/205216516.db2.gz RNBCBWUINSRJLF-UHFFFAOYSA-N 1 0 369.534 3.979 50 0 FHAARO O=C(NCCC[NH+]1CCCCCC1)c1cc(F)ccc1Br ZINC000053271571 205192676 /nfs/dbraw/zinc/19/26/76/205192676.db2.gz CHUGDNOMHKVIKQ-UHFFFAOYSA-N 1 0 357.267 3.584 50 0 FHAARO C[NH+](C)[C@@H](CNc1ncnc2c1cnn2-c1ccccc1)c1cccs1 ZINC000057318518 205237019 /nfs/dbraw/zinc/23/70/19/205237019.db2.gz QZKVDRVRCHLVSG-INIZCTEOSA-N 1 0 364.478 3.592 50 0 FHAARO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC000057873076 205245704 /nfs/dbraw/zinc/24/57/04/205245704.db2.gz BXAQIBVFSCYUFF-AWEZNQCLSA-N 1 0 371.868 3.756 50 0 FHAARO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000057679510 205244847 /nfs/dbraw/zinc/24/48/47/205244847.db2.gz GQCDOMQAWPVHTN-STQMWFEESA-N 1 0 351.878 3.538 50 0 FHAARO COc1ccc(CNC(=O)[C@@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000058137785 205250762 /nfs/dbraw/zinc/25/07/62/205250762.db2.gz OEKYKPCODCAABJ-CYBMUJFWSA-N 1 0 366.383 3.509 50 0 FHAARO C[C@@H](CNC(=O)CCCc1nc2ccccc2s1)[NH+]1CCC(C)CC1 ZINC000058159276 205250976 /nfs/dbraw/zinc/25/09/76/205250976.db2.gz QKYHWZYZOHNFAJ-INIZCTEOSA-N 1 0 359.539 3.856 50 0 FHAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1 ZINC000058137320 205251231 /nfs/dbraw/zinc/25/12/31/205251231.db2.gz XJABFZDAAYDPJX-INIZCTEOSA-N 1 0 365.477 3.648 50 0 FHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2csc(-c3ccco3)n2)C1 ZINC000058159820 205252399 /nfs/dbraw/zinc/25/23/99/205252399.db2.gz QKBIGEZFKKKZGH-ZBFHGGJFSA-N 1 0 367.474 3.968 50 0 FHAARO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C(=O)Nc2cnccn2)CC1 ZINC000058172460 205253702 /nfs/dbraw/zinc/25/37/02/205253702.db2.gz RKPUKCHZOHDUPX-LBPRGKRZSA-N 1 0 362.836 3.681 50 0 FHAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000058172252 205254746 /nfs/dbraw/zinc/25/47/46/205254746.db2.gz PCABTEFWHNCQAL-KRWDZBQOSA-N 1 0 355.482 3.511 50 0 FHAARO Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1NC(=O)CN1CCCCC1 ZINC000058208643 205260388 /nfs/dbraw/zinc/26/03/88/205260388.db2.gz XPFVIAPHZIOQDP-KRWDZBQOSA-N 1 0 355.482 3.714 50 0 FHAARO OCc1ccccc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000058224451 205264279 /nfs/dbraw/zinc/26/42/79/205264279.db2.gz HMGCGQATXCFPKO-UHFFFAOYSA-N 1 0 361.367 3.673 50 0 FHAARO CC(C)c1nc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cs1 ZINC000058231579 205265282 /nfs/dbraw/zinc/26/52/82/205265282.db2.gz BMUGAVONGDPGHO-UHFFFAOYSA-N 1 0 361.486 3.800 50 0 FHAARO C[N@@H+](Cc1cccnc1)C[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000058330188 205271072 /nfs/dbraw/zinc/27/10/72/205271072.db2.gz IBSXGVNJGXOFTN-QGZVFWFLSA-N 1 0 356.445 3.597 50 0 FHAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000058325565 205271402 /nfs/dbraw/zinc/27/14/02/205271402.db2.gz GHWSVKMPSOIGHC-HNNXBMFYSA-N 1 0 359.470 3.580 50 0 FHAARO Cc1cc(C)n(CCC[N@H+](CCc2ccccc2)C2CCN(C)CC2)n1 ZINC000063834850 205293522 /nfs/dbraw/zinc/29/35/22/205293522.db2.gz ZTAHHSMLDGWMSD-UHFFFAOYSA-N 1 0 354.542 3.529 50 0 FHAARO CC(=O)Nc1ccc(C[N@@H+](CCc2ccccc2)C2CCN(C)CC2)cc1 ZINC000063868093 205295521 /nfs/dbraw/zinc/29/55/21/205295521.db2.gz RUENLOCDGCIBJE-UHFFFAOYSA-N 1 0 365.521 3.784 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000058433902 205275313 /nfs/dbraw/zinc/27/53/13/205275313.db2.gz TXDIYOUOERUXGE-UHFFFAOYSA-N 1 0 373.722 3.953 50 0 FHAARO O=C(C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1)NCc1ccccc1F ZINC000058428719 205275546 /nfs/dbraw/zinc/27/55/46/205275546.db2.gz ZRHNCEAUHXEUJD-UHFFFAOYSA-N 1 0 365.452 3.803 50 0 FHAARO O=C(Nc1cccc(F)c1)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255116 205331034 /nfs/dbraw/zinc/33/10/34/205331034.db2.gz CRYGAXMNYFSBSP-UHFFFAOYSA-N 1 0 352.413 3.524 50 0 FHAARO O=C(Nc1cc(F)ccc1F)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255126 205331539 /nfs/dbraw/zinc/33/15/39/205331539.db2.gz VGPHISRWRJFWOE-UHFFFAOYSA-N 1 0 370.403 3.663 50 0 FHAARO O=C(NCc1ccc(F)cc1F)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818086 205306486 /nfs/dbraw/zinc/30/64/86/205306486.db2.gz BKYXKGVJBPDNIV-UHFFFAOYSA-N 1 0 360.379 3.552 50 0 FHAARO Cc1cc2[nH]c(C(=O)NCc3ccncc3)c(C[NH+]3CCCCC3)c2s1 ZINC000065138914 205319388 /nfs/dbraw/zinc/31/93/88/205319388.db2.gz ACKTZJJBSMRBHU-UHFFFAOYSA-N 1 0 368.506 3.849 50 0 FHAARO COc1ccc(F)c(CN2CCC[N@H+](Cc3ccncc3)CC2)c1Cl ZINC000065461041 205352234 /nfs/dbraw/zinc/35/22/34/205352234.db2.gz DBFOJKRCRLDTFF-UHFFFAOYSA-N 1 0 363.864 3.591 50 0 FHAARO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC000065513927 205356357 /nfs/dbraw/zinc/35/63/57/205356357.db2.gz ZBUGEDCIGQBLSB-KKSFZXQISA-N 1 0 374.529 3.913 50 0 FHAARO C[C@H](CC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000065587488 205360326 /nfs/dbraw/zinc/36/03/26/205360326.db2.gz JGEPTCUNNGJRSO-RHSMWYFYSA-N 1 0 354.416 3.896 50 0 FHAARO Cc1cccc(C)c1OCC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1 ZINC000065563055 205360460 /nfs/dbraw/zinc/36/04/60/205360460.db2.gz GXHIERKEPGOMAH-UHFFFAOYSA-N 1 0 370.518 3.870 50 0 FHAARO COc1ccc2nc3oc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)cc3cc2c1 ZINC000065331042 205337328 /nfs/dbraw/zinc/33/73/28/205337328.db2.gz AROGZXRBIJVPAU-AWEZNQCLSA-N 1 0 367.449 3.594 50 0 FHAARO Cc1cc(C)c2oc(=O)cc(C[N@@H+](C)CCc3noc(C(C)C)n3)c2c1 ZINC000065381332 205342460 /nfs/dbraw/zinc/34/24/60/205342460.db2.gz BNXCRUHOGHJGEW-UHFFFAOYSA-N 1 0 355.438 3.591 50 0 FHAARO CC(=O)c1cccc(-c2cc([C@@H]3CC[N@H+](Cc4cncnc4)C3)ccn2)c1 ZINC000065403722 205346235 /nfs/dbraw/zinc/34/62/35/205346235.db2.gz RPRBGYBOSHRADV-OAQYLSRUSA-N 1 0 358.445 3.731 50 0 FHAARO COc1cccc(C[C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000065403438 205346540 /nfs/dbraw/zinc/34/65/40/205346540.db2.gz LOHIYEHYFHYSMT-GOSISDBHSA-N 1 0 366.505 3.829 50 0 FHAARO Cc1cccc(NC(=O)C[NH2+]CC2(c3ccccc3)CCOCC2)c1C ZINC000065397851 205347134 /nfs/dbraw/zinc/34/71/34/205347134.db2.gz BLWUVACFJABGPW-UHFFFAOYSA-N 1 0 352.478 3.580 50 0 FHAARO COc1ccc(-c2nc(CN3[C@@H]4CC[C@H]3C[NH2+]C4)c(C)o2)c2ccccc12 ZINC000067821022 205393675 /nfs/dbraw/zinc/39/36/75/205393675.db2.gz NZRIASCFZKONEM-IYBDPMFKSA-N 1 0 363.461 3.748 50 0 FHAARO CCCCc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C(C)(C)C)C3)[nH]1 ZINC000067515126 205375143 /nfs/dbraw/zinc/37/51/43/205375143.db2.gz AJCWBWFQKTVPDB-NRFANRHFSA-N 1 0 360.546 3.613 50 0 FHAARO Cc1nc(C2CC[NH2+]CC2)cc(N2CCC[C@@H]2CCc2ccccc2)n1 ZINC000067676004 205381568 /nfs/dbraw/zinc/38/15/68/205381568.db2.gz KTPONLADDAQDFI-HXUWFJFHSA-N 1 0 350.510 3.854 50 0 FHAARO COc1ccccc1-n1cc(C2=CC[N@H+](CCc3ccccn3)CC2)cn1 ZINC000067690932 205383361 /nfs/dbraw/zinc/38/33/61/205383361.db2.gz AZZONFOGFBNPKJ-UHFFFAOYSA-N 1 0 360.461 3.608 50 0 FHAARO C[N@H+](CC[C@H]1CCCCO1)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067695682 205383832 /nfs/dbraw/zinc/38/38/32/205383832.db2.gz MNAAJQVSFGJQCA-LJQANCHMSA-N 1 0 350.466 3.787 50 0 FHAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[NH+]1CCC(CO)CC1 ZINC000067712897 205385257 /nfs/dbraw/zinc/38/52/57/205385257.db2.gz WMRKVYOAZQKJOI-UHFFFAOYSA-N 1 0 354.372 3.873 50 0 FHAARO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@H+](CCc1cn[nH]c1)C2 ZINC000067712710 205386082 /nfs/dbraw/zinc/38/60/82/205386082.db2.gz RCZHBAMXIJDGRK-UHFFFAOYSA-N 1 0 369.490 3.892 50 0 FHAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C[C@H]1CCC[NH2+]C1)C2 ZINC000067724153 205387847 /nfs/dbraw/zinc/38/78/47/205387847.db2.gz DLKJGKDHTHCJSC-HNNXBMFYSA-N 1 0 372.896 3.907 50 0 FHAARO Cc1cc2c(c(-c3ncnc(Oc4cccnc4C)c3C)c1)O[C@@H](C[NH3+])C2 ZINC000067727058 205388239 /nfs/dbraw/zinc/38/82/39/205388239.db2.gz XRNZSXZYYVOXFY-MRXNPFEDSA-N 1 0 362.433 3.518 50 0 FHAARO Cc1cc(C[NH+]2CCCCC2)cc(C)c1Oc1cncc(C(=O)N(C)C)n1 ZINC000067770203 205388743 /nfs/dbraw/zinc/38/87/43/205388743.db2.gz WPRLPUOBLXQGSR-UHFFFAOYSA-N 1 0 368.481 3.573 50 0 FHAARO C[C@H](c1ccc(-c2ccc(-c3nnc(N)s3)cc2)cc1)[NH+]1CCOCC1 ZINC000067755850 205389663 /nfs/dbraw/zinc/38/96/63/205389663.db2.gz WFCUNLMOPWBKPF-CQSZACIVSA-N 1 0 366.490 3.848 50 0 FHAARO CC1(C)C[C@H](C[N@@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)CCO1 ZINC000067805880 205392773 /nfs/dbraw/zinc/39/27/73/205392773.db2.gz QNPHCYDXQSALLT-MRXNPFEDSA-N 1 0 368.477 3.854 50 0 FHAARO COC1(c2ccccc2)CC[NH+](Cc2cc3ccc(C)cc3[nH]c2=O)CC1 ZINC000067804379 205393093 /nfs/dbraw/zinc/39/30/93/205393093.db2.gz HKGNLKAIESRYGF-UHFFFAOYSA-N 1 0 362.473 3.974 50 0 FHAARO Oc1cccc2ccc(C[NH+]3CCC([C@@H](O)Cc4ccccc4)CC3)nc12 ZINC000067833623 205395125 /nfs/dbraw/zinc/39/51/25/205395125.db2.gz ZQDOBNJWENKSMF-QFIPXVFZSA-N 1 0 362.473 3.756 50 0 FHAARO O[C@@H](C[N@@H+]1CCc2onc(-c3ccc(F)c(F)c3)c2C1)c1ccccc1 ZINC000067851518 205397703 /nfs/dbraw/zinc/39/77/03/205397703.db2.gz IYLUSKLNGJQIPC-SFHVURJKSA-N 1 0 356.372 3.712 50 0 FHAARO c1nc(-c2ccccc2)c(-c2cc3ccccc3[nH]2)n1C[C@H]1C[NH2+]CCO1 ZINC000067850324 205397727 /nfs/dbraw/zinc/39/77/27/205397727.db2.gz MTGLVGSICZODKD-GOSISDBHSA-N 1 0 358.445 3.687 50 0 FHAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3cccc(C(C)C)c3)cnn2c1 ZINC000067856336 205397838 /nfs/dbraw/zinc/39/78/38/205397838.db2.gz NCEGOMULZHMGDU-UHFFFAOYSA-N 1 0 365.481 3.947 50 0 FHAARO COc1cc2[nH+]c(N3CCC[C@@H](c4cc[nH]n4)C3)cc(C)c2c(OC)c1 ZINC000067878338 205399067 /nfs/dbraw/zinc/39/90/67/205399067.db2.gz HXYGHULZUFSQNP-CQSZACIVSA-N 1 0 352.438 3.668 50 0 FHAARO COc1cc2[nH+]c(N3CCC[C@H](c4cc[nH]n4)C3)cc(C)c2c(OC)c1 ZINC000067878336 205399449 /nfs/dbraw/zinc/39/94/49/205399449.db2.gz HXYGHULZUFSQNP-AWEZNQCLSA-N 1 0 352.438 3.668 50 0 FHAARO Cc1noc(-c2ccnc(Oc3ccc(C[NH+]4CCCC4)cc3F)c2)n1 ZINC000067921103 205403917 /nfs/dbraw/zinc/40/39/17/205403917.db2.gz MXXBFAKRFAZMIB-UHFFFAOYSA-N 1 0 354.385 3.967 50 0 FHAARO C[C@H](C1CCN(C(=O)c2ncoc2-c2ccccc2)CC1)[NH+]1CCCC1 ZINC000072453814 205553701 /nfs/dbraw/zinc/55/37/01/205553701.db2.gz BRNAYGJAVGKDPI-MRXNPFEDSA-N 1 0 353.466 3.678 50 0 FHAARO C[N@@H+]1CCCC2(CCN(C(=O)c3cccc(CCC(C)(C)O)c3)CC2)CC1 ZINC000072480043 205564191 /nfs/dbraw/zinc/56/41/91/205564191.db2.gz MEFOPTCNNIRFEO-UHFFFAOYSA-N 1 0 372.553 3.728 50 0 FHAARO CC(C)c1noc(C2CC[NH+](Cc3cc(=O)c4cc(F)ccc4[nH]3)CC2)n1 ZINC000091973885 205706702 /nfs/dbraw/zinc/70/67/02/205706702.db2.gz SNRLCRGPNNIZKR-UHFFFAOYSA-N 1 0 370.428 3.966 50 0 FHAARO O=C(c1ccc(N2CCCC2)cc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091725565 205689720 /nfs/dbraw/zinc/68/97/20/205689720.db2.gz SXGJFDOMDDJMKM-DENIHFKCSA-N 1 0 367.537 3.623 50 0 FHAARO O=c1cc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)[nH]c2ccccc12 ZINC000092062075 205713488 /nfs/dbraw/zinc/71/34/88/205713488.db2.gz IIEMHHUGZBUVST-NRFANRHFSA-N 1 0 373.500 3.616 50 0 FHAARO O=C(NCCOCc1ccc(Cl)cc1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095362659 205732133 /nfs/dbraw/zinc/73/21/33/205732133.db2.gz DQUWTPNNUUQDJL-LJQANCHMSA-N 1 0 372.896 3.754 50 0 FHAARO FC(F)(F)c1ccnc(NC[C@@H](c2cccnc2)[NH+]2CCCCC2)n1 ZINC000095388938 205749707 /nfs/dbraw/zinc/74/97/07/205749707.db2.gz QJCLTSSJEWJCQK-AWEZNQCLSA-N 1 0 351.376 3.530 50 0 FHAARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000095505751 205773807 /nfs/dbraw/zinc/77/38/07/205773807.db2.gz OMBCWANUYHTQRO-LJQANCHMSA-N 1 0 352.453 3.920 50 0 FHAARO COc1ccc(NC(=O)N2CCCN(c3cc[nH+]cc3C)CC2)cc1Cl ZINC000097744724 205924402 /nfs/dbraw/zinc/92/44/02/205924402.db2.gz IQHFPBNFIVEGJV-UHFFFAOYSA-N 1 0 374.872 3.796 50 0 FHAARO C[C@@H](c1cccc(-c2ccc(N3CCSCC3)nn2)c1)[NH+]1CCCC1 ZINC000097757980 205925714 /nfs/dbraw/zinc/92/57/14/205925714.db2.gz OWYXCNZDQHJNBR-INIZCTEOSA-N 1 0 354.523 3.854 50 0 FHAARO CCCOc1ccc([C@H](C)NC(=O)NCCC[NH+](C)C)cc1OCCC ZINC000042923234 206011675 /nfs/dbraw/zinc/01/16/75/206011675.db2.gz JCJZHTBERHFKOE-INIZCTEOSA-N 1 0 365.518 3.576 50 0 FHAARO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2cccc3cccnc32)cc1 ZINC000048367710 206084688 /nfs/dbraw/zinc/08/46/88/206084688.db2.gz KFDYCKSCDKCAAP-HXUWFJFHSA-N 1 0 361.445 3.847 50 0 FHAARO CC(C)c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)no1 ZINC000124331222 206115987 /nfs/dbraw/zinc/11/59/87/206115987.db2.gz UXPJSMIUNOARIC-ICSRJNTNSA-N 1 0 367.493 3.925 50 0 FHAARO Cn1c(CNC2CC(C)(C)[NH2+]C(C)(C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000130133210 206125828 /nfs/dbraw/zinc/12/58/28/206125828.db2.gz OFCRSQHCPFCDSL-UHFFFAOYSA-N 1 0 368.447 3.991 50 0 FHAARO C[C@H]([NH2+]C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@H](O)[C@@H]21)c1ccccc1 ZINC000004028411 206164078 /nfs/dbraw/zinc/16/40/78/206164078.db2.gz YSIINEYFHDVBCW-QQDLDYALSA-N 1 0 369.505 3.622 50 0 biogenic FHAARO COc1ccc([C@H](CNc2ncnc3sccc32)[NH+]2CCCC2)cc1 ZINC000006941141 206205867 /nfs/dbraw/zinc/20/58/67/206205867.db2.gz GHBHUIZSQJQIRS-KRWDZBQOSA-N 1 0 354.479 3.949 50 0 FHAARO O=c1[nH]c2ccccc2cc1C[NH2+]CCNc1ncccc1C(F)(F)F ZINC000152755311 206198554 /nfs/dbraw/zinc/19/85/54/206198554.db2.gz KOJIXVJPPRACGJ-UHFFFAOYSA-N 1 0 362.355 3.556 50 0 FHAARO C[NH+](C)CCCNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008390971 206216423 /nfs/dbraw/zinc/21/64/23/206216423.db2.gz DBSKOQORZJACED-CCEZHUSRSA-N 1 0 374.488 3.620 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)Nc2nc(C(F)(F)F)cs2)[NH+](C)C)cc1 ZINC000170596285 206271382 /nfs/dbraw/zinc/27/13/82/206271382.db2.gz BYKPFDOJFINBKI-GFCCVEGCSA-N 1 0 372.416 3.895 50 0 FHAARO CCc1ccc([C@H]2COCCN2C(=O)c2ccc(C[NH+](CC)CC)cc2)o1 ZINC000170633004 206277091 /nfs/dbraw/zinc/27/70/91/206277091.db2.gz QIMIGXYNLSWYSH-HXUWFJFHSA-N 1 0 370.493 3.898 50 0 FHAARO CC(C)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000012751464 206295895 /nfs/dbraw/zinc/29/58/95/206295895.db2.gz DPFWUYMXHYMRFZ-KBXCAEBGSA-N 1 0 366.465 3.560 50 0 FHAARO Cc1[nH]c2c(cccc2C[NH+]2CCN(Cc3ccccc3CO)CC2)c1C ZINC000214985352 206342943 /nfs/dbraw/zinc/34/29/43/206342943.db2.gz JZCXJUOLHJVSSS-UHFFFAOYSA-N 1 0 363.505 3.595 50 0 FHAARO C[N@@H+]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)[C@@H](c2ccccc2)C1 ZINC000215366015 206345951 /nfs/dbraw/zinc/34/59/51/206345951.db2.gz HFDWVDZIXSWSBS-OAQYLSRUSA-N 1 0 350.441 3.500 50 0 FHAARO c1cc([C@H]2CCCCO2)oc1CN1CCC([NH+]2CCSCC2)CC1 ZINC000215562194 206346957 /nfs/dbraw/zinc/34/69/57/206346957.db2.gz FRFAUFOTWVEHHV-GOSISDBHSA-N 1 0 350.528 3.534 50 0 FHAARO c1cc([C@@H]2CCCCO2)oc1CN1CCC([NH+]2CCSCC2)CC1 ZINC000215562149 206347160 /nfs/dbraw/zinc/34/71/60/206347160.db2.gz FRFAUFOTWVEHHV-SFHVURJKSA-N 1 0 350.528 3.534 50 0 FHAARO C[N@H+](Cc1cnc(N2CCCC2)s1)Cc1ccc(-n2cccn2)cc1 ZINC000215741163 206349493 /nfs/dbraw/zinc/34/94/93/206349493.db2.gz ZEJRIHVXHREOKW-UHFFFAOYSA-N 1 0 353.495 3.561 50 0 FHAARO c1cc([C@@H]2CCCO2)sc1CN1CC[NH+](C2CCSCC2)CC1 ZINC000215780936 206352468 /nfs/dbraw/zinc/35/24/68/206352468.db2.gz MWOMPCSSWKDZQR-KRWDZBQOSA-N 1 0 352.569 3.613 50 0 FHAARO c1cc([C@@H]2CCCCO2)oc1CN1CCN(CCOc2ccccc2)CC1 ZINC000216346576 206358428 /nfs/dbraw/zinc/35/84/28/206358428.db2.gz QJTFQDKZXZZQJN-NRFANRHFSA-N 1 0 370.493 3.718 50 0 FHAARO O[C@@H](c1cc2n(n1)CCC[N@H+](Cc1cccc3cc[nH]c31)C2)C1CCC1 ZINC000219247721 206381505 /nfs/dbraw/zinc/38/15/05/206381505.db2.gz YZUWRTNTUKXAIV-OAQYLSRUSA-N 1 0 350.466 3.604 50 0 FHAARO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000057985620 206389708 /nfs/dbraw/zinc/38/97/08/206389708.db2.gz XRHSHSQCDGGXKQ-UHFFFAOYSA-N 1 0 357.473 3.879 50 0 FHAARO COc1ccc([C@@H](C[NH2+]Cc2cc(OC)cc(OC)c2)N2CCCC2)cc1 ZINC000022787451 206391596 /nfs/dbraw/zinc/39/15/96/206391596.db2.gz YURUEYMHJLMTJB-JOCHJYFZSA-N 1 0 370.493 3.639 50 0 FHAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H](c1cccs1)N(C)C ZINC000022787363 206392841 /nfs/dbraw/zinc/39/28/41/206392841.db2.gz VNKPJRHUGCXQSH-LJQANCHMSA-N 1 0 354.523 3.943 50 0 FHAARO Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC[C@@H](C[NH+](C)C)O3)cn2)cc1C ZINC000225408723 206479088 /nfs/dbraw/zinc/47/90/88/206479088.db2.gz YUGMMGBBEBJGGJ-OALUTQOASA-N 1 0 369.465 3.538 50 0 FHAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000060343651 221129554 /nfs/dbraw/zinc/12/95/54/221129554.db2.gz WIYHIGVTWYZILZ-OAHLLOKOSA-N 1 0 363.383 3.548 50 0 FHAARO COCCn1ccnc1[C@@H]1CCCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000091663468 132203005 /nfs/dbraw/zinc/20/30/05/132203005.db2.gz YUKVYLAGRXCVSD-QGZVFWFLSA-N 1 0 350.466 3.770 50 0 FHAARO Cc1cc2c(ncnc2N2CCC([N@H+](C)CCC[C@H]3CCCO3)CC2)s1 ZINC000095517456 132213633 /nfs/dbraw/zinc/21/36/33/132213633.db2.gz RUZBDHLGCVCATF-KRWDZBQOSA-N 1 0 374.554 3.860 50 0 FHAARO CC[C@H]([NH2+]C1CCN(c2nc(C)nc3sccc32)CC1)c1nc(C)c[nH]1 ZINC000096136575 132219967 /nfs/dbraw/zinc/21/99/67/132219967.db2.gz YCORJKKFVZNWNU-INIZCTEOSA-N 1 0 370.526 3.741 50 0 FHAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(N3CCOCC3)cc2c1=O ZINC000008717451 132259860 /nfs/dbraw/zinc/25/98/60/132259860.db2.gz KSQNIYSVJOVLND-QGZVFWFLSA-N 1 0 369.509 3.850 50 0 FHAARO Cc1cccc(N2CC[NH+](CC[C@H](C)NC(=O)Nc3ccccc3)CC2)c1 ZINC000031098659 136117353 /nfs/dbraw/zinc/11/73/53/136117353.db2.gz TWLDYNMTFACNIV-IBGZPJMESA-N 1 0 366.509 3.717 50 0 FHAARO c1sc(C[NH2+]Cc2cccnc2N2CCOCC2)cc1-c1ccccc1 ZINC000048375442 136123561 /nfs/dbraw/zinc/12/35/61/136123561.db2.gz APZLSEFWMVZTHP-UHFFFAOYSA-N 1 0 365.502 3.937 50 0 FHAARO Cc1ccc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1F ZINC000048363943 136123612 /nfs/dbraw/zinc/12/36/12/136123612.db2.gz IONNRXRXAXQQIM-UHFFFAOYSA-N 1 0 355.457 3.917 50 0 FHAARO CCOc1ccccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000058006189 136130279 /nfs/dbraw/zinc/13/02/79/136130279.db2.gz MLJSLJRWHUOOMF-UHFFFAOYSA-N 1 0 367.493 3.868 50 0 FHAARO Clc1ccc(OCC[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000058164018 136130646 /nfs/dbraw/zinc/13/06/46/136130646.db2.gz NYPQKNLHCFKMRM-UHFFFAOYSA-N 1 0 374.897 3.546 50 0 FHAARO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)n(C)c1 ZINC000216538849 518274855 /nfs/dbraw/zinc/27/48/55/518274855.db2.gz LVRYBWZLSCLRCP-QGZVFWFLSA-N 1 0 364.449 3.657 50 0 FHAARO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000078759301 518938266 /nfs/dbraw/zinc/93/82/66/518938266.db2.gz OBEFXVXPDYVPJD-MRXNPFEDSA-N 1 0 368.543 3.712 50 0 FHAARO CC(C)=CCN1CC2(CC1=O)CC[NH+](CCCC(=O)c1ccccc1)CC2 ZINC000091586601 519425557 /nfs/dbraw/zinc/42/55/57/519425557.db2.gz JRCSWVDBCVFCCU-UHFFFAOYSA-N 1 0 368.521 3.930 50 0 FHAARO CCC[N@@H+]1CCCn2nc(CNc3nccc(C4CCCC4)n3)cc2C1 ZINC000082109223 519855459 /nfs/dbraw/zinc/85/54/59/519855459.db2.gz FGAFROBGCZZIOO-UHFFFAOYSA-N 1 0 354.502 3.559 50 0 FHAARO CCCOc1ccc(Br)cc1CNC[C@@H]1CCC[N@@H+]1CC ZINC000020967873 520324791 /nfs/dbraw/zinc/32/47/91/520324791.db2.gz KPHWFTHZBIGPLC-INIZCTEOSA-N 1 0 355.320 3.812 50 0 FHAARO CCCOc1ccc(C[NH2+]C[C@H]2CCCN2CC)cc1Br ZINC000020967488 520370292 /nfs/dbraw/zinc/37/02/92/520370292.db2.gz LHXIJUQVFFASJN-OAHLLOKOSA-N 1 0 355.320 3.812 50 0 FHAARO CCOc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000252444245 521178300 /nfs/dbraw/zinc/17/83/00/521178300.db2.gz YAYSSCCEOUOSQC-JXXFODFXSA-N 1 0 359.466 3.673 50 0 FHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C1=CCCC1 ZINC000012585670 521219709 /nfs/dbraw/zinc/21/97/09/521219709.db2.gz YYLNXJMTAMAATL-HXUWFJFHSA-N 1 0 370.537 3.909 50 0 FHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C1=CCCC1 ZINC000012585679 521264483 /nfs/dbraw/zinc/26/44/83/521264483.db2.gz YYLNXJMTAMAATL-FQEVSTJZSA-N 1 0 370.537 3.909 50 0 FHAARO CCCc1nc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)cs1 ZINC000091304801 521477912 /nfs/dbraw/zinc/47/79/12/521477912.db2.gz HSFOCDHIHZNRGV-MRXNPFEDSA-N 1 0 357.523 3.623 50 0 FHAARO CC[NH+]1CCN(CCOCCOc2ccc3ccccc3c2Cl)CC1 ZINC000020389869 521683841 /nfs/dbraw/zinc/68/38/41/521683841.db2.gz CHWIQHLBKVZTDH-UHFFFAOYSA-N 1 0 362.901 3.526 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)C1=C(c2ccccc2)SCCO1)c1cccs1 ZINC000020739377 522069467 /nfs/dbraw/zinc/06/94/67/522069467.db2.gz IIQVWWNFCAHIRC-OAHLLOKOSA-N 1 0 374.531 3.599 50 0 FHAARO COc1cc(F)c(C[NH+]2CCC(c3nccn3CC3CC3)CC2)cc1OC ZINC000091493558 522566886 /nfs/dbraw/zinc/56/68/86/522566886.db2.gz LSEVYKZZGGBHKY-UHFFFAOYSA-N 1 0 373.472 3.829 50 0 FHAARO CCc1cc(CN2CC[NH+](CC)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880643 523787544 /nfs/dbraw/zinc/78/75/44/523787544.db2.gz IPFNSCBUFFVKGY-UHFFFAOYSA-N 1 0 357.523 3.700 50 0 FHAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-c3ccc(F)cc3)c2)C1 ZINC000299785323 523825694 /nfs/dbraw/zinc/82/56/94/523825694.db2.gz XNGDXSCJVOTIMZ-KRWDZBQOSA-N 1 0 370.468 3.581 50 0 FHAARO CCc1ccc(NC(=O)NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)cc1 ZINC000082087826 523984817 /nfs/dbraw/zinc/98/48/17/523984817.db2.gz RBXCRQWGBCPSMB-UHFFFAOYSA-N 1 0 369.513 3.629 50 0 FHAARO C[N@@H+]1CC[C@H](Nc2nc(-c3ccccn3)nc3c2CCC3)[C@H]1c1ccccc1 ZINC000252476744 523990730 /nfs/dbraw/zinc/99/07/30/523990730.db2.gz ARNPQFIPIHRIGQ-PZJWPPBQSA-N 1 0 371.488 3.885 50 0 FHAARO COc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cc1Cl ZINC000091269762 524042999 /nfs/dbraw/zinc/04/29/99/524042999.db2.gz DMOJQNAFJFLVCH-RBUKOAKNSA-N 1 0 371.912 3.840 50 0 FHAARO C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21)c1ccc2c(c1)OCO2 ZINC000241587925 525097538 /nfs/dbraw/zinc/09/75/38/525097538.db2.gz OYELSPUMAYANNP-BEFAXECRSA-N 1 0 366.461 3.602 50 0 FHAARO C[C@@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000089904801 525551163 /nfs/dbraw/zinc/55/11/63/525551163.db2.gz ULYWQBGCLZCOHM-KDOFPFPSSA-N 1 0 371.506 3.972 50 0 FHAARO Cc1ccc(SCCOCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020482087 525660464 /nfs/dbraw/zinc/66/04/64/525660464.db2.gz ACBJRUYJLUEKEE-UHFFFAOYSA-N 1 0 370.562 3.922 50 0 FHAARO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000020453027 525830177 /nfs/dbraw/zinc/83/01/77/525830177.db2.gz VDVAXELYGXBKGU-QGZVFWFLSA-N 1 0 359.491 3.523 50 0 FHAARO O=C(NCc1ccccn1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019812772 526763811 /nfs/dbraw/zinc/76/38/11/526763811.db2.gz CJUXGGDESGFGLO-UHFFFAOYSA-N 1 0 357.457 3.570 50 0 FHAARO O=C(COc1cc(Cl)cc(Cl)c1)N[C@H]1CC[C@H]([NH+]2CCCCC2)C1 ZINC000390832627 526943528 /nfs/dbraw/zinc/94/35/28/526943528.db2.gz IMVBGJCHHDABAT-HOTGVXAUSA-N 1 0 371.308 3.895 50 0 FHAARO O=C(COc1ccccc1C[NH2+]CCc1ccccc1)NC1CCCCC1 ZINC000020512923 526988366 /nfs/dbraw/zinc/98/83/66/526988366.db2.gz NJYRDCKJAFZCKG-UHFFFAOYSA-N 1 0 366.505 3.847 50 0 FHAARO Cc1nc2c(nc(C)nc2NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)o1 ZINC000091474000 527102760 /nfs/dbraw/zinc/10/27/60/527102760.db2.gz MTERXQFZHLXFBD-QGZVFWFLSA-N 1 0 351.454 3.526 50 0 FHAARO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000216372945 527466372 /nfs/dbraw/zinc/46/63/72/527466372.db2.gz JNIDJVFDVDRXFZ-HXUWFJFHSA-N 1 0 369.440 3.765 50 0 FHAARO CC1(CCC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000055245319 535116122 /nfs/dbraw/zinc/11/61/22/535116122.db2.gz ZSQRVWASEJFTEP-HXUWFJFHSA-N 1 0 373.516 3.519 50 0 FHAARO Cc1cc(CN(C)Cc2cnccn2)c(C)c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000216231593 568113697 /nfs/dbraw/zinc/11/36/97/568113697.db2.gz FERXMYZZXGZOME-KRWDZBQOSA-N 1 0 352.526 3.957 50 0 FHAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000000819233 568297017 /nfs/dbraw/zinc/29/70/17/568297017.db2.gz REVNXUJMVLTRSQ-UHFFFAOYSA-N 1 0 366.505 3.956 50 0 FHAARO COCCN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc(F)cc1 ZINC000220527635 568346196 /nfs/dbraw/zinc/34/61/96/568346196.db2.gz BKGSLQYDMXIXMT-UHFFFAOYSA-N 1 0 357.404 3.799 50 0 FHAARO O=C(NCc1cccs1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000033071488 568456726 /nfs/dbraw/zinc/45/67/26/568456726.db2.gz IYQOUHDNWYUOQA-GFCCVEGCSA-N 1 0 374.897 3.811 50 0 FHAARO O=C(C[NH+]1CCCCCC1)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000223598200 568675735 /nfs/dbraw/zinc/67/57/35/568675735.db2.gz ZVAOVAFFLXTCHG-FQEVSTJZSA-N 1 0 357.885 3.817 50 0 FHAARO CC(C)(C)n1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1 ZINC000091819761 570440132 /nfs/dbraw/zinc/44/01/32/570440132.db2.gz RSYHWXXWKVWIDX-TZIWHRDSSA-N 1 0 365.521 3.980 50 0 FHAARO c1c(-c2ccccc2)[n+](-c2ccc3c(c2)OCCCO3)c2n1CCS2 ZINC000000639526 570442268 /nfs/dbraw/zinc/44/22/68/570442268.db2.gz ANYPOZBMZYUKAG-UHFFFAOYSA-N 1 0 351.451 3.699 50 0 FHAARO CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1cccc(Cl)c1 ZINC000000644777 570443498 /nfs/dbraw/zinc/44/34/98/570443498.db2.gz MWUMFOOHFIHXEB-INIZCTEOSA-N 1 0 359.877 3.512 50 0 FHAARO Fc1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)ccc1Cl ZINC000092002187 570444902 /nfs/dbraw/zinc/44/49/02/570444902.db2.gz JHOOHSKCVHEHTI-FUHWJXTLSA-N 1 0 359.876 3.971 50 0 FHAARO CCCc1nc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cs1 ZINC000092078355 570446984 /nfs/dbraw/zinc/44/69/84/570446984.db2.gz BLTJACHRZSVUHO-QZTJIDSGSA-N 1 0 369.534 3.832 50 0 FHAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCc2c3ccccc3[nH]c2C1 ZINC000095354451 570452654 /nfs/dbraw/zinc/45/26/54/570452654.db2.gz FBLTWBNDXUWVSH-UHFFFAOYSA-N 1 0 363.461 3.558 50 0 FHAARO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC000095355902 570452934 /nfs/dbraw/zinc/45/29/34/570452934.db2.gz LSSBYPMITHOWEP-GOSISDBHSA-N 1 0 354.881 3.978 50 0 FHAARO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2nnc(-c4ccccc4)o2)C3)cc1 ZINC000095359899 570453861 /nfs/dbraw/zinc/45/38/61/570453861.db2.gz VVKCGNAMIYROOF-PZJWPPBQSA-N 1 0 374.488 3.833 50 0 FHAARO CCSc1ncc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cn1 ZINC000095363674 570454297 /nfs/dbraw/zinc/45/42/97/570454297.db2.gz LMTLBIQXIGNCNX-AZUAARDMSA-N 1 0 368.550 3.685 50 0 FHAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCc2cc(-c3ccc(Cl)cc3)on2)C1 ZINC000095362903 570454559 /nfs/dbraw/zinc/45/45/59/570454559.db2.gz GXWULXTYCNAGTJ-AWEZNQCLSA-N 1 0 361.873 3.733 50 0 FHAARO Cc1ccc(CN(Cc2ccccn2)C(=O)[C@H]2CCCCC[N@H+]2C)s1 ZINC000095365420 570454898 /nfs/dbraw/zinc/45/48/98/570454898.db2.gz CUCLPGVKWXHQID-LJQANCHMSA-N 1 0 357.523 3.855 50 0 FHAARO COc1cccc2c1OC[C@@H](C[NH2+]C1CCN(Cc3ccccc3)CC1)C2 ZINC000095366690 570455693 /nfs/dbraw/zinc/45/56/93/570455693.db2.gz BJUAVEDENSMDEU-LJQANCHMSA-N 1 0 366.505 3.501 50 0 FHAARO Cc1ccccc1[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCC1)N(C)C ZINC000095369712 570456143 /nfs/dbraw/zinc/45/61/43/570456143.db2.gz LFQPHCATNADCMQ-HXUWFJFHSA-N 1 0 357.542 3.513 50 0 FHAARO CCOc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000000795522 570456690 /nfs/dbraw/zinc/45/66/90/570456690.db2.gz DMIPUQUSJHSCEN-UHFFFAOYSA-N 1 0 366.505 3.922 50 0 FHAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1-c1ncc[nH]1)C2 ZINC000095375445 570457401 /nfs/dbraw/zinc/45/74/01/570457401.db2.gz VXRIWFUFLWSSQO-QZTJIDSGSA-N 1 0 364.493 3.579 50 0 FHAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N(CCc1ccc(F)cc1)Cc1cccnc1 ZINC000095383070 570459406 /nfs/dbraw/zinc/45/94/06/570459406.db2.gz YRKCAZHRCMEQMY-OAQYLSRUSA-N 1 0 369.484 3.666 50 0 FHAARO O=C(NC[C@@H]1CCOc2ccccc2C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000095383360 570459491 /nfs/dbraw/zinc/45/94/91/570459491.db2.gz WVYVYYTTXUZDRK-LJQANCHMSA-N 1 0 364.489 3.654 50 0 FHAARO Cc1cc([C@H]2CCCN2C(=O)C[NH+]2CCC(c3ccccc3)CC2)no1 ZINC000095392380 570461335 /nfs/dbraw/zinc/46/13/35/570461335.db2.gz HGAMMIHKOBMOGK-HXUWFJFHSA-N 1 0 353.466 3.526 50 0 FHAARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)COc1ccccc1)CC2 ZINC000095498562 570462278 /nfs/dbraw/zinc/46/22/78/570462278.db2.gz FNWFTGWERFPJCK-HXUWFJFHSA-N 1 0 364.489 3.546 50 0 FHAARO CC(C)c1cc(C(=O)N2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)on1 ZINC000095499384 570462800 /nfs/dbraw/zinc/46/28/00/570462800.db2.gz BRLUTZRSDAIQRN-GOSISDBHSA-N 1 0 367.493 3.892 50 0 FHAARO O=C(NCc1ccc2nonc2c1)Nc1ccccc1C[NH+]1CCCCC1 ZINC000095505394 570463899 /nfs/dbraw/zinc/46/38/99/570463899.db2.gz OUXRQKFEDIHBHL-UHFFFAOYSA-N 1 0 365.437 3.530 50 0 FHAARO Cc1ccc([C@@H]2CN(C(=O)Cc3c(F)cccc3Cl)C[C@H]2[NH+](C)C)cc1 ZINC000095521208 570467586 /nfs/dbraw/zinc/46/75/86/570467586.db2.gz AGFAWEFNALNERE-FXAWDEMLSA-N 1 0 374.887 3.886 50 0 FHAARO CCc1nc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cs1 ZINC000095526108 570468926 /nfs/dbraw/zinc/46/89/26/570468926.db2.gz LJTOOIJYMRMBIA-OXQOHEQNSA-N 1 0 367.562 3.769 50 0 FHAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095527373 570469036 /nfs/dbraw/zinc/46/90/36/570469036.db2.gz ZNUCZLFMGACBKG-KRWDZBQOSA-N 1 0 374.916 3.508 50 0 FHAARO COc1ccc([C@@H]2CN(c3nc(C)nc4sccc43)C[C@H]2[NH+](C)C)cc1 ZINC000095527999 570469333 /nfs/dbraw/zinc/46/93/33/570469333.db2.gz KOQJSHLDJCZDPW-ZWKOTPCHSA-N 1 0 368.506 3.542 50 0 FHAARO CCc1nc(C)c(C(=O)N2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)o1 ZINC000095531787 570470029 /nfs/dbraw/zinc/47/00/29/570470029.db2.gz HOLKCPMDAXVAAK-GOSISDBHSA-N 1 0 367.493 3.640 50 0 FHAARO CC(=O)c1cccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C)C2)c1 ZINC000096136504 570476254 /nfs/dbraw/zinc/47/62/54/570476254.db2.gz KSAQHPZUZBINDF-SFHVURJKSA-N 1 0 365.477 3.841 50 0 FHAARO Cc1ccccc1[C@H]1CC[N@H+](CCNc2nccc(-c3ccncc3)n2)C1 ZINC000096132813 570476282 /nfs/dbraw/zinc/47/62/82/570476282.db2.gz OOBHDYMJXWJCNK-IBGZPJMESA-N 1 0 359.477 3.748 50 0 FHAARO Cc1nc(CC(=O)NC[C@@H](c2ccccc2C)[NH+]2CCC(C)CC2)cs1 ZINC000096152160 570477576 /nfs/dbraw/zinc/47/75/76/570477576.db2.gz KINYXHGASTYGRA-FQEVSTJZSA-N 1 0 371.550 3.892 50 0 FHAARO Cc1nc(CC(=O)NC[C@H](c2ccccc2C)[NH+]2CCC(C)CC2)cs1 ZINC000096152159 570477623 /nfs/dbraw/zinc/47/76/23/570477623.db2.gz KINYXHGASTYGRA-HXUWFJFHSA-N 1 0 371.550 3.892 50 0 FHAARO Cc1cc(-c2ccccc2C[NH+]2CCOCC2)c2nc(N)sc2c1C ZINC000096164515 570478218 /nfs/dbraw/zinc/47/82/18/570478218.db2.gz BRXSIJVCSVUISA-UHFFFAOYSA-N 1 0 353.491 3.995 50 0 FHAARO COCC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(-c3ccc(C)o3)cc2)C1 ZINC000097137081 570484584 /nfs/dbraw/zinc/48/45/84/570484584.db2.gz FGNVHTYZMLCCDK-SFHVURJKSA-N 1 0 370.493 3.685 50 0 FHAARO OC1(Cn2ccnc2)CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000097347336 570486884 /nfs/dbraw/zinc/48/68/84/570486884.db2.gz HJWPHXYUFZIKLR-UHFFFAOYSA-N 1 0 363.461 3.703 50 0 FHAARO c1csc(C[NH+]2CCC(Nc3nccc(-c4cccnc4)n3)CC2)c1 ZINC000097360126 570486958 /nfs/dbraw/zinc/48/69/58/570486958.db2.gz IKQBUAUEEUVTFP-UHFFFAOYSA-N 1 0 351.479 3.677 50 0 FHAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N(Cc1scnc1C)Cc1ccccc1 ZINC000097514456 570489398 /nfs/dbraw/zinc/48/93/98/570489398.db2.gz XQDOBRJQWDTKGU-GOSISDBHSA-N 1 0 357.523 3.855 50 0 FHAARO CCn1cc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)cn1 ZINC000097515084 570489499 /nfs/dbraw/zinc/48/94/99/570489499.db2.gz OHOVVMILSKLQRV-KRWDZBQOSA-N 1 0 361.877 3.515 50 0 FHAARO Cc1c2cc(C)ccc2oc1C(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000097528100 570489832 /nfs/dbraw/zinc/48/98/32/570489832.db2.gz LNIGKPHIRJIJDY-UHFFFAOYSA-N 1 0 358.507 3.703 50 0 FHAARO Cc1ccc2cc(C(=O)NCC[N@@H+]3CC[C@@H](c4ccccc4)C3)n(C)c2c1 ZINC000097570788 570490660 /nfs/dbraw/zinc/49/06/60/570490660.db2.gz MJDWIEZECNKMKN-HXUWFJFHSA-N 1 0 361.489 3.706 50 0 FHAARO [NH3+][C@H]1CCCN(C(=O)Nc2cccc(OCCCc3ccccc3)c2)C1 ZINC000097654039 570492175 /nfs/dbraw/zinc/49/21/75/570492175.db2.gz RXQSJNPCTHRUOL-SFHVURJKSA-N 1 0 353.466 3.653 50 0 FHAARO O[C@H](c1ccccn1)C1CC[NH+](CC2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000097698934 570492608 /nfs/dbraw/zinc/49/26/08/570492608.db2.gz SANOLJNPEMFDTN-NRFANRHFSA-N 1 0 370.880 3.956 50 0 FHAARO Cc1cc(CNc2ccn(CC[NH+](C)C)n2)ccc1Oc1cccnc1 ZINC000119830615 570522948 /nfs/dbraw/zinc/52/29/48/570522948.db2.gz QFTNLZPRAOIUFC-UHFFFAOYSA-N 1 0 351.454 3.553 50 0 FHAARO CCCCOc1cccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000004747589 570605085 /nfs/dbraw/zinc/60/50/85/570605085.db2.gz ZULWYWSHIRXKCR-UHFFFAOYSA-N 1 0 367.493 3.870 50 0 FHAARO C[C@H](c1ccc(-c2cc3sc(N)nc3c(F)c2)cc1)[NH+]1CCOCC1 ZINC000426489762 570607738 /nfs/dbraw/zinc/60/77/38/570607738.db2.gz QPFMBHBLSWQOND-GFCCVEGCSA-N 1 0 357.454 3.908 50 0 FHAARO Cc1ccc(-c2cccc(C(=O)NC[C@H](c3ccccc3C)[NH+](C)C)c2)nn1 ZINC000426552087 570615698 /nfs/dbraw/zinc/61/56/98/570615698.db2.gz YCEHVOVGKFMNEM-JOCHJYFZSA-N 1 0 374.488 3.793 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O ZINC000011783169 570706679 /nfs/dbraw/zinc/70/66/79/570706679.db2.gz UGDWZTDZFLLEBM-MRXNPFEDSA-N 1 0 365.452 3.958 50 0 FHAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000011782578 570706752 /nfs/dbraw/zinc/70/67/52/570706752.db2.gz MNPZAJMLOJUSDV-HXUWFJFHSA-N 1 0 370.468 3.548 50 0 FHAARO CN(C(=O)CCc1ccsc1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011813523 570707210 /nfs/dbraw/zinc/70/72/10/570707210.db2.gz KLVOFXAVORFTCS-HXUWFJFHSA-N 1 0 368.546 3.771 50 0 FHAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1)NC1CC1 ZINC000011815337 570707712 /nfs/dbraw/zinc/70/77/12/570707712.db2.gz BJVZUCFMLHKQEX-AWEZNQCLSA-N 1 0 370.415 3.856 50 0 FHAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1OC ZINC000011840945 570709382 /nfs/dbraw/zinc/70/93/82/570709382.db2.gz AILAKWMVBNVBMQ-KRWDZBQOSA-N 1 0 357.425 3.938 50 0 FHAARO CN(C)c1ncc(C[N@@H+]2CCC[C@@](CO)(CCCc3ccccc3)C2)s1 ZINC000011843560 570709843 /nfs/dbraw/zinc/70/98/43/570709843.db2.gz RPRFXHSJIQBNTP-NRFANRHFSA-N 1 0 373.566 3.807 50 0 FHAARO O=C(CCC(=O)c1ccccc1)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000011879079 570710769 /nfs/dbraw/zinc/71/07/69/570710769.db2.gz SVQAKUBBLTVRKM-LJQANCHMSA-N 1 0 356.510 3.953 50 0 FHAARO Cc1ccc([C@@H](C)CC[N@H+]2CCC(=O)N(Cc3ccccc3F)CC2)o1 ZINC000011880274 570711213 /nfs/dbraw/zinc/71/12/13/570711213.db2.gz WNTHAKOXSDNEBE-INIZCTEOSA-N 1 0 358.457 3.955 50 0 FHAARO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@H+](Cc2cccnc2)C1 ZINC000011933366 570711671 /nfs/dbraw/zinc/71/16/71/570711671.db2.gz WOROSMYCTPAWTE-OAQYLSRUSA-N 1 0 356.441 3.609 50 0 FHAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](CCCn3cccn3)C2)c1 ZINC000011944243 570712370 /nfs/dbraw/zinc/71/23/70/570712370.db2.gz VUQIAXSGNXMZGI-IBGZPJMESA-N 1 0 355.482 3.655 50 0 FHAARO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)s1 ZINC000012002445 570714003 /nfs/dbraw/zinc/71/40/03/570714003.db2.gz HXUMZCVBRPVGPO-LJQANCHMSA-N 1 0 366.490 3.845 50 0 FHAARO COC(=O)c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)n2)cc1 ZINC000012028886 570714485 /nfs/dbraw/zinc/71/44/85/570714485.db2.gz BTLHCPAYUDWUFO-YOEHRIQHSA-N 1 0 355.438 3.535 50 0 FHAARO CC(=O)Nc1ccnn1C1CC[NH+](Cc2cccc(-c3ccco3)c2)CC1 ZINC000012057535 570716108 /nfs/dbraw/zinc/71/61/08/570716108.db2.gz RKKNBLRTNRLHPK-UHFFFAOYSA-N 1 0 364.449 3.939 50 0 FHAARO OC[C@@]1(CCCc2ccccc2)CCC[N@@H+](C2CSCCSC2)C1 ZINC000012074333 570716507 /nfs/dbraw/zinc/71/65/07/570716507.db2.gz SLGYYLWGTRECML-FQEVSTJZSA-N 1 0 365.608 3.932 50 0 FHAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cc(C(C)C)n[nH]2)C1 ZINC000012209977 570727955 /nfs/dbraw/zinc/72/79/55/570727955.db2.gz ONADALHHEAMSCL-JOCHJYFZSA-N 1 0 369.509 3.921 50 0 FHAARO O=C(CCn1cnc2ccccc21)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012306293 570734834 /nfs/dbraw/zinc/73/48/34/570734834.db2.gz QZQWOXWKGUUPPE-SFHVURJKSA-N 1 0 368.525 3.730 50 0 FHAARO O=C(NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)C1=CCCC1 ZINC000012332393 570737856 /nfs/dbraw/zinc/73/78/56/570737856.db2.gz SQASFGZLRHHZRC-JOCHJYFZSA-N 1 0 362.473 3.849 50 0 FHAARO C[C@H](COc1ccccc1)[NH+]1CCC(CO)(CCOc2ccccc2)CC1 ZINC000012386702 570741338 /nfs/dbraw/zinc/74/13/38/570741338.db2.gz SAMWJZHQRHXAQD-HXUWFJFHSA-N 1 0 369.505 3.998 50 0 FHAARO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@H+](CC(C)(C)C)C3)C2=O)c1 ZINC000012439964 570745681 /nfs/dbraw/zinc/74/56/81/570745681.db2.gz WPEVKYIIQCPANC-NRFANRHFSA-N 1 0 362.489 3.695 50 0 FHAARO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012438988 570745705 /nfs/dbraw/zinc/74/57/05/570745705.db2.gz RJEHJYDJXRFDHP-GOSISDBHSA-N 1 0 373.880 3.806 50 0 FHAARO CCn1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)cn1 ZINC000012589701 570752412 /nfs/dbraw/zinc/75/24/12/570752412.db2.gz RNFIZHLHRBFCCM-FQEVSTJZSA-N 1 0 354.542 3.598 50 0 FHAARO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1OC ZINC000012595702 570752924 /nfs/dbraw/zinc/75/29/24/570752924.db2.gz COEOPXZAMLBOPA-KRWDZBQOSA-N 1 0 360.498 3.621 50 0 FHAARO CN(C(=O)CCC(F)(F)F)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012707242 570757197 /nfs/dbraw/zinc/75/71/97/570757197.db2.gz DCNPCQKWWMKOJC-KRWDZBQOSA-N 1 0 356.432 3.885 50 0 FHAARO CCC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000032675920 570767298 /nfs/dbraw/zinc/76/72/98/570767298.db2.gz OMANHZMSJFZUEK-NRFANRHFSA-N 1 0 351.494 3.961 50 0 FHAARO Cc1cc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c2ccccc2n1 ZINC000032675968 570767415 /nfs/dbraw/zinc/76/74/15/570767415.db2.gz XTJLMFUXVKZJTB-UHFFFAOYSA-N 1 0 360.461 3.547 50 0 FHAARO COc1ccccc1[C@H](CNC(=O)Nc1cccc(C)c1)[NH+]1CCCC1 ZINC000012921416 570767426 /nfs/dbraw/zinc/76/74/26/570767426.db2.gz NRLKWEBFZBEWAB-IBGZPJMESA-N 1 0 353.466 3.962 50 0 FHAARO O=C(Cc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012974170 570769211 /nfs/dbraw/zinc/76/92/11/570769211.db2.gz MGMPPTJEQNIAMX-UHFFFAOYSA-N 1 0 360.860 3.802 50 0 FHAARO C[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012974359 570769222 /nfs/dbraw/zinc/76/92/22/570769222.db2.gz IOPYAYMWOYNSSO-QGZVFWFLSA-N 1 0 374.488 3.537 50 0 FHAARO COc1ccccc1[C@H](CNC(=O)Nc1ccc(F)cc1)[NH+]1CCCC1 ZINC000012977083 570769628 /nfs/dbraw/zinc/76/96/28/570769628.db2.gz PGTZILPOJXBYFY-SFHVURJKSA-N 1 0 357.429 3.793 50 0 FHAARO COc1ccccc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000012977087 570769757 /nfs/dbraw/zinc/76/97/57/570769757.db2.gz KJZHKAMNLQZJJP-SFHVURJKSA-N 1 0 369.465 3.662 50 0 FHAARO CCc1ccc([C@H](C[NH2+]Cc2ccc(OC)c(OC)c2OC)N(C)C)cc1 ZINC000032735871 570790662 /nfs/dbraw/zinc/79/06/62/570790662.db2.gz GSQYEPVXLBLTDT-IBGZPJMESA-N 1 0 372.509 3.667 50 0 FHAARO CN(C)[C@@H](C[NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1Cl ZINC000032735867 570790673 /nfs/dbraw/zinc/79/06/73/570790673.db2.gz REMOQXIWHIZBOE-FQEVSTJZSA-N 1 0 354.885 3.918 50 0 FHAARO COc1ccccc1[N+]1=C2CCCCN2[C@@](O)(c2ccc(C)cc2C)C1 ZINC000013785512 570791015 /nfs/dbraw/zinc/79/10/15/570791015.db2.gz KZEQYRNCSHAAKS-QFIPXVFZSA-N 1 0 351.470 3.572 50 0 FHAARO C[N@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCc2ccccc21 ZINC000014017071 570801870 /nfs/dbraw/zinc/80/18/70/570801870.db2.gz LYMSNBNHDITCHJ-MRXNPFEDSA-N 1 0 374.387 3.956 50 0 FHAARO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000014185019 570810803 /nfs/dbraw/zinc/81/08/03/570810803.db2.gz LIRSYJYULPUVOB-HNNXBMFYSA-N 1 0 369.465 3.560 50 0 FHAARO COc1ccc(CC(=O)N(C[C@H]2CCC[N@@H+]3CCCC[C@H]23)C(C)C)cc1 ZINC000583647556 570812097 /nfs/dbraw/zinc/81/20/97/570812097.db2.gz GGRXMHLVJVQUJE-TZIWHRDSSA-N 1 0 358.526 3.739 50 0 FHAARO CCOc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000014238472 570814879 /nfs/dbraw/zinc/81/48/79/570814879.db2.gz YAYSSCCEOUOSQC-RZQQEMMASA-N 1 0 359.466 3.673 50 0 FHAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1cccs1 ZINC000014244622 570815121 /nfs/dbraw/zinc/81/51/21/570815121.db2.gz WMTMSWVVNHRGQU-AWEZNQCLSA-N 1 0 371.506 3.710 50 0 FHAARO C[C@@H](CCc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032862660 570823863 /nfs/dbraw/zinc/82/38/63/570823863.db2.gz LGHHPGNDIGWJHQ-IBGZPJMESA-N 1 0 365.521 3.972 50 0 FHAARO CCOc1ccc(OCC)c(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000032862282 570823881 /nfs/dbraw/zinc/82/38/81/570823881.db2.gz BDRLCWZSKWONPM-UHFFFAOYSA-N 1 0 363.502 3.915 50 0 FHAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@H](C)c2ccccc2)c1 ZINC000014880476 570825240 /nfs/dbraw/zinc/82/52/40/570825240.db2.gz NQKXXJGVFTULJY-RXVVDRJESA-N 1 0 366.505 3.970 50 0 FHAARO CCOC(=O)N1CCC([NH2+]Cc2cccnc2Oc2ccccc2C)CC1 ZINC000015067905 570830978 /nfs/dbraw/zinc/83/09/78/570830978.db2.gz FPWNXJZFLGCEST-UHFFFAOYSA-N 1 0 369.465 3.893 50 0 FHAARO COc1ccc(C(=O)N2CCCCCC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000015067888 570831019 /nfs/dbraw/zinc/83/10/19/570831019.db2.gz XPMSELFPSZGWAP-UHFFFAOYSA-N 1 0 374.525 3.963 50 0 FHAARO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000015073795 570832009 /nfs/dbraw/zinc/83/20/09/570832009.db2.gz BLTHWZGPRUVHFU-GOSISDBHSA-N 1 0 357.885 3.562 50 0 FHAARO COc1ccc2c(C[N@H+](C)CCOc3cccc(C)c3)cc(=O)oc2c1 ZINC000015100378 570833760 /nfs/dbraw/zinc/83/37/60/570833760.db2.gz COWRFIWJOHMBFW-UHFFFAOYSA-N 1 0 353.418 3.621 50 0 FHAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000015581974 570840676 /nfs/dbraw/zinc/84/06/76/570840676.db2.gz NQCUGKHHBPBETC-UHFFFAOYSA-N 1 0 363.461 3.609 50 0 FHAARO Cc1cccc(C)c1OCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015860031 570846072 /nfs/dbraw/zinc/84/60/72/570846072.db2.gz DSSZYNYPKLXKOS-GOSISDBHSA-N 1 0 356.466 3.619 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)no2)cc1 ZINC000015859719 570846287 /nfs/dbraw/zinc/84/62/87/570846287.db2.gz FSDYKOYRZCICMV-FQEVSTJZSA-N 1 0 363.461 3.991 50 0 FHAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)c(OC)c1 ZINC000015866944 570847182 /nfs/dbraw/zinc/84/71/82/570847182.db2.gz WUCCVITWWQHMFN-OAHLLOKOSA-N 1 0 360.454 3.908 50 0 FHAARO O=C(NCc1ccccc1)C1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000016396112 570855787 /nfs/dbraw/zinc/85/57/87/570855787.db2.gz ZTKXLWIFDGFNGR-UHFFFAOYSA-N 1 0 372.896 3.747 50 0 FHAARO CC[C@@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)NC1CC[NH+](CC)CC1 ZINC000016605250 570858605 /nfs/dbraw/zinc/85/86/05/570858605.db2.gz VSOPKJPDCIAHED-QGZVFWFLSA-N 1 0 352.906 3.715 50 0 FHAARO COc1ccc2cc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c(C)nc2c1 ZINC000016600049 570858754 /nfs/dbraw/zinc/85/87/54/570858754.db2.gz BISKBOBQODJTQG-NRFANRHFSA-N 1 0 363.461 3.585 50 0 FHAARO Cc1ccccc1C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CCCO1 ZINC000104973928 570865704 /nfs/dbraw/zinc/86/57/04/570865704.db2.gz MCKFJXVKFHXMKJ-PKTZIBPZSA-N 1 0 369.505 3.554 50 0 FHAARO COc1ccccc1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000032930085 570870707 /nfs/dbraw/zinc/87/07/07/570870707.db2.gz ZLBNOILUZUZZHV-SFHVURJKSA-N 1 0 366.505 3.786 50 0 FHAARO COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)ccc1OCCO ZINC000105422696 570872449 /nfs/dbraw/zinc/87/24/49/570872449.db2.gz RNLUSVFVCISYBZ-OAHLLOKOSA-N 1 0 371.477 3.631 50 0 FHAARO CCOc1cc(C[NH2+][C@@H]2CN3CCC2CC3)ccc1OCc1ccccc1 ZINC000019367634 570888170 /nfs/dbraw/zinc/88/81/70/570888170.db2.gz QLAOFYGBMRAXDH-OAQYLSRUSA-N 1 0 366.505 3.848 50 0 FHAARO Fc1ccc(CN2CCC([NH+]3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000019888813 570905322 /nfs/dbraw/zinc/90/53/22/570905322.db2.gz YRGIUXAIASUVRH-UHFFFAOYSA-N 1 0 367.512 3.608 50 0 FHAARO C[C@@H]1C[NH+](C2CCN(Cc3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000019939115 570907328 /nfs/dbraw/zinc/90/73/28/570907328.db2.gz VXNFHRYPUZHERA-HUUCEWRRSA-N 1 0 367.331 3.523 50 0 FHAARO CCN1CCC([NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)CC1 ZINC000020206513 570913250 /nfs/dbraw/zinc/91/32/50/570913250.db2.gz ZQFVFUDPZYBZOI-HXUWFJFHSA-N 1 0 352.526 3.960 50 0 FHAARO CCN1CCC([NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)CC1 ZINC000020206517 570913272 /nfs/dbraw/zinc/91/32/72/570913272.db2.gz ZQFVFUDPZYBZOI-FQEVSTJZSA-N 1 0 352.526 3.960 50 0 FHAARO Brc1ccc(-c2ccc(C[NH2+][C@H]3CN4CCC3CC4)o2)cc1 ZINC000020477298 570917724 /nfs/dbraw/zinc/91/77/24/570917724.db2.gz QZUGLOASHQNYJC-KRWDZBQOSA-N 1 0 361.283 3.893 50 0 FHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)NCc1ccccc1F ZINC000046071880 570923776 /nfs/dbraw/zinc/92/37/76/570923776.db2.gz NTJYWXZZJOICOT-PXNSSMCTSA-N 1 0 353.441 3.652 50 0 FHAARO OCC[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[N@@H+]1C1CCCC1 ZINC000020999068 570927620 /nfs/dbraw/zinc/92/76/20/570927620.db2.gz MPXVTRLBCRXHKM-SFHVURJKSA-N 1 0 356.432 3.517 50 0 FHAARO COC[C@H](C)[NH2+]Cc1ccc(OC)c(-c2cccc(-c3cc[nH]n3)c2)c1 ZINC000020999598 570927724 /nfs/dbraw/zinc/92/77/24/570927724.db2.gz LFNDKQPQPZEVLL-HNNXBMFYSA-N 1 0 351.450 3.877 50 0 FHAARO Fc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000020997232 570927847 /nfs/dbraw/zinc/92/78/47/570927847.db2.gz IYUQJVKDLWQAPX-HXUWFJFHSA-N 1 0 371.475 3.751 50 0 FHAARO O=C(COc1ccc(Cl)cc1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021170408 570929006 /nfs/dbraw/zinc/92/90/06/570929006.db2.gz UOVKCZGELLDUKP-SFHVURJKSA-N 1 0 364.917 3.976 50 0 FHAARO O=C(NCc1ccccc1F)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000072049932 570930525 /nfs/dbraw/zinc/93/05/25/570930525.db2.gz RQHDAULYGMSJEG-OAHLLOKOSA-N 1 0 361.486 3.599 50 0 FHAARO CC[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](OC(C)=O)c1ccnc2ccc(OC)cc21 ZINC000005529233 570934619 /nfs/dbraw/zinc/93/46/19/570934619.db2.gz ZVEDOOXEZTUEBN-AERDPVEMSA-N 1 0 368.477 3.968 50 0 FHAARO CC1CCN([C@H](C[NH2+]C[C@H](O)COc2ccccc2)c2cccs2)CC1 ZINC000022030057 570937790 /nfs/dbraw/zinc/93/77/90/570937790.db2.gz XVMDYZMIUIBHTN-AZUAARDMSA-N 1 0 374.550 3.551 50 0 FHAARO CCOc1c(Cl)cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000010812956 570938247 /nfs/dbraw/zinc/93/82/47/570938247.db2.gz NJHCOQWPRVUMAU-UHFFFAOYSA-N 1 0 368.905 3.786 50 0 FHAARO CCOc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccccc1 ZINC000022075639 570939222 /nfs/dbraw/zinc/93/92/22/570939222.db2.gz WURYQQXAPNJPJG-UHFFFAOYSA-N 1 0 362.901 3.969 50 0 FHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000022095678 570939593 /nfs/dbraw/zinc/93/95/93/570939593.db2.gz ALRDILRBXOZIIS-LJQANCHMSA-N 1 0 356.445 3.614 50 0 FHAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Cl)c1OC(F)F ZINC000022770277 570949675 /nfs/dbraw/zinc/94/96/75/570949675.db2.gz NUCLKVDTGFGKLK-UHFFFAOYSA-N 1 0 371.767 3.969 50 0 FHAARO CC(C)CC[N@@H+]1CCN(Cc2nc(-c3ccccc3)cs2)C[C@@H]1CCO ZINC000022932537 570953186 /nfs/dbraw/zinc/95/31/86/570953186.db2.gz JIUKJZYANVENLE-IBGZPJMESA-N 1 0 373.566 3.725 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)c1ccccc1Cl ZINC000023081609 570955947 /nfs/dbraw/zinc/95/59/47/570955947.db2.gz LOQIQCVRUGDZGD-SFHVURJKSA-N 1 0 360.889 3.753 50 0 FHAARO C[NH+]1CCC(n2[nH]cc3nc(-c4ccc([C@@H]5CCCO5)s4)nc2-3)CC1 ZINC000023214338 570959695 /nfs/dbraw/zinc/95/96/95/570959695.db2.gz LFAIRISHQSAKNJ-AWEZNQCLSA-N 1 0 357.483 3.606 50 0 FHAARO O=C1C2=C(CCCC2)[C@H]([NH2+][C@@H]2CCCc3ccccc32)N1C[C@H]1CCCO1 ZINC000023234436 570960037 /nfs/dbraw/zinc/96/00/37/570960037.db2.gz PTPLPMIEMQNNNC-ZPMCFJSWSA-N 1 0 366.505 3.872 50 0 FHAARO CC(=O)Nc1ccc(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000023372995 570962141 /nfs/dbraw/zinc/96/21/41/570962141.db2.gz SUFCVSDVVQSZKI-QHCPKHFHSA-N 1 0 365.521 3.784 50 0 FHAARO COC[C@H](C)[NH2+]C1CCN(c2ccc(-c3cccc(OC)c3)cc2)CC1 ZINC000023619683 570965804 /nfs/dbraw/zinc/96/58/04/570965804.db2.gz IHWVLRSAAYECFC-KRWDZBQOSA-N 1 0 354.494 3.956 50 0 FHAARO Cc1ccnn1-c1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000023798395 570968014 /nfs/dbraw/zinc/96/80/14/570968014.db2.gz LMQKJBFKVRZOPP-UHFFFAOYSA-N 1 0 354.498 3.565 50 0 FHAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000023865539 570968473 /nfs/dbraw/zinc/96/84/73/570968473.db2.gz ATNZZMDJACAXLK-KRWDZBQOSA-N 1 0 368.506 3.583 50 0 FHAARO CCOc1cc(/C=C/C(=O)Nc2ccccc2C[NH+](C)C)ccc1OC ZINC000024643344 570969271 /nfs/dbraw/zinc/96/92/71/570969271.db2.gz CQHGTUQAYFAPQV-ACCUITESSA-N 1 0 354.450 3.807 50 0 FHAARO O=C(N[C@@H]1CC[N@@H+](C2CCCCCC2)C1)c1csc(-c2ccccn2)n1 ZINC000072230569 570985207 /nfs/dbraw/zinc/98/52/07/570985207.db2.gz BKZABEAXGDSTJE-OAHLLOKOSA-N 1 0 370.522 3.732 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1sccc1-n1cccc1 ZINC000025150542 570991169 /nfs/dbraw/zinc/99/11/69/570991169.db2.gz FNLNCDPNZXRAIR-UHFFFAOYSA-N 1 0 365.502 3.933 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2)o1)c1ccsc1 ZINC000025329537 570993915 /nfs/dbraw/zinc/99/39/15/570993915.db2.gz PISAODLSXGLNRL-SFHVURJKSA-N 1 0 370.474 3.953 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccsc1 ZINC000025331092 570994305 /nfs/dbraw/zinc/99/43/05/570994305.db2.gz KXKSQHJTGYKTPX-HNNXBMFYSA-N 1 0 372.519 3.629 50 0 FHAARO C[NH+](C)C1(CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)CCCCCC1 ZINC000025443701 570995952 /nfs/dbraw/zinc/99/59/52/570995952.db2.gz UNBUAPLTLGYDSQ-UHFFFAOYSA-N 1 0 372.538 3.919 50 0 FHAARO CCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OCC ZINC000025720703 570999088 /nfs/dbraw/zinc/99/90/88/570999088.db2.gz UEPVIJALPKDXKY-HNNXBMFYSA-N 1 0 362.495 3.578 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCCC2)cc1 ZINC000027667836 571019149 /nfs/dbraw/zinc/01/91/49/571019149.db2.gz CSPISBMLWUYQLR-NRFANRHFSA-N 1 0 352.478 3.961 50 0 FHAARO Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)no1 ZINC000028142291 571026909 /nfs/dbraw/zinc/02/69/09/571026909.db2.gz XEOJILBKKCDTLG-UHFFFAOYSA-N 1 0 367.371 3.853 50 0 FHAARO CCn1cc(CC[NH+]2CCC(c3c[nH]c4ccc(OC)cc43)CC2)cn1 ZINC000225573241 571046672 /nfs/dbraw/zinc/04/66/72/571046672.db2.gz YOIOJFKVEORYPT-UHFFFAOYSA-N 1 0 352.482 3.815 50 0 FHAARO CC1CC[NH+](CCCCNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)CC1 ZINC000071185991 571058295 /nfs/dbraw/zinc/05/82/95/571058295.db2.gz PRRXSGRSSPWPMJ-UHFFFAOYSA-N 1 0 372.538 3.777 50 0 FHAARO C[C@H](C1CC1)[N@H+](CCS(=O)(=O)Oc1ccccc1)Cc1ccccc1 ZINC000039976564 571066962 /nfs/dbraw/zinc/06/69/62/571066962.db2.gz PAIPHLIGGCNXDD-QGZVFWFLSA-N 1 0 359.491 3.696 50 0 FHAARO C=C1[NH+]=C(SC)N[C@@H](c2ccc(Br)cc2)C1C(=O)OCC ZINC000005444352 571069772 /nfs/dbraw/zinc/06/97/72/571069772.db2.gz VWDIWOOTTJIBGK-ZDUSSCGKSA-N 1 0 369.284 3.650 50 0 FHAARO COc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1OC ZINC000244817063 571075012 /nfs/dbraw/zinc/07/50/12/571075012.db2.gz STTKBBNUQHXQAG-SIKLNZKXSA-N 1 0 358.526 3.933 50 0 FHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(OC(F)F)cc1 ZINC000012755313 571077720 /nfs/dbraw/zinc/07/77/20/571077720.db2.gz ONPJEYFSISBJOW-SFHVURJKSA-N 1 0 360.404 3.855 50 0 FHAARO COc1cccc([C@@H](CNC(=O)CCCc2ccccc2)[NH+]2CCCC2)c1 ZINC000040107425 571078272 /nfs/dbraw/zinc/07/82/72/571078272.db2.gz VATJZIFLHDDRNA-JOCHJYFZSA-N 1 0 366.505 3.971 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc[nH]c1=S ZINC000040112343 571079249 /nfs/dbraw/zinc/07/92/49/571079249.db2.gz WZLUIFKYAOVPAA-OAHLLOKOSA-N 1 0 355.507 3.675 50 0 FHAARO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]2CCCO2)c(C)c1 ZINC000245279524 571096336 /nfs/dbraw/zinc/09/63/36/571096336.db2.gz GWXJGRLKRGYHHP-FYYLOGMGSA-N 1 0 369.505 3.724 50 0 FHAARO C[N@H+](CCNC(=O)c1noc2c1CSc1ccccc1-2)C1CCCCC1 ZINC000015674037 571101898 /nfs/dbraw/zinc/10/18/98/571101898.db2.gz GZPSSOXPRDJYCM-UHFFFAOYSA-N 1 0 371.506 3.942 50 0 FHAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(-c2ccccn2)cc1 ZINC000426641412 571105127 /nfs/dbraw/zinc/10/51/27/571105127.db2.gz RMZOAHVVBMXYJF-JOCHJYFZSA-N 1 0 371.484 3.968 50 0 FHAARO Cc1ccc(NC(=O)CCCN2CCc3ccccc32)c(C[NH+](C)C)c1 ZINC000241719895 571110326 /nfs/dbraw/zinc/11/03/26/571110326.db2.gz QQOPAYPXUDMLOE-UHFFFAOYSA-N 1 0 351.494 3.838 50 0 FHAARO Cc1nccn1CCC[NH+]1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000243932304 571113170 /nfs/dbraw/zinc/11/31/70/571113170.db2.gz BUOLJMYVDSYYGE-UHFFFAOYSA-N 1 0 363.509 3.775 50 0 FHAARO CN(Cc1cc(-c2ccccn2)no1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000244708269 571114685 /nfs/dbraw/zinc/11/46/85/571114685.db2.gz KQKBDTACOSACJE-LJQANCHMSA-N 1 0 362.477 3.691 50 0 FHAARO COc1ccc(CNC(=O)CC[N@@H+]2CC[C@H](c3ccccc3Cl)C2)cc1 ZINC000244734758 571115726 /nfs/dbraw/zinc/11/57/26/571115726.db2.gz NLKNUQTUEHACRY-KRWDZBQOSA-N 1 0 372.896 3.844 50 0 FHAARO COCC[N@H+](C/C=C/c1ccccc1)Cc1cc2c(c(OC)c1)OCO2 ZINC000055152899 571116908 /nfs/dbraw/zinc/11/69/08/571116908.db2.gz MLGWJLZPRDJGKV-RMKNXTFCSA-N 1 0 355.434 3.586 50 0 FHAARO Cc1nc(CCCNc2cc([C@H]3C[C@H]([NH3+])C3)nc(C3CC3)n2)sc1C ZINC000244882659 571119059 /nfs/dbraw/zinc/11/90/59/571119059.db2.gz XVYRVAKLXNRIIV-SHTZXODSSA-N 1 0 357.527 3.677 50 0 FHAARO O=C(NCC[NH+]1CCCCCC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000015782946 571121526 /nfs/dbraw/zinc/12/15/26/571121526.db2.gz QBGRWSJJPOQPMI-UHFFFAOYSA-N 1 0 374.488 3.903 50 0 FHAARO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057127651 571121881 /nfs/dbraw/zinc/12/18/81/571121881.db2.gz QWPHLWUDPMMDDY-KRWDZBQOSA-N 1 0 352.478 3.785 50 0 FHAARO CCCn1nc(C[NH2+]CCc2ccc(OC)cc2)c(-c2ccccc2)n1 ZINC000247978376 571127022 /nfs/dbraw/zinc/12/70/22/571127022.db2.gz GNOJIHGBIHXNAZ-UHFFFAOYSA-N 1 0 350.466 3.696 50 0 FHAARO Cn1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc2ccc(Cl)cc21 ZINC000085878732 571127496 /nfs/dbraw/zinc/12/74/96/571127496.db2.gz QDNICQCLJISVMO-DOTOQJQBSA-N 1 0 359.901 3.826 50 0 FHAARO Cc1cccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3C)C2)c1 ZINC000248086693 571127508 /nfs/dbraw/zinc/12/75/08/571127508.db2.gz SCMLTKGLZQYQHD-KRWDZBQOSA-N 1 0 362.477 3.732 50 0 FHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccccc2)CC1 ZINC000006123973 571127709 /nfs/dbraw/zinc/12/77/09/571127709.db2.gz MESTXQIJSDHITL-UHFFFAOYSA-N 1 0 357.885 3.663 50 0 FHAARO CSc1ccc(CN(C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000012849204 571128266 /nfs/dbraw/zinc/12/82/66/571128266.db2.gz NOHTXMKKMPIMBF-UHFFFAOYSA-N 1 0 359.882 3.930 50 0 FHAARO CC[C@H](CO)[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248160195 571128287 /nfs/dbraw/zinc/12/82/87/571128287.db2.gz KPHZKUXJGWJWPF-GOSISDBHSA-N 1 0 370.884 3.507 50 0 FHAARO C[NH+](C)[C@@H](CNc1nc(C(F)(F)F)nc2ccccc21)c1ccco1 ZINC000012860174 571129647 /nfs/dbraw/zinc/12/96/47/571129647.db2.gz XVAJXKLPUOKZRH-ZDUSSCGKSA-N 1 0 350.344 3.956 50 0 FHAARO [NH3+]CC[C@H]1CCCN(C(=O)c2ccccc2OCCc2ccccc2)C1 ZINC000252497037 571133384 /nfs/dbraw/zinc/13/33/84/571133384.db2.gz PXSUVTCPJNENOK-LJQANCHMSA-N 1 0 352.478 3.509 50 0 FHAARO COCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2c(C)cc(C)cc2[nH]1 ZINC000015862275 571138489 /nfs/dbraw/zinc/13/84/89/571138489.db2.gz CDPOOWUPFKATRF-UHFFFAOYSA-N 1 0 368.452 3.933 50 0 FHAARO COCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862276 571138587 /nfs/dbraw/zinc/13/85/87/571138587.db2.gz OHKRTSAQRIWGSD-UHFFFAOYSA-N 1 0 374.843 3.969 50 0 FHAARO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000033069014 571145450 /nfs/dbraw/zinc/14/54/50/571145450.db2.gz SCJBXECACJHRDI-UHFFFAOYSA-N 1 0 357.479 3.567 50 0 FHAARO O=C(CCn1ccc2ccccc21)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000075107490 571155596 /nfs/dbraw/zinc/15/55/96/571155596.db2.gz CQKJITGFELZOGO-FGZHOGPDSA-N 1 0 373.500 3.622 50 0 FHAARO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c(C)o1 ZINC000071404134 571161019 /nfs/dbraw/zinc/16/10/19/571161019.db2.gz SSTBLVBZZHEZFM-LJQANCHMSA-N 1 0 373.472 3.803 50 0 FHAARO Cc1ncccc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071405758 571161381 /nfs/dbraw/zinc/16/13/81/571161381.db2.gz NUPRJFZPBONLAT-NRFANRHFSA-N 1 0 369.484 3.902 50 0 FHAARO COCc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)cn1 ZINC000071498054 571162686 /nfs/dbraw/zinc/16/26/86/571162686.db2.gz CVQHVQIIMPTYLX-INIZCTEOSA-N 1 0 361.436 3.746 50 0 FHAARO CC(C)[C@H]1CN(Cc2cc(-c3cccnc3)no2)CCC[N@@H+]1CC1CC1 ZINC000071662288 571163226 /nfs/dbraw/zinc/16/32/26/571163226.db2.gz XSYNZDIGWJWXMF-OAQYLSRUSA-N 1 0 354.498 3.679 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2ccccc2O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071715053 571163773 /nfs/dbraw/zinc/16/37/73/571163773.db2.gz QAMSATJCMZSWEQ-FQEVSTJZSA-N 1 0 370.468 3.904 50 0 FHAARO CCn1nc(C)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1C ZINC000071736488 571164129 /nfs/dbraw/zinc/16/41/29/571164129.db2.gz FLQFRNYIBZUHIE-YTFSRNRJSA-N 1 0 364.537 3.582 50 0 FHAARO COC(=O)CCCC[N@@H+]1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071749727 571164569 /nfs/dbraw/zinc/16/45/69/571164569.db2.gz TZCYKAYFUHHMBR-HXUWFJFHSA-N 1 0 357.450 3.565 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2ccccn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071755336 571165189 /nfs/dbraw/zinc/16/51/89/571165189.db2.gz LBLMYRIJDSMRKU-FQEVSTJZSA-N 1 0 355.457 3.593 50 0 FHAARO COCc1ncc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)cn1 ZINC000071767916 571166025 /nfs/dbraw/zinc/16/60/25/571166025.db2.gz YQRBECVXKZANDP-OAHLLOKOSA-N 1 0 361.436 3.746 50 0 FHAARO CCc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000060561331 571167356 /nfs/dbraw/zinc/16/73/56/571167356.db2.gz HAJLSVZWWIZPKO-PZJWPPBQSA-N 1 0 370.518 3.554 50 0 FHAARO COc1cccc(OC[C@@H]2CCC[N@H+](Cc3ccnc(C(C)C)n3)C2)c1 ZINC000072147929 571173576 /nfs/dbraw/zinc/17/35/76/571173576.db2.gz PVHFXCWQLFGSJL-QGZVFWFLSA-N 1 0 355.482 3.900 50 0 FHAARO CCNC(=O)CC[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072154340 571174965 /nfs/dbraw/zinc/17/49/65/571174965.db2.gz ILVDOUXBPABZTA-HNNXBMFYSA-N 1 0 356.432 3.876 50 0 FHAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@H+]1CCC[C@]2(CN(C)C(=O)O2)CC1 ZINC000072156058 571175057 /nfs/dbraw/zinc/17/50/57/571175057.db2.gz JEGXEEFLOMPUQY-LJQANCHMSA-N 1 0 361.873 3.936 50 0 FHAARO COc1ccnc(CN2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1OC ZINC000072155952 571175125 /nfs/dbraw/zinc/17/51/25/571175125.db2.gz KHEJKGWITISWQC-HXUWFJFHSA-N 1 0 369.509 3.888 50 0 FHAARO Fc1cccc(-c2nnc(CN3CCCC[C@@H]3CC[NH+]3CCCC3)o2)c1 ZINC000072156268 571175143 /nfs/dbraw/zinc/17/51/43/571175143.db2.gz WEMFKCPWJYUBRU-GOSISDBHSA-N 1 0 358.461 3.716 50 0 FHAARO O=C(NC1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000225407036 571176207 /nfs/dbraw/zinc/17/62/07/571176207.db2.gz FQKSKVINDFNZQZ-SJORKVTESA-N 1 0 354.416 3.746 50 0 FHAARO Fc1ccc(CN2CCC[N@H+](Cc3cccc(-n4cccn4)c3)CC2)cc1 ZINC000072164884 571176447 /nfs/dbraw/zinc/17/64/47/571176447.db2.gz SJBNBKGWHWARHU-UHFFFAOYSA-N 1 0 364.468 3.719 50 0 FHAARO CCc1ccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)nc1 ZINC000072167351 571177097 /nfs/dbraw/zinc/17/70/97/571177097.db2.gz KKLUWYYTSGYLKV-DNVJHFABSA-N 1 0 365.496 3.845 50 0 FHAARO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1 ZINC000013010799 571188360 /nfs/dbraw/zinc/18/83/60/571188360.db2.gz AYULHNSBEMUKRJ-UHFFFAOYSA-N 1 0 366.914 3.660 50 0 FHAARO O=C(c1ccc(-c2cccs2)nc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000075502245 571191096 /nfs/dbraw/zinc/19/10/96/571191096.db2.gz KFZIJBRDHYWLBZ-UHFFFAOYSA-N 1 0 355.507 3.901 50 0 FHAARO CNc1ccnc(N[C@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000072408977 571191327 /nfs/dbraw/zinc/19/13/27/571191327.db2.gz JOGUNXYPNGAJKF-IBGZPJMESA-N 1 0 353.514 3.793 50 0 FHAARO CC(C)(O)CCc1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cc1 ZINC000072409470 571191670 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COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)cc1 ZINC000299766562 571194877 /nfs/dbraw/zinc/19/48/77/571194877.db2.gz FHUOTPYWOMIFKY-GOSISDBHSA-N 1 0 355.482 3.774 50 0 FHAARO O=C(Nc1ccccc1OCc1ccccc1)N1CC([NH+]2CCCCC2)C1 ZINC000299767875 571195113 /nfs/dbraw/zinc/19/51/13/571195113.db2.gz WZGIXCRMGTZUIN-UHFFFAOYSA-N 1 0 365.477 3.968 50 0 FHAARO O=C(CCc1ccc(F)c(F)c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299769608 571195513 /nfs/dbraw/zinc/19/55/13/571195513.db2.gz OQAYRZORSYSHDA-GOSISDBHSA-N 1 0 358.432 3.536 50 0 FHAARO O=C1CC[C@@H]2C[N@@H+](C/C=C/c3ccco3)CC[C@@H]2N1Cc1cccc(F)c1 ZINC000299770433 571195643 /nfs/dbraw/zinc/19/56/43/571195643.db2.gz VOOZUUYPYRYKNI-DMVJHLPVSA-N 1 0 368.452 3.945 50 0 FHAARO CC(C)OCCNc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072478012 571199622 /nfs/dbraw/zinc/19/96/22/571199622.db2.gz NZYMSFGCFHHUJJ-UHFFFAOYSA-N 1 0 374.916 3.636 50 0 FHAARO CCCC[N@@H+]1CCn2nc(CNC(=O)Nc3ccccc3C(C)C)cc2C1 ZINC000299802775 571203864 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Cc1ccc([C@@H](NC(=O)N(C)CC[NH+]2CCCC2)c2cccnc2)cc1C ZINC000534636225 571206998 /nfs/dbraw/zinc/20/69/98/571206998.db2.gz WZTQHWDEMNAOEN-OAQYLSRUSA-N 1 0 366.509 3.525 50 0 FHAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3cnc(-c4ccco4)nc3)C2)c1 ZINC000077320297 571207214 /nfs/dbraw/zinc/20/72/14/571207214.db2.gz QASWTBZUMQRBKE-MRXNPFEDSA-N 1 0 365.433 3.743 50 0 FHAARO Cc1cc2cc(C(=O)N(Cc3ccncc3)C3CC[NH+](C)CC3)ccc2o1 ZINC000077320004 571207349 /nfs/dbraw/zinc/20/73/49/571207349.db2.gz KBPGUOAIDIIHAQ-UHFFFAOYSA-N 1 0 363.461 3.873 50 0 FHAARO C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1CC12CCC[NH+]1CCC2 ZINC000077323466 571207841 /nfs/dbraw/zinc/20/78/41/571207841.db2.gz UDMYNEVYYVETAW-MRXNPFEDSA-N 1 0 353.466 3.586 50 0 FHAARO Cc1ccc(CN(Cc2ccncc2)C(=O)NCC(C)(C)[NH+](C)C)s1 ZINC000534659743 571207958 /nfs/dbraw/zinc/20/79/58/571207958.db2.gz PTOIEYRIVVUGKJ-UHFFFAOYSA-N 1 0 360.527 3.504 50 0 FHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1ccccc1 ZINC000263586076 571208204 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C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccnn2C(F)F)cc1 ZINC000077470244 571212624 /nfs/dbraw/zinc/21/26/24/571212624.db2.gz QOIHQOUVRCOEJT-INIZCTEOSA-N 1 0 362.424 3.707 50 0 FHAARO Cn1c(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc2ccccc21 ZINC000077485538 571213222 /nfs/dbraw/zinc/21/32/22/571213222.db2.gz YRQRVFBWVNRMFV-QFIPXVFZSA-N 1 0 351.494 3.545 50 0 FHAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)CN1C1CC1 ZINC000077556401 571215391 /nfs/dbraw/zinc/21/53/91/571215391.db2.gz NYKIHVIRNZEORP-HXUWFJFHSA-N 1 0 370.522 3.505 50 0 FHAARO COc1cc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc(OC)c1OC ZINC000426370480 571216178 /nfs/dbraw/zinc/21/61/78/571216178.db2.gz KHCKXHWLDNVVLT-OAHLLOKOSA-N 1 0 357.450 3.773 50 0 FHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1 ZINC000097229478 571216453 /nfs/dbraw/zinc/21/64/53/571216453.db2.gz HRWRZPMAZAUVQA-LJQANCHMSA-N 1 0 355.409 3.850 50 0 FHAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000096999545 571217731 /nfs/dbraw/zinc/21/77/31/571217731.db2.gz AYIJREIOWNLUPX-UHFFFAOYSA-N 1 0 369.513 3.875 50 0 FHAARO COCCCOc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2C)c1 ZINC000097020847 571217875 /nfs/dbraw/zinc/21/78/75/571217875.db2.gz SMUGPKQCVGSLNI-UHFFFAOYSA-N 1 0 359.466 3.717 50 0 FHAARO O=C(c1ccc(-c2ccc3c(c2)CCC3=O)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000426421819 571223085 /nfs/dbraw/zinc/22/30/85/571223085.db2.gz JVONSINBQCRCQM-DEOSSOPVSA-N 1 0 374.484 3.698 50 0 FHAARO Cc1nc2cc(-c3ccc(C(=O)N4CC[NH+](C(C)C)CC4)cc3)ccc2o1 ZINC000426423072 571223390 /nfs/dbraw/zinc/22/33/90/571223390.db2.gz PQDQAUXQSWQQET-UHFFFAOYSA-N 1 0 363.461 3.969 50 0 FHAARO CO[C@]12CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)[C@H]1C[C@H](O)CC2 ZINC000426423859 571223605 /nfs/dbraw/zinc/22/36/05/571223605.db2.gz ZKBAPZMEWGRMIV-AKIFATBCSA-N 1 0 367.489 3.770 50 0 FHAARO Cc1ccc(-c2cccc(C(=O)N(C)Cc3ccccc3C[NH+](C)C)c2)nn1 ZINC000426479772 571227494 /nfs/dbraw/zinc/22/74/94/571227494.db2.gz RHTNUNHXMLIQOH-UHFFFAOYSA-N 1 0 374.488 3.786 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nccn4C)C3)c(C)o2)cc1 ZINC000082083189 571227624 /nfs/dbraw/zinc/22/76/24/571227624.db2.gz ZXXCKAYQCFJZSV-KRWDZBQOSA-N 1 0 366.465 3.772 50 0 FHAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccncc3)C2)CN1CCc1ccccc1 ZINC000082083583 571227682 /nfs/dbraw/zinc/22/76/82/571227682.db2.gz CZKPZQWUWBQMFM-QHCPKHFHSA-N 1 0 363.505 3.529 50 0 FHAARO [NH3+][C@@H]1CCCCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)C1 ZINC000082139011 571229307 /nfs/dbraw/zinc/22/93/07/571229307.db2.gz VQQLJPHFGMXVCK-SNVBAGLBSA-N 1 0 354.294 3.678 50 0 FHAARO CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ncccc2C(F)(F)F)cc1 ZINC000426501754 571228895 /nfs/dbraw/zinc/22/88/95/571228895.db2.gz JTYGCEIZFHIHBR-UHFFFAOYSA-N 1 0 365.399 3.791 50 0 FHAARO Cn1c(SCc2ccc(C(F)(F)F)cc2F)nnc1C1CC[NH2+]CC1 ZINC000426517572 571229790 /nfs/dbraw/zinc/22/97/90/571229790.db2.gz LBOCXURSPNGGGG-UHFFFAOYSA-N 1 0 374.407 3.732 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000426584098 571232374 /nfs/dbraw/zinc/23/23/74/571232374.db2.gz SKUBGWWHGMXPCW-GFCCVEGCSA-N 1 0 356.297 3.762 50 0 FHAARO Cc1ccc(-c2cccc(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)c2)nn1 ZINC000426615180 571233274 /nfs/dbraw/zinc/23/32/74/571233274.db2.gz QABCUSGYQKOISX-UHFFFAOYSA-N 1 0 364.493 3.543 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cccc(F)c3F)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426651978 571234226 /nfs/dbraw/zinc/23/42/26/571234226.db2.gz HTERHJWECQOICD-DJPFJPOOSA-N 1 0 374.431 3.951 50 0 FHAARO CN(C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccco1 ZINC000426662393 571234595 /nfs/dbraw/zinc/23/45/95/571234595.db2.gz WHNPDIAMWZHGRK-HXUWFJFHSA-N 1 0 369.509 3.688 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cnccc3Cl)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426666919 571234637 /nfs/dbraw/zinc/23/46/37/571234637.db2.gz BBQDSTAPGVWDPJ-XKGZKEIXSA-N 1 0 373.884 3.721 50 0 FHAARO O=C(c1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000426677462 571234751 /nfs/dbraw/zinc/23/47/51/571234751.db2.gz LNEWPGZNCILUDO-FQEVSTJZSA-N 1 0 366.509 3.806 50 0 FHAARO COc1ccc2[nH]cc(C3=CC[N@H+](CCC(=O)N4CCC[C@H]4C)CC3)c2c1 ZINC000072578420 571234780 /nfs/dbraw/zinc/23/47/80/571234780.db2.gz IPPSJQAFYNVTJI-MRXNPFEDSA-N 1 0 367.493 3.667 50 0 FHAARO Cc1ccc(OCC[NH3+])c(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000426746066 571236909 /nfs/dbraw/zinc/23/69/09/571236909.db2.gz ICHANNQWZKYXTR-PXNSSMCTSA-N 1 0 370.468 3.613 50 0 FHAARO O=C(Nc1cccc(F)c1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091444801 571239651 /nfs/dbraw/zinc/23/96/51/571239651.db2.gz PLKRPMYARWUYCD-YLJYHZDGSA-N 1 0 353.441 3.954 50 0 FHAARO CC[N@@H+]1CCc2c3ccccc3[nH]c2[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000036056333 571239717 /nfs/dbraw/zinc/23/97/17/571239717.db2.gz PCWVASSHYFDVBB-CTNGQTDRSA-N 1 0 362.473 3.967 50 0 FHAARO COc1ccc(F)c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000091475227 571240143 /nfs/dbraw/zinc/24/01/43/571240143.db2.gz VDSLAWQSNCFOBL-AZUAARDMSA-N 1 0 354.469 3.931 50 0 FHAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)cc1 ZINC000091547082 571240563 /nfs/dbraw/zinc/24/05/63/571240563.db2.gz PHLYUYXAUMASIB-UHFFFAOYSA-N 1 0 356.510 3.842 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ncccn3)CC2)C1 ZINC000091643938 571241514 /nfs/dbraw/zinc/24/15/14/571241514.db2.gz MBRXFODSRCSPFA-HXUWFJFHSA-N 1 0 350.510 3.568 50 0 FHAARO CC(C)[C@@H]1CN(Cc2cccc(OCc3ccccn3)c2)C[C@H]1[NH+](C)C ZINC000091737602 571243042 /nfs/dbraw/zinc/24/30/42/571243042.db2.gz WKKIOXYXKMBEIW-FCHUYYIVSA-N 1 0 353.510 3.679 50 0 FHAARO Cc1cccc(NC(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)c1 ZINC000065256068 571257845 /nfs/dbraw/zinc/25/78/45/571257845.db2.gz SIDCEPDAQCIMJA-NRFANRHFSA-N 1 0 372.472 3.793 50 0 FHAARO C[NH+]1CCN(c2ccccc2NC(=O)Cc2cccc3ccccc32)CC1 ZINC000007105695 571260884 /nfs/dbraw/zinc/26/08/84/571260884.db2.gz FKQYVQCLWPTZSQ-UHFFFAOYSA-N 1 0 359.473 3.773 50 0 FHAARO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000065359045 571262354 /nfs/dbraw/zinc/26/23/54/571262354.db2.gz YMZYVMLDJWJSIH-INIZCTEOSA-N 1 0 360.502 3.523 50 0 FHAARO O=C1[C@H]([NH2+]C2CC(c3ccccc3F)C2)CCCN1c1ccccc1F ZINC000170591137 571266040 /nfs/dbraw/zinc/26/60/40/571266040.db2.gz UVJHUAUKUVQPIY-JFIBYHEFSA-N 1 0 356.416 3.996 50 0 FHAARO CC(C)[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000170592267 571266295 /nfs/dbraw/zinc/26/62/95/571266295.db2.gz CYYSYESDHIKTRQ-HOJAQTOUSA-N 1 0 360.542 3.995 50 0 FHAARO CC[NH+]1CCN(c2cccc(NC(=O)N(C)Cc3sccc3C)c2)CC1 ZINC000170598175 571266788 /nfs/dbraw/zinc/26/67/88/571266788.db2.gz KALYVYKXPQFECO-UHFFFAOYSA-N 1 0 372.538 3.862 50 0 FHAARO O=C(CC[NH+]1CCCC1)N1N=C(c2ccsc2)C[C@H]1c1ccsc1 ZINC000170618171 571268513 /nfs/dbraw/zinc/26/85/13/571268513.db2.gz GOBKUBJZUQBXKH-KRWDZBQOSA-N 1 0 359.520 3.973 50 0 FHAARO CC(C)Oc1ccc(CCC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000252518107 571282132 /nfs/dbraw/zinc/28/21/32/571282132.db2.gz AALWIBVCVDKFBI-CTNGQTDRSA-N 1 0 358.526 3.787 50 0 FHAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000252537772 571282965 /nfs/dbraw/zinc/28/29/65/571282965.db2.gz MHMXBIYSQJQKLO-SFHVURJKSA-N 1 0 353.466 3.679 50 0 FHAARO COc1ccc(C[C@@H](C)[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000154724155 571289638 /nfs/dbraw/zinc/28/96/38/571289638.db2.gz DPEANPUTJRACCA-HZPDHXFCSA-N 1 0 373.493 3.873 50 0 FHAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052010440 571309038 /nfs/dbraw/zinc/30/90/38/571309038.db2.gz MADMEHWBSXLMQE-HNNXBMFYSA-N 1 0 363.845 3.811 50 0 FHAARO CCc1c(-c2ccccc2)[n+](=O)c(-c2cc(OC)ccc2OC)c(C)n1O ZINC000136921000 571309331 /nfs/dbraw/zinc/30/93/31/571309331.db2.gz XWZGMJAEGZBRNJ-UHFFFAOYSA-N 1 0 367.425 3.862 50 0 FHAARO O=C(NC[C@H]1CC[N@@H+](C2CCCCC2)C1)N(Cc1cccc(O)c1)C1CC1 ZINC000584887365 571314017 /nfs/dbraw/zinc/31/40/17/571314017.db2.gz ASXJBXLUQUZZED-GOSISDBHSA-N 1 0 371.525 3.721 50 0 FHAARO C[N@@H+]1CCC[C@@H]1CCn1cnc2cc(-c3ccc(F)cc3)sc2c1=O ZINC000584898069 571315802 /nfs/dbraw/zinc/31/58/02/571315802.db2.gz WYHJIRCYQULOAB-OAHLLOKOSA-N 1 0 357.454 3.748 50 0 FHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1c[nH]c(=O)c2ccccc12 ZINC000253537001 571318846 /nfs/dbraw/zinc/31/88/46/571318846.db2.gz YLVVPUQOKDFHTG-FQEVSTJZSA-N 1 0 361.445 3.507 50 0 FHAARO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000080027601 571328593 /nfs/dbraw/zinc/32/85/93/571328593.db2.gz OOGJIGNGPCFJTA-LSDHHAIUSA-N 1 0 355.482 3.569 50 0 FHAARO Cc1ccc(OCC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000095397787 571329309 /nfs/dbraw/zinc/32/93/09/571329309.db2.gz HHEQNYQLYAAHSE-GOSISDBHSA-N 1 0 352.478 3.716 50 0 FHAARO Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000095957907 571332896 /nfs/dbraw/zinc/33/28/96/571332896.db2.gz POXKYVUFGZVSSQ-CYBMUJFWSA-N 1 0 359.495 3.582 50 0 FHAARO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)CCc1ccncc1 ZINC000095982824 571333396 /nfs/dbraw/zinc/33/33/96/571333396.db2.gz JVRDHKZTBLBBCE-GFCCVEGCSA-N 1 0 352.265 3.890 50 0 FHAARO Cc1cccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)N(C)C)CC2)c1 ZINC000096281652 571335062 /nfs/dbraw/zinc/33/50/62/571335062.db2.gz WBKKTFOZKDSPNJ-UHFFFAOYSA-N 1 0 351.494 3.780 50 0 FHAARO COc1ccc(OC)c(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+](C)C)c1 ZINC000096363839 571335513 /nfs/dbraw/zinc/33/55/13/571335513.db2.gz HVTXLOLBEDPHKY-UHFFFAOYSA-N 1 0 373.478 3.869 50 0 FHAARO O=C(/C=C\c1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000096401811 571335857 /nfs/dbraw/zinc/33/58/57/571335857.db2.gz OQHKWXJYBJVOKH-TWGQIWQCSA-N 1 0 355.869 3.529 50 0 FHAARO COc1ccc2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)n(C)c2c1 ZINC000299754409 571338449 /nfs/dbraw/zinc/33/84/49/571338449.db2.gz KNAYXGKHAXKSAB-HKUYNNGSSA-N 1 0 369.509 3.523 50 0 FHAARO O=C(NCC[NH+]1CCCCCC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000030001383 571344736 /nfs/dbraw/zinc/34/47/36/571344736.db2.gz VZPBJMKFVSMDEO-UHFFFAOYSA-N 1 0 374.488 3.903 50 0 FHAARO c1csc(C[N@H+]2CCCN(Cc3nc(-c4ccsc4)no3)CC2)c1 ZINC000030973329 571350089 /nfs/dbraw/zinc/35/00/89/571350089.db2.gz XECJXTNPONTRCL-UHFFFAOYSA-N 1 0 360.508 3.568 50 0 FHAARO COc1cccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3cccs3)CC2)c1 ZINC000670445140 571350564 /nfs/dbraw/zinc/35/05/64/571350564.db2.gz IBEBTHBKBNVUDG-INIZCTEOSA-N 1 0 373.522 3.735 50 0 FHAARO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(OC)c(OC)c2OC)c1 ZINC000031538546 571352708 /nfs/dbraw/zinc/35/27/08/571352708.db2.gz YQTXALVHJAMEPF-UHFFFAOYSA-N 1 0 372.465 3.807 50 0 FHAARO CC(C)c1ncsc1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000332243935 945159780 /nfs/dbraw/zinc/15/97/80/945159780.db2.gz ADLKRVWVPHZRDM-AWEZNQCLSA-N 1 0 358.511 3.617 50 0 FHAARO CCC[C@]1(COC)CCC[N@@H+]1Cc1nc(COc2ccc(F)cc2)no1 ZINC000194929713 940204652 /nfs/dbraw/zinc/20/46/52/940204652.db2.gz YXHTXGZFTDNKIQ-LJQANCHMSA-N 1 0 363.433 3.569 50 0 FHAARO O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCC(Cc2ccncc2)CC1 ZINC000023340451 940237370 /nfs/dbraw/zinc/23/73/70/940237370.db2.gz ICZQBRWDKBLPPZ-QGZVFWFLSA-N 1 0 355.507 3.663 50 0 FHAARO Cc1ccc(CC[NH2+]C2CCN(c3ccc(-n4ccnc4C)cc3)CC2)o1 ZINC000023506306 940489883 /nfs/dbraw/zinc/48/98/83/940489883.db2.gz PCJIUVWLJYNCQZ-UHFFFAOYSA-N 1 0 364.493 3.883 50 0 FHAARO CCn1cc(C[NH+]2CCC3(CC2)C[C@H](Cc2ccccc2)CCO3)cn1 ZINC000581818397 940622913 /nfs/dbraw/zinc/62/29/13/940622913.db2.gz LPFSESCHYMNBPH-FQEVSTJZSA-N 1 0 353.510 3.907 50 0 FHAARO CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000178081569 940645133 /nfs/dbraw/zinc/64/51/33/940645133.db2.gz OXJJSQFGLIXLRP-MRXNPFEDSA-N 1 0 360.498 3.536 50 0 FHAARO Cc1ccc(C(=O)C(C(=S)NCc2ccco2)[n+]2ccccc2)cc1 ZINC000013468762 941465027 /nfs/dbraw/zinc/46/50/27/941465027.db2.gz WGWSMHYZCOSDNR-UHFFFAOYSA-O 1 0 351.451 3.877 50 0 FHAARO O=C(c1cc(F)ccc1F)N1CCOc2ccc(C[NH+]3CCCC3)cc2C1 ZINC000581820073 942858082 /nfs/dbraw/zinc/85/80/82/942858082.db2.gz YESRMNWSYJAWFN-UHFFFAOYSA-N 1 0 372.415 3.595 50 0 FHAARO CC(C)C[N@@H+]1C[C@H](c2ncco2)C2(C1)CCN(C(=O)c1ccccc1)CC2 ZINC000675014694 943621728 /nfs/dbraw/zinc/62/17/28/943621728.db2.gz PMNVEPRJRWKVQR-LJQANCHMSA-N 1 0 367.493 3.652 50 0 FHAARO Cc1ccc(NC(=O)N(CC[NH+]2CCCCC2)C2CCOCC2)cc1C ZINC000675023077 943635871 /nfs/dbraw/zinc/63/58/71/943635871.db2.gz XEWJFEORSDYTPO-UHFFFAOYSA-N 1 0 359.514 3.802 50 0 FHAARO Cc1sc2ccccc2c1C[N@@H+](Cc1cccnc1)C[C@@H]1CCC(=O)N1 ZINC000215204000 222641663 /nfs/dbraw/zinc/64/16/63/222641663.db2.gz KKVXWOKODLQPQD-KRWDZBQOSA-N 1 0 365.502 3.886 50 0 FHAARO COc1cccc2[nH]c(C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc21 ZINC000253412220 203908472 /nfs/dbraw/zinc/90/84/72/203908472.db2.gz QGKRGOGPCQHFMI-HNAYVOBHSA-N 1 0 355.482 3.513 50 0 FHAARO CCCc1nc2sc3c(ncnc3NCC[NH+](C)C)c2c2c1CCC2 ZINC000002409649 204037660 /nfs/dbraw/zinc/03/76/60/204037660.db2.gz FVJQUVHGWNZFDM-UHFFFAOYSA-N 1 0 355.511 3.654 50 0 FHAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)Cc3ccc(F)cc3)sc2c1 ZINC000010186769 204000607 /nfs/dbraw/zinc/00/06/07/204000607.db2.gz GGDLYASLAOTSCA-UHFFFAOYSA-N 1 0 371.481 3.881 50 0 FHAARO Cn1c2ccccc2nc1N1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000001370872 204002119 /nfs/dbraw/zinc/00/21/19/204002119.db2.gz IOQVVWHCSUJHPT-UHFFFAOYSA-N 1 0 369.856 3.581 50 0 FHAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[NH+](CC)CC ZINC000001466009 204009551 /nfs/dbraw/zinc/00/95/51/204009551.db2.gz XJOLAWUDLMYOTD-UHFFFAOYSA-N 1 0 360.479 3.872 50 0 FHAARO COCC[NH2+]C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000002339766 204033625 /nfs/dbraw/zinc/03/36/25/204033625.db2.gz DSIQFIHYYDCOLI-AWEZNQCLSA-N 1 0 367.276 3.698 50 0 FHAARO COc1ccc(N2C[C@@](O)(c3ccc(C)cc3C)[N+]3=C2CCCC3)cc1 ZINC000002966353 204071556 /nfs/dbraw/zinc/07/15/56/204071556.db2.gz CRTQJLRIWSHTLY-JOCHJYFZSA-N 1 0 351.470 3.572 50 0 FHAARO COc1ccc(N2C[C@](O)(c3ccc(C)cc3C)[N+]3=C2CCCC3)cc1 ZINC000002966352 204072100 /nfs/dbraw/zinc/07/21/00/204072100.db2.gz CRTQJLRIWSHTLY-QFIPXVFZSA-N 1 0 351.470 3.572 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003209295 204082364 /nfs/dbraw/zinc/08/23/64/204082364.db2.gz LWXKUAROMWUCKI-UHFFFAOYSA-N 1 0 368.506 3.672 50 0 FHAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[NH2+][C@@H](C)CC ZINC000002635079 204047497 /nfs/dbraw/zinc/04/74/97/204047497.db2.gz OJTKPZPGHSNOJW-ZDUSSCGKSA-N 1 0 360.479 3.918 50 0 FHAARO CC[NH+](CC)CCCNC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000002810457 204059478 /nfs/dbraw/zinc/05/94/78/204059478.db2.gz YCJDSSXTHQQUEB-UHFFFAOYSA-N 1 0 352.522 3.936 50 0 FHAARO S=C(NCc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000002851773 204062770 /nfs/dbraw/zinc/06/27/70/204062770.db2.gz BDHYQZLCEYRYHZ-UHFFFAOYSA-N 1 0 373.953 3.969 50 0 FHAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OCc1ccccc1Cl ZINC000002862235 204063367 /nfs/dbraw/zinc/06/33/67/204063367.db2.gz XNBYSSAJBPEUKS-UHFFFAOYSA-N 1 0 356.249 3.663 50 0 FHAARO O=C(Cc1c[nH]c2ccccc12)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000003350782 204094122 /nfs/dbraw/zinc/09/41/22/204094122.db2.gz ILZBAKFTSAYGOT-LJQANCHMSA-N 1 0 351.450 3.647 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000004669110 204153221 /nfs/dbraw/zinc/15/32/21/204153221.db2.gz HBCPLIQRZKIHJN-QGZVFWFLSA-N 1 0 374.488 3.901 50 0 FHAARO COc1ccc(CNC(=O)C2CC[NH+](C[C@H](C)c3ccccc3)CC2)cc1 ZINC000004725449 204159481 /nfs/dbraw/zinc/15/94/81/204159481.db2.gz HJKMHSVBFUCBLO-SFHVURJKSA-N 1 0 366.505 3.827 50 0 FHAARO O=C([C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1)N1CCCCC1 ZINC000004744881 204160770 /nfs/dbraw/zinc/16/07/70/204160770.db2.gz DALTVDLZVWJFER-MRXNPFEDSA-N 1 0 365.315 3.674 50 0 FHAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 ZINC000004812066 204165153 /nfs/dbraw/zinc/16/51/53/204165153.db2.gz VSQZJZUERLPDDV-IBGZPJMESA-N 1 0 351.425 3.791 50 0 FHAARO COc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CC[NH+](C)CC1 ZINC000004834744 204167871 /nfs/dbraw/zinc/16/78/71/204167871.db2.gz VRQLGVAZBMHLNH-LJQANCHMSA-N 1 0 363.461 3.661 50 0 FHAARO COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CC[NH+](C)CC1 ZINC000004834743 204168158 /nfs/dbraw/zinc/16/81/58/204168158.db2.gz VRQLGVAZBMHLNH-IBGZPJMESA-N 1 0 363.461 3.661 50 0 FHAARO CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000005525133 204213036 /nfs/dbraw/zinc/21/30/36/204213036.db2.gz UDJCJDFCXCKPIX-CTNGQTDRSA-N 1 0 350.462 3.842 50 0 FHAARO CCC[NH2+]C[C@@H]1[C@@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccccc1C ZINC000004992297 204182767 /nfs/dbraw/zinc/18/27/67/204182767.db2.gz ABNYDHIRIZXQEN-RTBURBONSA-N 1 0 358.869 3.811 50 0 FHAARO CCC[NH2+]C[C@H]1[C@@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccccc1C ZINC000004992298 204183017 /nfs/dbraw/zinc/18/30/17/204183017.db2.gz ABNYDHIRIZXQEN-RBUKOAKNSA-N 1 0 358.869 3.811 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005051192 204188037 /nfs/dbraw/zinc/18/80/37/204188037.db2.gz WCRKHLZTEWKKOV-AWEZNQCLSA-N 1 0 356.491 3.912 50 0 FHAARO COc1ccc(N2C(=O)[C@H](C[NH+]3CCCCC3)[C@@H]2c2ccccc2)cc1 ZINC000005720516 204221719 /nfs/dbraw/zinc/22/17/19/204221719.db2.gz LLCAMQMPRIAKTP-RTWAWAEBSA-N 1 0 350.462 3.885 50 0 FHAARO Cc1cc(=O)oc2cc(NC(=S)N[C@@H](C)C[NH+]3CCC(C)CC3)ccc12 ZINC000005811752 204225984 /nfs/dbraw/zinc/22/59/84/204225984.db2.gz NSJUBOUGOSTATK-HNNXBMFYSA-N 1 0 373.522 3.508 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Nc2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000006650247 204258107 /nfs/dbraw/zinc/25/81/07/204258107.db2.gz CWEAGIGFWXKNQS-HXUWFJFHSA-N 1 0 353.466 3.962 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Cc2ccsc2)[NH+]2CCCCC2)cc1 ZINC000005937454 204231151 /nfs/dbraw/zinc/23/11/51/204231151.db2.gz YRXXOSIWTBDQMJ-LJQANCHMSA-N 1 0 358.507 3.643 50 0 FHAARO CC(C)c1ccc(C[N@H+](C)C[C@H](O)COCc2ccc3c(c2)OCO3)cc1 ZINC000007007648 204286290 /nfs/dbraw/zinc/28/62/90/204286290.db2.gz JDRRXDDODYDZGZ-FQEVSTJZSA-N 1 0 371.477 3.548 50 0 FHAARO Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)cc1 ZINC000006784420 204269906 /nfs/dbraw/zinc/26/99/06/204269906.db2.gz QWYVCLZOFADHKF-OAQYLSRUSA-N 1 0 372.534 3.891 50 0 FHAARO O=C(NCC[NH+]1CCCCCC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000006804841 204271178 /nfs/dbraw/zinc/27/11/78/204271178.db2.gz NVSKDCNIBAYYNG-UHFFFAOYSA-N 1 0 356.491 3.913 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2cnc3c4cc(Cl)ccc4[nH]c3c2=O)C1 ZINC000006809347 204272783 /nfs/dbraw/zinc/27/27/83/204272783.db2.gz YAAPCIQCNOUERR-OKILXGFUSA-N 1 0 372.900 3.899 50 0 FHAARO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OC ZINC000006870212 204278315 /nfs/dbraw/zinc/27/83/15/204278315.db2.gz KDQLLTGCCFMEMC-UHFFFAOYSA-N 1 0 351.244 3.541 50 0 FHAARO COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(C)c(F)c2)c(OC)c1 ZINC000007739657 204306082 /nfs/dbraw/zinc/30/60/82/204306082.db2.gz LGKQSHLMRIULIB-IBGZPJMESA-N 1 0 372.440 3.927 50 0 FHAARO S=C(Nc1ccc(Oc2ccccc2)cc1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000007989871 204314560 /nfs/dbraw/zinc/31/45/60/204314560.db2.gz SHAQOSUHSIUKEG-LJQANCHMSA-N 1 0 353.491 3.860 50 0 FHAARO C[C@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CCCC1 ZINC000008327460 204327604 /nfs/dbraw/zinc/32/76/04/204327604.db2.gz SSDJHXCDVCEQKR-YJBOKZPZSA-N 1 0 367.518 3.962 50 0 FHAARO CN1CC2=C(NC1=[NH+]CCCCO)c1ccccc1CC21CCCCC1 ZINC000009134917 204355654 /nfs/dbraw/zinc/35/56/54/204355654.db2.gz UKWIAAUMAJCLPH-UHFFFAOYSA-N 1 0 353.510 3.568 50 0 FHAARO C[N@H+](CCCNc1c(=O)c(=O)c1-c1ccc(Cl)cc1)Cc1ccccc1 ZINC000009153099 204356009 /nfs/dbraw/zinc/35/60/09/204356009.db2.gz PMWUSHFNCIOZTK-UHFFFAOYSA-N 1 0 368.864 3.537 50 0 FHAARO COc1cc(C[NH2+]Cc2c(C)nn(C)c2C)ccc1OCc1ccccc1 ZINC000009389511 204365493 /nfs/dbraw/zinc/36/54/93/204365493.db2.gz CZXOASBOSFZEBX-UHFFFAOYSA-N 1 0 365.477 3.914 50 0 FHAARO CCC[NH+]1CCC(NC(=O)CCCOc2cccc3ccccc32)CC1 ZINC000036391177 204379537 /nfs/dbraw/zinc/37/95/37/204379537.db2.gz AKGFSJNFIKYEJQ-UHFFFAOYSA-N 1 0 354.494 3.989 50 0 FHAARO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)cc1 ZINC000009749431 204382801 /nfs/dbraw/zinc/38/28/01/204382801.db2.gz AZKSOJMXLNKRQD-LJQANCHMSA-N 1 0 359.832 3.974 50 0 FHAARO COC(=O)c1ccc(C[NH+]2CCC(Cn3cnc4ccccc43)CC2)cc1 ZINC000036708859 204384711 /nfs/dbraw/zinc/38/47/11/204384711.db2.gz UNPUTRGWXHZLRT-UHFFFAOYSA-N 1 0 363.461 3.735 50 0 FHAARO CC(C)Oc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000010451088 204396807 /nfs/dbraw/zinc/39/68/07/204396807.db2.gz GUHHXUARCJRYHO-UHFFFAOYSA-N 1 0 352.478 3.868 50 0 FHAARO O=C(CCC1CC[NH+](Cc2cccc(Cl)c2)CC1)NC[C@@H]1CCCO1 ZINC000012202600 204440825 /nfs/dbraw/zinc/44/08/25/204440825.db2.gz XHUWWOXHJKAWIM-IBGZPJMESA-N 1 0 364.917 3.627 50 0 FHAARO O=C(c1ccoc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012591548 204479269 /nfs/dbraw/zinc/47/92/69/204479269.db2.gz XVTJNFLAHIENCJ-HXUWFJFHSA-N 1 0 360.498 3.555 50 0 FHAARO O=C(NCCCc1ccccc1)[C@@H]1CC12CC[NH+](C1CCSCC1)CC2 ZINC000014998124 204597527 /nfs/dbraw/zinc/59/75/27/204597527.db2.gz VWJQJWGDCMDDGJ-FQEVSTJZSA-N 1 0 372.578 3.733 50 0 FHAARO Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000015860039 204623768 /nfs/dbraw/zinc/62/37/68/204623768.db2.gz NOWXFLFSCKHSIQ-LJQANCHMSA-N 1 0 356.466 3.619 50 0 FHAARO C[C@H]1C[C@H](C)C[NH+](CC2CCN(C(=O)NCCc3ccccc3)CC2)C1 ZINC000021718285 204758895 /nfs/dbraw/zinc/75/88/95/204758895.db2.gz DBTMQDSROSFVEE-OALUTQOASA-N 1 0 357.542 3.629 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCN(C(=O)NCCc3ccccc3)CC2)C1 ZINC000021718282 204759099 /nfs/dbraw/zinc/75/90/99/204759099.db2.gz DBTMQDSROSFVEE-KDURUIRLSA-N 1 0 357.542 3.629 50 0 FHAARO C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022916324 204790932 /nfs/dbraw/zinc/79/09/32/204790932.db2.gz ICRCWILFHAMNGS-KRWDZBQOSA-N 1 0 371.912 3.527 50 0 FHAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000040120911 204884722 /nfs/dbraw/zinc/88/47/22/204884722.db2.gz UHQKYCCYGDHLKM-UHFFFAOYSA-N 1 0 367.493 3.657 50 0 FHAARO COc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C(C)C)cc1OC ZINC000036095797 205003396 /nfs/dbraw/zinc/00/33/96/205003396.db2.gz IFSAATIRBIJJOR-LJQANCHMSA-N 1 0 373.493 3.663 50 0 FHAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COCC(C)C)cc1 ZINC000036102168 205004865 /nfs/dbraw/zinc/00/48/65/205004865.db2.gz NPKPHLVRJNSWCC-NRFANRHFSA-N 1 0 357.494 3.731 50 0 FHAARO Cc1ccccc1C[N@H+](C[C@H](O)COCc1ccccc1)C[C@H]1CCCO1 ZINC000036099997 205004885 /nfs/dbraw/zinc/00/48/85/205004885.db2.gz MCKFJXVKFHXMKJ-XZOQPEGZSA-N 1 0 369.505 3.554 50 0 FHAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C)cc1 ZINC000036101775 205005255 /nfs/dbraw/zinc/00/52/55/205005255.db2.gz NKLPNBMDCKCXHD-NRFANRHFSA-N 1 0 355.478 3.701 50 0 FHAARO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccco2)c1 ZINC000036098644 205005647 /nfs/dbraw/zinc/00/56/47/205005647.db2.gz WRIBMSHKKOFUAO-LJQANCHMSA-N 1 0 355.434 3.761 50 0 FHAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104317 205005917 /nfs/dbraw/zinc/00/59/17/205005917.db2.gz SECPKOQJOOHIOI-FQEVSTJZSA-N 1 0 359.441 3.532 50 0 FHAARO C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146536 205007717 /nfs/dbraw/zinc/00/77/17/205007717.db2.gz CCRYVKOEOBSQCC-KXBFYZLASA-N 1 0 358.869 3.716 50 0 FHAARO C[N@H+](CCCc1nc(-c2cccs2)no1)Cc1ccc2c(c1)OCO2 ZINC000037123893 205023566 /nfs/dbraw/zinc/02/35/66/205023566.db2.gz XSPJQVFGQBCQIU-UHFFFAOYSA-N 1 0 357.435 3.591 50 0 FHAARO c1csc(CN(Cc2ccccc2)c2cc([C@H]3CCC[NH2+]C3)ncn2)n1 ZINC000039445309 205045674 /nfs/dbraw/zinc/04/56/74/205045674.db2.gz ZQSYWCCYLCIFLH-KRWDZBQOSA-N 1 0 365.506 3.607 50 0 FHAARO COc1ccccc1[C@H](CNc1nn2cc(C(C)(C)C)nc2s1)[NH+](C)C ZINC000040051238 205051669 /nfs/dbraw/zinc/05/16/69/205051669.db2.gz YLFWVOMSECJZON-AWEZNQCLSA-N 1 0 373.526 3.812 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCO2 ZINC000040069150 205053171 /nfs/dbraw/zinc/05/31/71/205053171.db2.gz ZMBFBCSPJWVNTB-UHFFFAOYSA-N 1 0 370.880 3.669 50 0 FHAARO CC(C)c1nc(CC(=O)N2CCC[N@H+](Cc3cccs3)CC2)cs1 ZINC000040094084 205054962 /nfs/dbraw/zinc/05/49/62/205054962.db2.gz IYTWLHOEJNIGNN-UHFFFAOYSA-N 1 0 363.552 3.605 50 0 FHAARO NC(=O)c1ccc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000040135399 205059318 /nfs/dbraw/zinc/05/93/18/205059318.db2.gz GYNQHIBLDZCUQF-UHFFFAOYSA-N 1 0 369.852 3.960 50 0 FHAARO CCOc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1c(F)cccc1Cl ZINC000040744008 205079804 /nfs/dbraw/zinc/07/98/04/205079804.db2.gz WKSSBIMPTQWRHW-ZDUSSCGKSA-N 1 0 367.848 3.927 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Br)ccc1OC(C)C ZINC000040719661 205076629 /nfs/dbraw/zinc/07/66/29/205076629.db2.gz LAFXGBWLFIHGST-MRXNPFEDSA-N 1 0 355.320 3.810 50 0 FHAARO Clc1cccc(COc2ccc(C[NH2+]CCCN3CCOCC3)cc2)c1 ZINC000040719557 205077073 /nfs/dbraw/zinc/07/70/73/205077073.db2.gz DBQCYMPJODFQSX-UHFFFAOYSA-N 1 0 374.912 3.731 50 0 FHAARO CC(C)Oc1ccc(C[NH2+]CCCn2ccnc2)cc1Br ZINC000040719423 205077292 /nfs/dbraw/zinc/07/72/92/205077292.db2.gz HHGITKVLFJQYQN-UHFFFAOYSA-N 1 0 352.276 3.613 50 0 FHAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]Cc3ccco3)cc2)cc1 ZINC000040733117 205078262 /nfs/dbraw/zinc/07/82/62/205078262.db2.gz XDCUCYSAQKHCDT-UHFFFAOYSA-N 1 0 350.418 3.895 50 0 FHAARO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000044919821 205114253 /nfs/dbraw/zinc/11/42/53/205114253.db2.gz VKYDEEHROXWJIF-UHFFFAOYSA-N 1 0 370.468 3.753 50 0 FHAARO Cc1c2cc(Cl)cc(Br)c2oc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000299738400 205116221 /nfs/dbraw/zinc/11/62/21/205116221.db2.gz AFJNLWJZSDOZIF-SECBINFHSA-N 1 0 371.662 3.578 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000045463241 205122644 /nfs/dbraw/zinc/12/26/44/205122644.db2.gz LEEYKRUXTNQZID-CQSZACIVSA-N 1 0 369.456 3.769 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(Br)ccc1F ZINC000046989067 205141528 /nfs/dbraw/zinc/14/15/28/205141528.db2.gz RTCYJBZEQVQUAN-ZDUSSCGKSA-N 1 0 371.294 3.973 50 0 FHAARO COC(=O)c1ccc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000047797374 205149921 /nfs/dbraw/zinc/14/99/21/205149921.db2.gz DDFWMENJZYRMHD-UHFFFAOYSA-N 1 0 373.399 3.846 50 0 FHAARO CCCNC(=O)c1cccc(C[NH2+]Cc2ccc(Br)s2)c1 ZINC000047794421 205150028 /nfs/dbraw/zinc/15/00/28/205150028.db2.gz BXMINQGQQPYRAX-UHFFFAOYSA-N 1 0 367.312 3.940 50 0 FHAARO CCn1cnnc1-c1cccc(NC(=O)c2ccc(C[NH+](CC)CC)o2)c1 ZINC000048884142 205166102 /nfs/dbraw/zinc/16/61/02/205166102.db2.gz LFXXPRBIGWFEBR-UHFFFAOYSA-N 1 0 367.453 3.652 50 0 FHAARO CC(C)(CN1CCOCC1)C[N@H+](Cc1ccsc1)Cc1cccnc1 ZINC000055036198 205204451 /nfs/dbraw/zinc/20/44/51/205204451.db2.gz XCLPPJKQDOBXFR-UHFFFAOYSA-N 1 0 359.539 3.504 50 0 FHAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000055042045 205204493 /nfs/dbraw/zinc/20/44/93/205204493.db2.gz PIWZSBLHVVKZQQ-XZOQPEGZSA-N 1 0 362.517 3.956 50 0 FHAARO CC(=O)OCc1c(C)cc(C)c(C[NH2+][C@@H](c2nccn2C)C(C)C)c1C ZINC000055120334 205208291 /nfs/dbraw/zinc/20/82/91/205208291.db2.gz ZMRLPPQZPWWJMQ-HXUWFJFHSA-N 1 0 357.498 3.895 50 0 FHAARO C[N@H+](C[C@@H]1CCCN(CCc2ccccc2F)C1)C1CCSCC1 ZINC000055244256 205211178 /nfs/dbraw/zinc/21/11/78/205211178.db2.gz OSRWTTKQWWVUQZ-KRWDZBQOSA-N 1 0 350.547 3.908 50 0 FHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2cccc(C)n2)C1 ZINC000055270571 205212526 /nfs/dbraw/zinc/21/25/26/205212526.db2.gz GBICBKSTNMWILN-FQEVSTJZSA-N 1 0 367.537 3.785 50 0 FHAARO Cc1cccnc1Nc1ncc(C[NH2+]C[C@@H]2COc3ccccc3O2)s1 ZINC000055309006 205215167 /nfs/dbraw/zinc/21/51/67/205215167.db2.gz RRNUDLAJLUROCA-CQSZACIVSA-N 1 0 368.462 3.520 50 0 FHAARO Clc1ccccc1Cn1cc(C[NH2+]C[C@H]2COc3ccccc3C2)cn1 ZINC000053601478 205194540 /nfs/dbraw/zinc/19/45/40/205194540.db2.gz DGYFQKSTCFLJCN-INIZCTEOSA-N 1 0 367.880 3.926 50 0 FHAARO Cc1ccsc1C[N@H+](Cc1ccccc1OCC(N)=O)C1CCCC1 ZINC000055370805 205216721 /nfs/dbraw/zinc/21/67/21/205216721.db2.gz IUTYQOQXYGHPAA-UHFFFAOYSA-N 1 0 358.507 3.865 50 0 FHAARO C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000055739644 205223530 /nfs/dbraw/zinc/22/35/30/205223530.db2.gz RHXLVMGGCDZVAD-GOSISDBHSA-N 1 0 358.869 3.698 50 0 FHAARO C[C@@H]([NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)N1CCCC1 ZINC000056153317 205228319 /nfs/dbraw/zinc/22/83/19/205228319.db2.gz MJZSZDOPEMSOLN-IAGOWNOFSA-N 1 0 365.477 3.600 50 0 FHAARO C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)C(=O)Nc1ccccc1Cl ZINC000056207961 205230318 /nfs/dbraw/zinc/23/03/18/205230318.db2.gz PAFIIONSPBKHSK-OAHLLOKOSA-N 1 0 368.868 3.702 50 0 FHAARO COc1ccc(CNC(=O)[C@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000058137770 205251249 /nfs/dbraw/zinc/25/12/49/205251249.db2.gz OEKYKPCODCAABJ-ZDUSSCGKSA-N 1 0 366.383 3.509 50 0 FHAARO O=C1CC2(CCCC2)C(=O)N1C[NH2+]C1(c2ccc(Cl)cc2)CCCC1 ZINC000058169035 205254255 /nfs/dbraw/zinc/25/42/55/205254255.db2.gz NIKBWUFOJOIHOS-UHFFFAOYSA-N 1 0 360.885 3.976 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccco1 ZINC000058193166 205256813 /nfs/dbraw/zinc/25/68/13/205256813.db2.gz KZUGGDHZVNRZIU-GOSISDBHSA-N 1 0 367.449 3.676 50 0 FHAARO Clc1ccc(C2(NCc3nnnn3-c3ccccc3)CC2)cc1Cl ZINC000058203397 205260234 /nfs/dbraw/zinc/26/02/34/205260234.db2.gz PSYAOIZLDHWNMO-UHFFFAOYSA-N 1 0 360.248 3.748 50 0 FHAARO CCOc1ccc([C@H](NC(=O)NCC[NH+](CC)CC)c2ccccc2)cc1 ZINC000058209393 205260338 /nfs/dbraw/zinc/26/03/38/205260338.db2.gz KLUQLANDHKQZHD-OAQYLSRUSA-N 1 0 369.509 3.816 50 0 FHAARO Cn1ccnc1[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000058217814 205264027 /nfs/dbraw/zinc/26/40/27/205264027.db2.gz KKYAIEKTRKZKKB-NRFANRHFSA-N 1 0 374.488 3.535 50 0 FHAARO CCCN(Cc1occc1C(=O)OC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058218692 205264466 /nfs/dbraw/zinc/26/44/66/205264466.db2.gz BCUJXEOMAVXPKD-LJQANCHMSA-N 1 0 370.493 3.943 50 0 FHAARO O=C(Nc1ccc(Cc2ccncc2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058265893 205268887 /nfs/dbraw/zinc/26/88/87/205268887.db2.gz PIGASMKQMIEODG-NRFANRHFSA-N 1 0 364.493 3.765 50 0 FHAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2Cl)C1 ZINC000058358019 205273501 /nfs/dbraw/zinc/27/35/01/205273501.db2.gz MDMPRBBYGNMQRF-LLVKDONJSA-N 1 0 359.695 3.563 50 0 FHAARO CC(C)c1ncc(Cl)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000058391614 205274060 /nfs/dbraw/zinc/27/40/60/205274060.db2.gz NVXGYMBEXWPOPK-UHFFFAOYSA-N 1 0 372.900 3.779 50 0 FHAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(Cl)cc1 ZINC000057876969 205246181 /nfs/dbraw/zinc/24/61/81/205246181.db2.gz ASBVSTNMUSDXPK-CYBMUJFWSA-N 1 0 371.868 3.522 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCc2ccc(F)cc21 ZINC000060535103 205285585 /nfs/dbraw/zinc/28/55/85/205285585.db2.gz QZCBRDHPCVHQMG-UHFFFAOYSA-N 1 0 353.441 3.694 50 0 FHAARO COc1ccc(CN(CC[NH+](C)C)Cc2ccsc2)c(Cl)c1O ZINC000063855320 205296661 /nfs/dbraw/zinc/29/66/61/205296661.db2.gz BFYHOHPWQRTBCG-UHFFFAOYSA-N 1 0 354.903 3.680 50 0 FHAARO c1cc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCCC3)no2)co1 ZINC000065255049 205329607 /nfs/dbraw/zinc/32/96/07/205329607.db2.gz VEPQWBONUIYDFP-UHFFFAOYSA-N 1 0 363.421 3.832 50 0 FHAARO Cc1ccc(C)c(CNC(=O)C2=CC[N@H+](Cc3cccc(F)c3)CC2)c1 ZINC000064818112 205305449 /nfs/dbraw/zinc/30/54/49/205305449.db2.gz KBCSLIYMRSQRQY-UHFFFAOYSA-N 1 0 352.453 3.891 50 0 FHAARO CC[NH+](CC)CCCNC(=O)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967836 205311277 /nfs/dbraw/zinc/31/12/77/205311277.db2.gz DYWNHDMKMRZWHV-UHFFFAOYSA-N 1 0 365.477 3.880 50 0 FHAARO Cc1c(-c2c(-c3ccccc3)ncn2C[C@H](C(C)C)[NH+](C)C)cnn1C ZINC000065432550 205349777 /nfs/dbraw/zinc/34/97/77/205349777.db2.gz WTAPNTGUTRCVSW-LJQANCHMSA-N 1 0 351.498 3.845 50 0 FHAARO Cc1ccsc1C[N@@H+](C)Cc1ccc(C(=O)Nc2cnn(C)c2)cc1 ZINC000065460349 205351421 /nfs/dbraw/zinc/35/14/21/205351421.db2.gz PZNZPWIZBFGTQL-UHFFFAOYSA-N 1 0 354.479 3.674 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1 ZINC000065474290 205353887 /nfs/dbraw/zinc/35/38/87/205353887.db2.gz UVWAGJFXUKECPU-MRXNPFEDSA-N 1 0 372.538 3.777 50 0 FHAARO O=C(Nc1cccc(F)c1)c1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000065469557 205354489 /nfs/dbraw/zinc/35/44/89/205354489.db2.gz UUSZVBXCSZIYIN-FQEVSTJZSA-N 1 0 356.441 3.815 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)[C@@H](Oc2ccc(F)cc2F)C(C)C)CC1 ZINC000065493059 205355424 /nfs/dbraw/zinc/35/54/24/205355424.db2.gz FCKZHGRTDKRQOU-IBGZPJMESA-N 1 0 368.468 3.605 50 0 FHAARO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000065513917 205356759 /nfs/dbraw/zinc/35/67/59/205356759.db2.gz ZBUGEDCIGQBLSB-IIBYNOLFSA-N 1 0 374.529 3.913 50 0 FHAARO O=C(c1ccccc1)N1CCC([NH2+]C2(CN3CCCC3)CCCCC2)CC1 ZINC000065506744 205357051 /nfs/dbraw/zinc/35/70/51/205357051.db2.gz HVCUXMLVRPGMBW-UHFFFAOYSA-N 1 0 369.553 3.680 50 0 FHAARO CC[NH+]1CCC(CC(=O)N2CCC[C@]3(C=Cc4ccccc4O3)CC2)CC1 ZINC000065533183 205359235 /nfs/dbraw/zinc/35/92/35/205359235.db2.gz GHFVHUMSQCQKSM-QHCPKHFHSA-N 1 0 368.521 3.966 50 0 FHAARO CC(=O)c1cccc(NC(=O)c2cccc(C[N@@H+](C)C3CCOCC3)c2)c1 ZINC000065373041 205341495 /nfs/dbraw/zinc/34/14/95/205341495.db2.gz ZIIKNHOODMAGFJ-UHFFFAOYSA-N 1 0 366.461 3.752 50 0 FHAARO O=C(Nc1ccccc1CCO)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000065386945 205344088 /nfs/dbraw/zinc/34/40/88/205344088.db2.gz QQMZTGZOGDRPJF-UHFFFAOYSA-N 1 0 352.478 3.850 50 0 FHAARO CC[C@H](c1nc(CCc2ccccc2)nn1-c1cc[nH+]c(C)c1)n1cccn1 ZINC000065420805 205348376 /nfs/dbraw/zinc/34/83/76/205348376.db2.gz HBGGTEZPIDQKKC-HXUWFJFHSA-N 1 0 372.476 3.952 50 0 FHAARO CC(=O)Nc1ccc(-c2ccccc2C[NH+]2CCOCC2)c2cccnc12 ZINC000065406397 205348573 /nfs/dbraw/zinc/34/85/73/205348573.db2.gz ZXVQBZKYWQTYPN-UHFFFAOYSA-N 1 0 361.445 3.692 50 0 FHAARO CCC1CCN(C(=O)c2cc(C[N@H+](C)CCc3ccccc3)on2)CC1 ZINC000067473216 205372898 /nfs/dbraw/zinc/37/28/98/205372898.db2.gz WUMBFROBONOIQC-UHFFFAOYSA-N 1 0 355.482 3.611 50 0 FHAARO C[C@@H](C[NH+]1CCCC1)C(=O)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067458343 205373089 /nfs/dbraw/zinc/37/30/89/205373089.db2.gz BOMWVMWYCIJJAG-KRWDZBQOSA-N 1 0 366.509 3.515 50 0 FHAARO COc1cc(-c2ccc3c4c(ccc3c2)O[C@H](C[NH3+])C4)cc(OC)c1OC ZINC000067586967 205376857 /nfs/dbraw/zinc/37/68/57/205376857.db2.gz MFWQLTRUKIZLKP-INIZCTEOSA-N 1 0 365.429 3.795 50 0 FHAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc(SC)cc3)cnn2c1 ZINC000067642343 205378806 /nfs/dbraw/zinc/37/88/06/205378806.db2.gz ATPKSMBAXGFLCW-UHFFFAOYSA-N 1 0 369.494 3.545 50 0 FHAARO c1cc(CN2CCOCC2)cc(Oc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000067755982 205389340 /nfs/dbraw/zinc/38/93/40/205389340.db2.gz WETMXHSYEBBLNG-UHFFFAOYSA-N 1 0 352.478 3.907 50 0 FHAARO CC[C@H]1CN(C(=O)c2csc3nc(-c4ccc(Cl)cc4)cn23)CC[NH2+]1 ZINC000067855682 205397516 /nfs/dbraw/zinc/39/75/16/205397516.db2.gz BVDHSGDSVYLZLA-AWEZNQCLSA-N 1 0 374.897 3.540 50 0 FHAARO COC1(c2ccccc2)CCN(C(=O)c2ccccc2[C@@H]2CC[NH2+]C2)CC1 ZINC000072143368 205477934 /nfs/dbraw/zinc/47/79/34/205477934.db2.gz GXWGPXCLLBARSU-GOSISDBHSA-N 1 0 364.489 3.541 50 0 FHAARO Cc1cccc(OCC[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)c1C ZINC000082108263 205644709 /nfs/dbraw/zinc/64/47/09/205644709.db2.gz KBQPTGRYFJZVKI-UHFFFAOYSA-N 1 0 365.477 3.581 50 0 FHAARO CC(C)COC[C@@H](O)C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000095454546 205757369 /nfs/dbraw/zinc/75/73/69/205757369.db2.gz KDJPGGLNUZZXNV-ORFBVSJDSA-N 1 0 363.542 3.563 50 0 FHAARO Cc1csc2nc(C[NH2+][C@H]3c4cccc(F)c4CC[C@@H]3C)cc(=O)n12 ZINC000095462624 205761706 /nfs/dbraw/zinc/76/17/06/205761706.db2.gz SWGYQQLKCZHSOQ-BBATYDOGSA-N 1 0 357.454 3.617 50 0 FHAARO c1cnn(Cc2ccc(C[NH+]3CCC4(CNc5ccccc54)CC3)cc2)c1 ZINC000097076686 205896153 /nfs/dbraw/zinc/89/61/53/205896153.db2.gz GIRGZUCDNSTEEN-UHFFFAOYSA-N 1 0 358.489 3.891 50 0 FHAARO O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(C[NH+]2CCCC2)o1 ZINC000097785629 205926984 /nfs/dbraw/zinc/92/69/84/205926984.db2.gz WZRIVUHINZEDLK-NRFANRHFSA-N 1 0 361.445 3.790 50 0 FHAARO CCOc1ccccc1Oc1ccccc1C(=O)N1CCC([NH2+]C)CC1 ZINC000236970875 206014450 /nfs/dbraw/zinc/01/44/50/206014450.db2.gz AUGLBCTZBOVIGV-UHFFFAOYSA-N 1 0 354.450 3.702 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(F)cc2Br)C1 ZINC000046991395 206078990 /nfs/dbraw/zinc/07/89/90/206078990.db2.gz JNYISLPIQDXVMT-CYBMUJFWSA-N 1 0 371.294 3.830 50 0 FHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)C1 ZINC000237059919 206079479 /nfs/dbraw/zinc/07/94/79/206079479.db2.gz DDNKGINUDMKWPR-GOSISDBHSA-N 1 0 364.489 3.606 50 0 FHAARO COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(C)cc3)CC2)cc1F ZINC000047323819 206081014 /nfs/dbraw/zinc/08/10/14/206081014.db2.gz ZTDZPLYZISLUJQ-UHFFFAOYSA-N 1 0 371.456 3.929 50 0 FHAARO CCOC(=O)c1cccnc1NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000048314373 206082154 /nfs/dbraw/zinc/08/21/54/206082154.db2.gz DUOVXFPGFLCTTM-GOSISDBHSA-N 1 0 369.465 3.516 50 0 FHAARO O=c1cc(C[N@H+](Cc2ccco2)C2CCCC2)nc2ccc(Cl)cn12 ZINC000048374604 206084391 /nfs/dbraw/zinc/08/43/91/206084391.db2.gz ABETXXHLZRZUNF-UHFFFAOYSA-N 1 0 357.841 3.886 50 0 FHAARO Cc1ccc(C)n1CCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000049031049 206086424 /nfs/dbraw/zinc/08/64/24/206086424.db2.gz QPMCFIJDMBUVJN-UHFFFAOYSA-N 1 0 353.510 3.666 50 0 FHAARO Fc1ccccc1COc1ccccc1C[NH2+]CCOc1ccccn1 ZINC000113395858 206087619 /nfs/dbraw/zinc/08/76/19/206087619.db2.gz QGWXEIHWOAJMDC-UHFFFAOYSA-N 1 0 352.409 3.968 50 0 FHAARO CCOc1cc(C[NH2+]CCOc2ccccn2)cc(Cl)c1OCC ZINC000113396155 206089026 /nfs/dbraw/zinc/08/90/26/206089026.db2.gz FHNKIVSFTWCGGV-UHFFFAOYSA-N 1 0 350.846 3.701 50 0 FHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)C1 ZINC000237247266 206094827 /nfs/dbraw/zinc/09/48/27/206094827.db2.gz DDNKGINUDMKWPR-SFHVURJKSA-N 1 0 364.489 3.606 50 0 FHAARO CCOC[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000246277570 206125967 /nfs/dbraw/zinc/12/59/67/206125967.db2.gz WMMXOHNOHWSBNJ-OXQOHEQNSA-N 1 0 356.441 3.864 50 0 FHAARO C[N@H+](CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000005497031 206195428 /nfs/dbraw/zinc/19/54/28/206195428.db2.gz OGUSBZMFNGTZAG-UHFFFAOYSA-N 1 0 358.935 3.661 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000007828374 206211578 /nfs/dbraw/zinc/21/15/78/206211578.db2.gz WSOXBBGAUKTGMX-NTCAYCPXSA-N 1 0 352.478 3.867 50 0 FHAARO COc1ccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1Br ZINC000008328791 206245844 /nfs/dbraw/zinc/24/58/44/206245844.db2.gz QSZVDWTXWCZWCZ-CHWSQXEVSA-N 1 0 355.301 3.961 50 0 FHAARO CC(C)[N@@H+]1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)C[C@H]1CCO ZINC000104528241 206238494 /nfs/dbraw/zinc/23/84/94/206238494.db2.gz MXUUGPKVKQPQJV-OAQYLSRUSA-N 1 0 350.506 3.535 50 0 FHAARO Cc1ccc(C[N@@H+]2CCN(C/C=C/c3ccc(F)cc3)C[C@H]2CCO)cc1 ZINC000105272323 206239261 /nfs/dbraw/zinc/23/92/61/206239261.db2.gz TXPCJWFWMRHCAR-SLOGNQAFSA-N 1 0 368.496 3.716 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1ccc(NCc2cc(F)ccc2C)cc1 ZINC000170616128 206274719 /nfs/dbraw/zinc/27/47/19/206274719.db2.gz GBQBSDPPHPMQOI-UHFFFAOYSA-N 1 0 357.473 3.818 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(N2CCCC2)ccn1)c1ccsc1 ZINC000170610229 206274788 /nfs/dbraw/zinc/27/47/88/206274788.db2.gz LBNITDGNIAVVJU-IBGZPJMESA-N 1 0 372.538 3.556 50 0 FHAARO CC[N@H+](CCNC(=O)c1ccccc1C(F)(F)F)CCC(F)(F)F ZINC000170612928 206273913 /nfs/dbraw/zinc/27/39/13/206273913.db2.gz HQKAHTOPBQJECB-UHFFFAOYSA-N 1 0 356.310 3.710 50 0 FHAARO CN(Cc1cnccn1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000172240901 206281138 /nfs/dbraw/zinc/28/11/38/206281138.db2.gz ONQHOKSWAAZOBZ-UHFFFAOYSA-N 1 0 367.497 3.905 50 0 FHAARO CCc1ccc(C(=O)NC[C@H](c2cccn2C)[NH+]2CCCCCC2)cc1 ZINC000011846216 206286921 /nfs/dbraw/zinc/28/69/21/206286921.db2.gz OZPAMZMBQNQWEL-OAQYLSRUSA-N 1 0 353.510 3.935 50 0 FHAARO COc1ccc(CCC(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)cc1 ZINC000013011478 206300301 /nfs/dbraw/zinc/30/03/01/206300301.db2.gz SOTGZLQOEZQKTM-LJQANCHMSA-N 1 0 358.507 3.643 50 0 FHAARO COc1ccc(CN(C(=O)c2ccco2)[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013115759 206301691 /nfs/dbraw/zinc/30/16/91/206301691.db2.gz SUTXCIMFRCHMFF-TXPKVOOTSA-N 1 0 356.466 3.659 50 0 FHAARO C[C@@H](CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000106577807 206310599 /nfs/dbraw/zinc/31/05/99/206310599.db2.gz JGEPTCUNNGJRSO-YOEHRIQHSA-N 1 0 354.416 3.896 50 0 FHAARO COc1ccccc1C[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000013720562 206306159 /nfs/dbraw/zinc/30/61/59/206306159.db2.gz SZLBNDYZOKCTMX-UHFFFAOYSA-N 1 0 366.255 3.765 50 0 FHAARO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012871130 206333896 /nfs/dbraw/zinc/33/38/96/206333896.db2.gz OMRSGQRINMGSON-ZWKOTPCHSA-N 1 0 365.477 3.673 50 0 FHAARO CCc1nc(-c2cccc(NC(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)c2)n[nH]1 ZINC000023192567 206335861 /nfs/dbraw/zinc/33/58/61/206335861.db2.gz AHDKQEUKYRIXDY-AWEZNQCLSA-N 1 0 367.478 3.772 50 0 FHAARO Fc1ccc(Br)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000020567258 206342582 /nfs/dbraw/zinc/34/25/82/206342582.db2.gz ITFZNTRIAHGNGD-CYBMUJFWSA-N 1 0 352.203 3.518 50 0 FHAARO c1cn(CCCOc2ccc(C[N@@H+]3CCCC4(CCOCC4)C3)cc2)cn1 ZINC000215654818 206348979 /nfs/dbraw/zinc/34/89/79/206348979.db2.gz OKIUFFZEIOUVEU-UHFFFAOYSA-N 1 0 369.509 3.745 50 0 FHAARO O[C@@H](c1cccs1)C1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000216026955 206353565 /nfs/dbraw/zinc/35/35/65/206353565.db2.gz ZXGADTFYWWLFPB-HXUWFJFHSA-N 1 0 353.491 3.879 50 0 FHAARO Cc1cc(C(=O)N2CC[NH+](CC3CCC3)CC2)c2cccc(Cl)c2n1 ZINC000216134626 206355850 /nfs/dbraw/zinc/35/58/50/206355850.db2.gz XUWLZYZAQFQGEV-UHFFFAOYSA-N 1 0 357.885 3.755 50 0 FHAARO Cc1ccc(S[C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000058104430 206390142 /nfs/dbraw/zinc/39/01/42/206390142.db2.gz LTALLIVKUAQZTM-HKUYNNGSSA-N 1 0 354.519 3.866 50 0 FHAARO Cc1ccc(S[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000058104437 206390693 /nfs/dbraw/zinc/39/06/93/206390693.db2.gz LTALLIVKUAQZTM-MJGOQNOKSA-N 1 0 354.519 3.866 50 0 FHAARO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccc(Br)cc1 ZINC000022793054 206392349 /nfs/dbraw/zinc/39/23/49/206392349.db2.gz SIZJBRIDRRAWHE-UHFFFAOYSA-N 1 0 366.255 3.765 50 0 FHAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000023078446 206398678 /nfs/dbraw/zinc/39/86/78/206398678.db2.gz CUIUGCOOLYATSK-GFCCVEGCSA-N 1 0 373.280 3.597 50 0 FHAARO O=C(NCCCc1ccccn1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000223364653 206438537 /nfs/dbraw/zinc/43/85/37/206438537.db2.gz QIIFMCSNLHSYAG-UHFFFAOYSA-N 1 0 351.494 3.820 50 0 FHAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@@H]12 ZINC000240626734 206546597 /nfs/dbraw/zinc/54/65/97/206546597.db2.gz HIXYJQWLYQXPLW-QWFCFKBJSA-N 1 0 367.493 3.970 50 0 FHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000058424713 221119698 /nfs/dbraw/zinc/11/96/98/221119698.db2.gz NJEPBOXJFPPUAQ-HZSPNIEDSA-N 1 0 374.909 3.505 50 0 FHAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(c1cc(C)c3ccccc3n1)CC2 ZINC000091664162 132203081 /nfs/dbraw/zinc/20/30/81/132203081.db2.gz PPANXFMGOJAWKY-UHFFFAOYSA-N 1 0 361.493 3.640 50 0 FHAARO CC[C@@H]([NH2+]C1CCN(c2cc(=O)[nH]c(C(C)C)n2)CC1)c1cccs1 ZINC000095353923 132207051 /nfs/dbraw/zinc/20/70/51/132207051.db2.gz HQDMSQSJDMAXHA-OAHLLOKOSA-N 1 0 360.527 3.665 50 0 FHAARO CSc1ccc2cc(C[NH2+]CC(C)C)c(N3CCC[C@H](CO)C3)nc2c1 ZINC000299766132 132298406 /nfs/dbraw/zinc/29/84/06/132298406.db2.gz BAXHBQXEFXLIPO-INIZCTEOSA-N 1 0 373.566 3.911 50 0 FHAARO O=C(Nc1cccc(OC2CCCC2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000044203373 136121603 /nfs/dbraw/zinc/12/16/03/136121603.db2.gz ANSTXNHBCBKMRD-UHFFFAOYSA-N 1 0 366.465 3.757 50 0 FHAARO CCC[C@H]1CC[N@@H+](C2CCN(c3ccc(N4CCCC4=O)cc3)CC2)C1 ZINC000063857723 136132984 /nfs/dbraw/zinc/13/29/84/136132984.db2.gz OOJIDPYICYWBOP-SFHVURJKSA-N 1 0 355.526 3.904 50 0 FHAARO Cc1cc(N2CCO[C@@H](CC(c3ccccc3)c3ccccc3)C2)nc(N)[nH+]1 ZINC000071750371 136140140 /nfs/dbraw/zinc/14/01/40/136140140.db2.gz IIGLAUCIXAQMMW-FQEVSTJZSA-N 1 0 374.488 3.795 50 0 FHAARO CCSc1ncc(C[N@@H+]2CCCC23CCN(c2ccccn2)CC3)cn1 ZINC000072439718 136147675 /nfs/dbraw/zinc/14/76/75/136147675.db2.gz IXGYNYQRZJABNR-UHFFFAOYSA-N 1 0 369.538 3.619 50 0 FHAARO Cc1n[nH]c(CC[NH2+]C2CCN(c3cccc(-c4ccccc4)c3)CC2)n1 ZINC000023540985 136153141 /nfs/dbraw/zinc/15/31/41/136153141.db2.gz NJEAACOPFOUASA-UHFFFAOYSA-N 1 0 361.493 3.581 50 0 FHAARO Cc1cc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc(C)c1Cl ZINC000019781604 263375887 /nfs/dbraw/zinc/37/58/87/263375887.db2.gz BYNNJWFNXJTZCQ-LJQANCHMSA-N 1 0 374.912 3.519 50 0 FHAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc(-c2ccccn2)cc1 ZINC000426641415 263649003 /nfs/dbraw/zinc/64/90/03/263649003.db2.gz RMZOAHVVBMXYJF-QFIPXVFZSA-N 1 0 371.484 3.968 50 0 FHAARO CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091468928 518958804 /nfs/dbraw/zinc/95/88/04/518958804.db2.gz SQGOIOPFKKNJCU-FQEVSTJZSA-N 1 0 368.525 3.714 50 0 FHAARO CC(C)=CCC[C@@H](C)C[N@@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000091476211 519418358 /nfs/dbraw/zinc/41/83/58/519418358.db2.gz XHHGYLSRHZGJLB-GOSISDBHSA-N 1 0 372.557 3.888 50 0 FHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000020535739 520526401 /nfs/dbraw/zinc/52/64/01/520526401.db2.gz ZAKZUQSUUSXCDP-OAHLLOKOSA-N 1 0 361.511 3.792 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)n2cnc3ccccc32)cc1 ZINC000089968998 520749462 /nfs/dbraw/zinc/74/94/62/520749462.db2.gz QJPXIANJMPZUHN-QGZVFWFLSA-N 1 0 364.493 3.756 50 0 FHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)C1 ZINC000158905741 522044629 /nfs/dbraw/zinc/04/46/29/522044629.db2.gz IUPHOMPZYFGOHH-NSHDSACASA-N 1 0 369.943 3.905 50 0 FHAARO C[NH+](C)[C@H]1CCN(Cc2ccc(-c3ccccc3F)o2)C[C@H]1CCCO ZINC000091550353 522105713 /nfs/dbraw/zinc/10/57/13/522105713.db2.gz MCRRNZLLBLUBKY-UZLBHIALSA-N 1 0 360.473 3.610 50 0 FHAARO COc1cc(SC)c(OC)cc1C[N@@H+]1CC[C@](O)(c2ccccc2)C1 ZINC000216547067 522897384 /nfs/dbraw/zinc/89/73/84/522897384.db2.gz IQFGGJVGHQKVAM-HXUWFJFHSA-N 1 0 359.491 3.519 50 0 FHAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1c(-c2ccccc2)nc2ncccn12 ZINC000216363156 522933253 /nfs/dbraw/zinc/93/32/53/522933253.db2.gz RXGHGUPIAIIAAY-SFHVURJKSA-N 1 0 350.466 3.787 50 0 FHAARO C[N@H+](Cc1cc(-c2cccnc2)no1)C[C@]1(c2ccc(F)cc2)CCOC1 ZINC000019838591 523161652 /nfs/dbraw/zinc/16/16/52/523161652.db2.gz AGUXVMOMEMMBBO-OAQYLSRUSA-N 1 0 367.424 3.666 50 0 FHAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1nc(-c3cccc(C)c3)oc1C)C2 ZINC000091563470 523887833 /nfs/dbraw/zinc/88/78/33/523887833.db2.gz WSSZDCUXIPEYMG-AZUAARDMSA-N 1 0 369.509 3.501 50 0 FHAARO COc1ccc(C[NH2+]CC(O)(c2ccccc2)c2ccccc2)cc1OC ZINC000020365323 524069683 /nfs/dbraw/zinc/06/96/83/524069683.db2.gz ZMBWAOYIUDTICH-UHFFFAOYSA-N 1 0 363.457 3.730 50 0 FHAARO C[C@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCOc3c(Cl)cccc32)C1 ZINC000252474911 524087808 /nfs/dbraw/zinc/08/78/08/524087808.db2.gz OOFAAMJQGUBCBW-YOEHRIQHSA-N 1 0 365.905 3.585 50 0 FHAARO C[C@H]1CCC[C@H]([NH+]2CCN(C(=O)COc3ccc4ccccc4c3)CC2)C1 ZINC000020569784 524204643 /nfs/dbraw/zinc/20/46/43/524204643.db2.gz UNBUUESLNYKJKW-RXVVDRJESA-N 1 0 366.505 3.942 50 0 FHAARO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COCCOc2ccc(Cl)cc2)[C@H]1C ZINC000245228302 524410262 /nfs/dbraw/zinc/41/02/62/524410262.db2.gz OSISLWGQAJWPLM-GFIVTLFCSA-N 1 0 355.906 3.511 50 0 FHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000269273256 525020430 /nfs/dbraw/zinc/02/04/30/525020430.db2.gz NNGCATFMZOQFFS-YPMHNXCESA-N 1 0 373.722 3.621 50 0 FHAARO Cc1ccc(NC(=O)NCCCN2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000020889714 525156776 /nfs/dbraw/zinc/15/67/76/525156776.db2.gz SDEDIVNXZCCWKJ-UHFFFAOYSA-N 1 0 372.557 3.765 50 0 FHAARO Cc1ccc(NC(=O)NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)cc1C ZINC000082172122 525166533 /nfs/dbraw/zinc/16/65/33/525166533.db2.gz WOQDHVKPXUSJIP-UHFFFAOYSA-N 1 0 369.513 3.683 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CC[C@H]3CCCO3)cc2)C1 ZINC000252452736 525211494 /nfs/dbraw/zinc/21/14/94/525211494.db2.gz YZNZXJGPRVSDSQ-DBXWQHBBSA-N 1 0 358.526 3.740 50 0 FHAARO Cc1cnn(CCC[N@@H+]2CCC[C@@H](c3nccn3Cc3ccccc3)C2)c1 ZINC000082166190 526261173 /nfs/dbraw/zinc/26/11/73/526261173.db2.gz YPJQNOBPVMNQLT-OAQYLSRUSA-N 1 0 363.509 3.706 50 0 FHAARO c1nc(CN2C[C@H]3CC[C@H](C[N@H+]3CCSc3ccccc3)C2)cs1 ZINC000091713251 526597995 /nfs/dbraw/zinc/59/79/95/526597995.db2.gz SGFZBBBDMTUUTL-FUHWJXTLSA-N 1 0 359.564 3.832 50 0 FHAARO O=C(NCc1ccoc1)c1ccc([C@H]2CCC[N@@H+]2CC2CCOCC2)s1 ZINC000082039673 526800134 /nfs/dbraw/zinc/80/01/34/526800134.db2.gz TUAGDDFHLURQND-QGZVFWFLSA-N 1 0 374.506 3.835 50 0 FHAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](CCCCCF)CC2 ZINC000091656478 526962885 /nfs/dbraw/zinc/96/28/85/526962885.db2.gz LXNLARXQISGECW-UHFFFAOYSA-N 1 0 368.443 3.919 50 0 FHAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](Cc1ccccc1OC(F)F)C2 ZINC000091691528 527036536 /nfs/dbraw/zinc/03/65/36/527036536.db2.gz BXHIBAXQVZWVLA-FQEVSTJZSA-N 1 0 364.436 3.513 50 0 FHAARO O=C1N(CC2CC2)CCC[C@]12CC[N@@H+](Cc1ccccc1OC(F)F)C2 ZINC000091691526 527038248 /nfs/dbraw/zinc/03/82/48/527038248.db2.gz BXHIBAXQVZWVLA-HXUWFJFHSA-N 1 0 364.436 3.513 50 0 FHAARO O=Cc1cc(Cl)ccc1OCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020482393 527145134 /nfs/dbraw/zinc/14/51/34/527145134.db2.gz SXKACMMJQARWQU-UHFFFAOYSA-N 1 0 372.896 3.739 50 0 FHAARO Cc1nccn1CCC[N@@H+]1CCC[C@H](c2nccn2Cc2ccccc2)C1 ZINC000082092009 527412219 /nfs/dbraw/zinc/41/22/19/527412219.db2.gz KXBPHCOBOKWOQL-NRFANRHFSA-N 1 0 363.509 3.706 50 0 FHAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000020889939 527668033 /nfs/dbraw/zinc/66/80/33/527668033.db2.gz MHYWENYYYFKYFG-UHFFFAOYSA-N 1 0 372.900 3.674 50 0 FHAARO CCc1ccc2nc(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)cc(C)c2c1 ZINC000055575479 535832309 /nfs/dbraw/zinc/83/23/09/535832309.db2.gz XOIORGKSMPLWDB-LJQANCHMSA-N 1 0 367.537 3.779 50 0 FHAARO Cc1cc(C)c2c(CN3CCC([NH+]4CCCCC4)CC3)cc(=O)oc2c1 ZINC000012445415 560212024 /nfs/dbraw/zinc/21/20/24/560212024.db2.gz DEZCXDHAJMKBQF-UHFFFAOYSA-N 1 0 354.494 3.860 50 0 biogenic,in-vitro FHAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(Br)c1 ZINC000013425022 560216556 /nfs/dbraw/zinc/21/65/56/560216556.db2.gz AGZJPXXQAWUYDC-HOCLYGCPSA-N 1 0 352.272 3.870 50 0 biogenic,in-vitro FHAARO O[C@H](c1cc2n(n1)CCC[N@H+](C/C=C/c1ccccc1)C2)c1ccccc1 ZINC000220479731 568344348 /nfs/dbraw/zinc/34/43/48/568344348.db2.gz AHGVPGMGIARXND-BVRWQAIYSA-N 1 0 359.473 3.884 50 0 FHAARO COCC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2-c2ccc(F)cc2)C1 ZINC000220533156 568346426 /nfs/dbraw/zinc/34/64/26/568346426.db2.gz OQFLCKCJEHPQLM-QGZVFWFLSA-N 1 0 370.468 3.581 50 0 FHAARO COC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000221863733 568467704 /nfs/dbraw/zinc/46/77/04/568467704.db2.gz ZLLPIFCUYKOSCT-UONOGXRCSA-N 1 0 358.404 3.781 50 0 FHAARO COc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000000623184 570438811 /nfs/dbraw/zinc/43/88/11/570438811.db2.gz SYADZNLBJDYLKP-OAQYLSRUSA-N 1 0 371.888 3.999 50 0 FHAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)ccc1O ZINC000091845675 570440550 /nfs/dbraw/zinc/44/05/50/570440550.db2.gz IKKAODIHAOGCPZ-FXAWDEMLSA-N 1 0 368.452 3.576 50 0 FHAARO Fc1ccc(/C=C/C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)cc1 ZINC000091933319 570442825 /nfs/dbraw/zinc/44/28/25/570442825.db2.gz GVGGDCPXFROORL-RYOJHXHHSA-N 1 0 351.469 3.830 50 0 FHAARO CCOc1ccccc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091951458 570443368 /nfs/dbraw/zinc/44/33/68/570443368.db2.gz LNMNRYGWUYWXEO-PZJWPPBQSA-N 1 0 351.494 3.577 50 0 FHAARO Cc1ccc(-c2cc(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)[nH]n2)o1 ZINC000092037025 570445372 /nfs/dbraw/zinc/44/53/72/570445372.db2.gz GTTAHRGYAJBTRQ-IBGZPJMESA-N 1 0 364.449 3.545 50 0 FHAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)C2 ZINC000092062456 570446459 /nfs/dbraw/zinc/44/64/59/570446459.db2.gz OUHGXSJXAMSGEA-YLJYHZDGSA-N 1 0 364.493 3.579 50 0 FHAARO O=C1CCC2(CC[NH+](CCC(F)(F)F)CC2)CN1Cc1ccccc1 ZINC000092078745 570447078 /nfs/dbraw/zinc/44/70/78/570447078.db2.gz OHTVAHSOLGBFKG-UHFFFAOYSA-N 1 0 354.416 3.844 50 0 FHAARO CC(C)(C)c1cc(C[NH+]2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)[nH]n1 ZINC000092100015 570447613 /nfs/dbraw/zinc/44/76/13/570447613.db2.gz BHIHIYVEDPXIPU-UHFFFAOYSA-N 1 0 372.557 3.854 50 0 FHAARO COc1c(Cl)cc(Cl)cc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093017754 570448830 /nfs/dbraw/zinc/44/88/30/570448830.db2.gz TZHMVSFJMKNTBB-CQSZACIVSA-N 1 0 373.324 3.546 50 0 FHAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1ccc(-c2cc[nH]n2)cc1 ZINC000095352702 570452069 /nfs/dbraw/zinc/45/20/69/570452069.db2.gz KSLGWTAZBFQDQC-NRFANRHFSA-N 1 0 374.488 3.686 50 0 FHAARO CCc1nc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)no1 ZINC000095353774 570452303 /nfs/dbraw/zinc/45/23/03/570452303.db2.gz SBTOFLAXCLPACA-SFHVURJKSA-N 1 0 366.509 3.871 50 0 FHAARO Fc1cccc(Cl)c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095356060 570452644 /nfs/dbraw/zinc/45/26/44/570452644.db2.gz LOQCVFBVQHGKCK-DLBZAZTESA-N 1 0 359.876 3.971 50 0 FHAARO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000095364080 570454872 /nfs/dbraw/zinc/45/48/72/570454872.db2.gz LLEWXHFMBSLKBU-GOSISDBHSA-N 1 0 370.443 3.945 50 0 FHAARO Cc1nccn1CC[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000095364698 570454991 /nfs/dbraw/zinc/45/49/91/570454991.db2.gz LIXSTSINUWVCQI-OAQYLSRUSA-N 1 0 368.525 3.560 50 0 FHAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH2+]Cc2ccccc2)C(=O)CCC1 ZINC000000795438 570456718 /nfs/dbraw/zinc/45/67/18/570456718.db2.gz FOFXUKCWADGUFY-GOSISDBHSA-N 1 0 362.473 3.619 50 0 FHAARO CSc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 ZINC000095376102 570457802 /nfs/dbraw/zinc/45/78/02/570457802.db2.gz RHSUMYCWOAXGNE-FXAWDEMLSA-N 1 0 353.535 3.900 50 0 FHAARO O=C(c1ccc(F)c(F)c1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095378368 570458137 /nfs/dbraw/zinc/45/81/37/570458137.db2.gz SNVNLPVYDFJFKH-SJLPKXTDSA-N 1 0 356.416 3.701 50 0 FHAARO CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095380816 570459024 /nfs/dbraw/zinc/45/90/24/570459024.db2.gz WXRFSDAWBGQTTL-HNNXBMFYSA-N 1 0 369.490 3.760 50 0 FHAARO Oc1cccc([C@@H]2CN(Cc3ccc(F)cc3F)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095386082 570459991 /nfs/dbraw/zinc/45/99/91/570459991.db2.gz IXEBDFXCDFVCSA-KSEOMHKRSA-N 1 0 370.443 3.733 50 0 FHAARO CN(Cc1ccnc2ccccc12)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095386457 570460020 /nfs/dbraw/zinc/46/00/20/570460020.db2.gz PGILOSLJRJSNRA-IBGZPJMESA-N 1 0 359.473 3.974 50 0 FHAARO COCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1-c1ccccc1)C2 ZINC000095387975 570460896 /nfs/dbraw/zinc/46/08/96/570460896.db2.gz XIPIQHQPGUVJOU-SIKLNZKXSA-N 1 0 350.506 3.896 50 0 FHAARO Cc1ccc(C[NH+]2CCC(CNc3nccc(C(F)(F)F)n3)CC2)o1 ZINC000095391963 570461292 /nfs/dbraw/zinc/46/12/92/570461292.db2.gz ATROGHDODYQNSD-UHFFFAOYSA-N 1 0 354.376 3.721 50 0 FHAARO Cc1c2cc(C)ccc2oc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095498137 570462444 /nfs/dbraw/zinc/46/24/44/570462444.db2.gz HEIQFFZESCZBDY-QZTJIDSGSA-N 1 0 352.478 3.996 50 0 FHAARO O=C(Nc1ccccc1C(F)(F)F)N1CCC([NH+]2CCSCC2)CC1 ZINC000095512153 570466048 /nfs/dbraw/zinc/46/60/48/570466048.db2.gz CZXRCTKCIRZGIW-UHFFFAOYSA-N 1 0 373.444 3.751 50 0 FHAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](C2CCCCC2)CC3)c1 ZINC000095516472 570466508 /nfs/dbraw/zinc/46/65/08/570466508.db2.gz HPIVJTXANGKPIR-UHFFFAOYSA-N 1 0 356.510 3.842 50 0 FHAARO CCc1ccc(C(=O)N(CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)[nH]1 ZINC000095520485 570467372 /nfs/dbraw/zinc/46/73/72/570467372.db2.gz QXMKJRIGDARZGS-LJQANCHMSA-N 1 0 353.510 3.604 50 0 FHAARO COCc1ccc(C(=O)NC[C@H](c2ccccc2C)[NH+]2CCC(C)CC2)o1 ZINC000096141038 570476697 /nfs/dbraw/zinc/47/66/97/570476697.db2.gz BDWCJFQGCXEEPP-HXUWFJFHSA-N 1 0 370.493 3.937 50 0 FHAARO CCOc1ccc(NC(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)cc1Cl ZINC000096164052 570478151 /nfs/dbraw/zinc/47/81/51/570478151.db2.gz JZEUWHQZWXIQBN-CYBMUJFWSA-N 1 0 351.878 3.829 50 0 FHAARO Cc1ccsc1[C@H](CNC(=O)c1c[nH]nc1C1CCCCC1)[NH+](C)C ZINC000097088229 570484128 /nfs/dbraw/zinc/48/41/28/570484128.db2.gz LPHBHLWZHPXVOL-INIZCTEOSA-N 1 0 360.527 3.860 50 0 FHAARO Cc1ccsc1[C@@H](CNC(=O)c1c[nH]nc1C1CCCCC1)[NH+](C)C ZINC000097088226 570484159 /nfs/dbraw/zinc/48/41/59/570484159.db2.gz LPHBHLWZHPXVOL-MRXNPFEDSA-N 1 0 360.527 3.860 50 0 FHAARO C[C@H]1C[NH+](C2CCN(Cc3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000001167339 570486375 /nfs/dbraw/zinc/48/63/75/570486375.db2.gz AOUKAAGBQSJMAJ-GJZGRUSLSA-N 1 0 356.432 3.779 50 0 FHAARO c1cncc(-c2ccnc(NC[C@@H](c3cccnc3)[NH+]3CCCCC3)n2)c1 ZINC000097475475 570487841 /nfs/dbraw/zinc/48/78/41/570487841.db2.gz BPFDDOVWJBJKHJ-FQEVSTJZSA-N 1 0 360.465 3.573 50 0 FHAARO COc1cccc(-c2ccc(NC(=O)N3C[C@H]4[C@H](C[NH+](C)C)[C@H]4C3)cc2)c1 ZINC000102588959 570516065 /nfs/dbraw/zinc/51/60/65/570516065.db2.gz SHHWGUPZMUFHQR-MZADTFQBSA-N 1 0 365.477 3.634 50 0 FHAARO O=C(c1cccc(F)c1)N(C[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000034697320 570530906 /nfs/dbraw/zinc/53/09/06/570530906.db2.gz TUNOMVMIWQCNPY-OXJNMPFZSA-N 1 0 356.416 3.573 50 0 FHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc2ccccc2n1 ZINC000248086784 570596521 /nfs/dbraw/zinc/59/65/21/570596521.db2.gz SLJANTNMDZWMEC-XMSQKQJNSA-N 1 0 357.457 3.991 50 0 FHAARO CC[N@H+](C)C[C@H](C)CNC(=O)c1ccc(-c2ccccc2C(C)=O)cc1 ZINC000426490396 570608344 /nfs/dbraw/zinc/60/83/44/570608344.db2.gz CSWGRPGGKSXAHO-MRXNPFEDSA-N 1 0 352.478 3.874 50 0 FHAARO CC[N@@H+]1CCCN(C(=O)c2ccc(-c3cc(C(C)=O)ccc3F)cc2)CC1 ZINC000426535515 570614872 /nfs/dbraw/zinc/61/48/72/570614872.db2.gz NOMHEYXQMOHAHC-UHFFFAOYSA-N 1 0 368.452 3.863 50 0 FHAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)Cc1ccccc1 ZINC000011661124 570704236 /nfs/dbraw/zinc/70/42/36/570704236.db2.gz QQWGYVDMDJGPAL-UHFFFAOYSA-N 1 0 368.496 3.781 50 0 FHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C=C(C)C ZINC000011662881 570704587 /nfs/dbraw/zinc/70/45/87/570704587.db2.gz WVDOWSGQYWAPTG-HXUWFJFHSA-N 1 0 358.526 3.764 50 0 FHAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 ZINC000011844440 570709679 /nfs/dbraw/zinc/70/96/79/570709679.db2.gz CYUMRFIZGBURPV-SFHVURJKSA-N 1 0 370.497 3.886 50 0 FHAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1)NC1CC1 ZINC000011873639 570710325 /nfs/dbraw/zinc/71/03/25/570710325.db2.gz HTRZERBANPAQNW-AWEZNQCLSA-N 1 0 354.416 3.976 50 0 FHAARO CSCCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011879795 570710731 /nfs/dbraw/zinc/71/07/31/570710731.db2.gz SGEQFWDETCQSFK-QGZVFWFLSA-N 1 0 368.974 3.806 50 0 FHAARO Cc1c(C[N@@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cnn1C ZINC000011934588 570711832 /nfs/dbraw/zinc/71/18/32/570711832.db2.gz VMTBPCZRZAFOQX-HNNXBMFYSA-N 1 0 365.399 3.842 50 0 FHAARO c1cnn(-c2cccc(C[NH2+][C@H]3CCCc4c3cnn4-c3ccccn3)c2)c1 ZINC000011938598 570712612 /nfs/dbraw/zinc/71/26/12/570712612.db2.gz QZAWOIBRONAXJG-FQEVSTJZSA-N 1 0 370.460 3.620 50 0 FHAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)CC1 ZINC000012030845 570714600 /nfs/dbraw/zinc/71/46/00/570714600.db2.gz LMSOKYBLMSNHCO-INIZCTEOSA-N 1 0 350.453 3.620 50 0 FHAARO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3CC3CC3)cc2)n1 ZINC000012050432 570715456 /nfs/dbraw/zinc/71/54/56/570715456.db2.gz XYXSEYPRBCEIRM-FQEVSTJZSA-N 1 0 352.482 3.692 50 0 FHAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cccnc4C)C3)C2)c1 ZINC000012111796 570718852 /nfs/dbraw/zinc/71/88/52/570718852.db2.gz USDKCOLOFFLLPM-HSZRJFAPSA-N 1 0 363.505 3.827 50 0 FHAARO CCCn1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3F)C2)c(C)n1 ZINC000012203970 570727641 /nfs/dbraw/zinc/72/76/41/570727641.db2.gz GVHBYYFMJHKYOF-NRFANRHFSA-N 1 0 359.489 3.558 50 0 FHAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CC1=CCCCC1 ZINC000012299973 570733339 /nfs/dbraw/zinc/73/33/39/570733339.db2.gz OKJQGSJNRGISGB-UHFFFAOYSA-N 1 0 361.574 3.532 50 0 FHAARO CC(C)C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C(N)=O ZINC000012301576 570733728 /nfs/dbraw/zinc/73/37/28/570733728.db2.gz OBVZOKQLAFCLTR-FQEVSTJZSA-N 1 0 362.477 3.733 50 0 FHAARO Cc1ccn2cc(C(=O)N[C@H]3CCC[N@@H+](C4CCCCCC4)C3)nc2c1 ZINC000012316302 570736255 /nfs/dbraw/zinc/73/62/55/570736255.db2.gz VIAYIUNMGSJGDD-KRWDZBQOSA-N 1 0 354.498 3.560 50 0 FHAARO COc1ccccc1/C=C/C[N@H+]1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000012328695 570737110 /nfs/dbraw/zinc/73/71/10/570737110.db2.gz AWSYEFPUWJBXMA-VMPITWQZSA-N 1 0 368.452 3.582 50 0 FHAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)[C@H]2CC23CCCC3)CC1 ZINC000012439219 570745472 /nfs/dbraw/zinc/74/54/72/570745472.db2.gz WMCHUUZHZLJAKP-OAQYLSRUSA-N 1 0 354.538 3.980 50 0 FHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000017309793 570749026 /nfs/dbraw/zinc/74/90/26/570749026.db2.gz FVEVJDYROFHRPY-UHFFFAOYSA-N 1 0 353.397 3.647 50 0 FHAARO CC(=O)c1cc(C(=O)N(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cs1 ZINC000012594295 570752389 /nfs/dbraw/zinc/75/23/89/570752389.db2.gz BURHREAJSOSVBD-LJQANCHMSA-N 1 0 370.518 3.730 50 0 FHAARO Cc1ncc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)s1 ZINC000012593387 570752527 /nfs/dbraw/zinc/75/25/27/570752527.db2.gz GMRGUEKLTPMTNE-KRWDZBQOSA-N 1 0 361.530 3.977 50 0 FHAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccncc1 ZINC000012596687 570752895 /nfs/dbraw/zinc/75/28/95/570752895.db2.gz QOTWBHZEISEHBQ-SFHVURJKSA-N 1 0 371.912 3.762 50 0 FHAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3ccoc3C)CC2)cc1 ZINC000012704200 570756873 /nfs/dbraw/zinc/75/68/73/570756873.db2.gz QMFQBOMWHDKWDH-UHFFFAOYSA-N 1 0 370.493 3.623 50 0 FHAARO CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](CCc2ccccc2)CC1 ZINC000012703194 570757041 /nfs/dbraw/zinc/75/70/41/570757041.db2.gz XONWACXKRVAXQD-FQEVSTJZSA-N 1 0 359.510 3.834 50 0 FHAARO Fc1ccccc1-c1cnnc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000012710264 570757959 /nfs/dbraw/zinc/75/79/59/570757959.db2.gz BNLCNHUENRNQBW-QGZVFWFLSA-N 1 0 363.440 3.754 50 0 FHAARO CC[C@H](CNC(=O)c1cc(Br)ccc1Cl)[NH+]1CCCC1 ZINC000032653736 570766570 /nfs/dbraw/zinc/76/65/70/570766570.db2.gz RPAYFLLRASIJHS-GFCCVEGCSA-N 1 0 359.695 3.707 50 0 FHAARO CCCCCC[C@H](C)[NH2+]C[C@H](O)COc1ccc(C(=O)OCC)cc1 ZINC000014094907 570805258 /nfs/dbraw/zinc/80/52/58/570805258.db2.gz VVXQWQNIIRTXJZ-WMZOPIPTSA-N 1 0 351.487 3.552 50 0 FHAARO CCOC(=O)c1sc2nc(C)nc(NC3CC[NH+](C4CC4)CC3)c2c1C ZINC000014141584 570808787 /nfs/dbraw/zinc/80/87/87/570808787.db2.gz XFJLVCXAKNFORL-UHFFFAOYSA-N 1 0 374.510 3.524 50 0 FHAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCC(C)C ZINC000014530532 570819616 /nfs/dbraw/zinc/81/96/16/570819616.db2.gz HNCDLVNIAFICLC-KRWDZBQOSA-N 1 0 351.535 3.586 50 0 FHAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@@H](C)c2ccccc2)c1 ZINC000014880474 570825260 /nfs/dbraw/zinc/82/52/60/570825260.db2.gz NQKXXJGVFTULJY-WIYYLYMNSA-N 1 0 366.505 3.970 50 0 FHAARO Cc1cc(C)c(C[NH+]2CCC3(CC[C@H](CNC(=O)C(C)C)O3)CC2)cc1C ZINC000014886961 570825523 /nfs/dbraw/zinc/82/55/23/570825523.db2.gz MXHRGKMDPZSTDH-OAQYLSRUSA-N 1 0 372.553 3.898 50 0 FHAARO Cc1occc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000014971883 570827388 /nfs/dbraw/zinc/82/73/88/570827388.db2.gz VOQGXUCNXBMLFV-NRFANRHFSA-N 1 0 374.431 3.995 50 0 FHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000015062134 570830449 /nfs/dbraw/zinc/83/04/49/570830449.db2.gz KHXGVUKEQSRSKG-KRWDZBQOSA-N 1 0 362.477 3.513 50 0 FHAARO c1coc(CN2CCC([N@H+]3CCO[C@H](CCCc4ccccc4)C3)CC2)c1 ZINC000015065849 570830889 /nfs/dbraw/zinc/83/08/89/570830889.db2.gz JBMDUUUPIUGHDG-HSZRJFAPSA-N 1 0 368.521 3.968 50 0 FHAARO Cc1c([C@@H](C)NC2CC[NH+](C(C)C)CC2)cnn1-c1ccc(F)cc1F ZINC000015073555 570831516 /nfs/dbraw/zinc/83/15/16/570831516.db2.gz SSEZWWQLAFCTRG-CQSZACIVSA-N 1 0 362.468 3.982 50 0 FHAARO O=C1c2ccccc2C(=O)N1CC[NH+]1CCC(c2c[nH]c3ccccc23)CC1 ZINC000032879747 570834240 /nfs/dbraw/zinc/83/42/40/570834240.db2.gz VIGMLAAKWQNCMP-UHFFFAOYSA-N 1 0 373.456 3.644 50 0 FHAARO COc1ccccc1Nc1ncc2c(n1)CC[N@@H+](CCc1ccccc1)C2 ZINC000015778839 570843550 /nfs/dbraw/zinc/84/35/50/570843550.db2.gz GWGZFINMPJHZIA-UHFFFAOYSA-N 1 0 360.461 3.830 50 0 FHAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016580050 570858547 /nfs/dbraw/zinc/85/85/47/570858547.db2.gz UBLWCETWGCITOS-UHFFFAOYSA-N 1 0 361.873 3.906 50 0 FHAARO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000032927278 570867865 /nfs/dbraw/zinc/86/78/65/570867865.db2.gz AEDCGPXZRJSGOX-QGZVFWFLSA-N 1 0 368.525 3.572 50 0 FHAARO C[N@H+](CCc1c[nH]c2ccc(O)cc12)C[C@]1(c2ccc(F)cc2)CCOC1 ZINC000019224176 570882365 /nfs/dbraw/zinc/88/23/65/570882365.db2.gz FNHHBVMVEMDMED-JOCHJYFZSA-N 1 0 368.452 3.845 50 0 FHAARO OCC[C@H]1CN(C/C(Cl)=C/c2ccccc2)CC[N@@H+]1C1CCCCC1 ZINC000019228562 570883068 /nfs/dbraw/zinc/88/30/68/570883068.db2.gz JEXYGSJZTXPLIZ-SACXWWFQSA-N 1 0 362.945 3.968 50 0 FHAARO Cc1onc(-c2ccccc2)c1-c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000019758315 570902271 /nfs/dbraw/zinc/90/22/71/570902271.db2.gz OBMJNHRLKRMDGU-UHFFFAOYSA-N 1 0 373.416 3.716 50 0 FHAARO Cc1ccccc1N1CC[NH+](C[C@@]2(c3cccc(F)c3)CCOC2)CC1 ZINC000019771317 570902822 /nfs/dbraw/zinc/90/28/22/570902822.db2.gz UIACPXGZJKSNPF-QFIPXVFZSA-N 1 0 354.469 3.614 50 0 FHAARO Cc1ccc(N2C(=O)C[C@H]([NH2+][C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000019794634 570903255 /nfs/dbraw/zinc/90/32/55/570903255.db2.gz RYCUSVMSELEEDX-BTVRXIIASA-N 1 0 366.505 3.821 50 0 FHAARO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@H](CO)CC[C@H]1C ZINC000108369569 570906047 /nfs/dbraw/zinc/90/60/47/570906047.db2.gz SMNCJFKVMSDQAT-RDTXWAMCSA-N 1 0 361.917 3.794 50 0 FHAARO CC[NH+]1CCN(Cc2c(C)c(C)sc2NC(=O)c2ccccc2)CC1 ZINC000019938616 570907197 /nfs/dbraw/zinc/90/71/97/570907197.db2.gz MTQMRZOTKJDZCO-UHFFFAOYSA-N 1 0 357.523 3.755 50 0 FHAARO O[C@H](C[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1)c1ccccc1 ZINC000020406002 570915681 /nfs/dbraw/zinc/91/56/81/570915681.db2.gz YOUBOQIJYGWXRG-QGZVFWFLSA-N 1 0 373.909 3.805 50 0 FHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3cc(F)ccc3F)cc2)CC1 ZINC000020500786 570918658 /nfs/dbraw/zinc/91/86/58/570918658.db2.gz LMBXYHYXCRYICY-UHFFFAOYSA-N 1 0 374.435 3.746 50 0 FHAARO Cc1cc(C)cc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)c1 ZINC000021170529 570928774 /nfs/dbraw/zinc/92/87/74/570928774.db2.gz GAWKKSBVWSIBJP-HXUWFJFHSA-N 1 0 358.526 3.939 50 0 FHAARO Cc1ccc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1C ZINC000021170541 570928988 /nfs/dbraw/zinc/92/89/88/570928988.db2.gz KGKHXIUGGJNXHP-HXUWFJFHSA-N 1 0 358.526 3.939 50 0 FHAARO CO[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000072048891 570930428 /nfs/dbraw/zinc/93/04/28/570930428.db2.gz LRRMQTWAHHSTTD-HXUWFJFHSA-N 1 0 370.518 3.604 50 0 FHAARO COc1ccc2cc(-c3n[nH]cc3CN(C)C[C@H]3CCC[N@@H+]3C)ccc2c1 ZINC000022851520 570951202 /nfs/dbraw/zinc/95/12/02/570951202.db2.gz NOGASNABZBYSPC-HXUWFJFHSA-N 1 0 364.493 3.765 50 0 FHAARO Cc1cccc(NC(=O)CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000023095817 570955991 /nfs/dbraw/zinc/95/59/91/570955991.db2.gz DAXOBQRMVLVOPT-UHFFFAOYSA-N 1 0 367.537 3.520 50 0 FHAARO O=C1NCCCC[C@@H]1[NH2+]C1CCN(c2ccc(-c3ccccc3)cc2)CC1 ZINC000023145243 570957556 /nfs/dbraw/zinc/95/75/56/570957556.db2.gz NVAWMNNSUUOVAB-QFIPXVFZSA-N 1 0 363.505 3.581 50 0 FHAARO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3C)C2)cc1 ZINC000023159270 570958018 /nfs/dbraw/zinc/95/80/18/570958018.db2.gz IANFYVAWPIKLTE-FQEVSTJZSA-N 1 0 366.505 3.575 50 0 FHAARO COc1ccc(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)cc1OC ZINC000048784742 570959751 /nfs/dbraw/zinc/95/97/51/570959751.db2.gz ITLQFGMWQNFSOL-UHFFFAOYSA-N 1 0 357.454 3.524 50 0 FHAARO CN1CCN(c2ccc(N3CCC([NH2+]CC4=CCCCC4)CC3)cc2)C1=O ZINC000023619261 570965668 /nfs/dbraw/zinc/96/56/68/570965668.db2.gz IXXWKXCPUHSUBZ-UHFFFAOYSA-N 1 0 368.525 3.617 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@H](c2ccccc2)C1 ZINC000069922733 570981882 /nfs/dbraw/zinc/98/18/82/570981882.db2.gz MQEHLGCZIYVZQT-QFIPXVFZSA-N 1 0 363.505 3.982 50 0 FHAARO O=C(Cc1c(Cl)cccc1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000025540932 570996812 /nfs/dbraw/zinc/99/68/12/570996812.db2.gz FGQVOBUHXGALDU-UHFFFAOYSA-N 1 0 363.288 3.880 50 0 FHAARO Cc1sc2[nH]c([C@@H](C)[NH2+]CCc3c[nH]c4ccccc34)nc(=O)c2c1C ZINC000025776768 571000455 /nfs/dbraw/zinc/00/04/55/571000455.db2.gz NMYMZNBLLIRHTJ-GFCCVEGCSA-N 1 0 366.490 3.976 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccs2)cc1 ZINC000026310918 571004605 /nfs/dbraw/zinc/00/46/05/571004605.db2.gz KDTQVNREAUIFNY-CQSZACIVSA-N 1 0 352.525 3.629 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027793046 571021075 /nfs/dbraw/zinc/02/10/75/571021075.db2.gz NEGFPPNZJJNQAM-LJQANCHMSA-N 1 0 372.896 3.981 50 0 FHAARO COc1cc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)cc(Cl)c1OC ZINC000225345862 571029554 /nfs/dbraw/zinc/02/95/54/571029554.db2.gz FMDZTWHGAYBYJH-SFHVURJKSA-N 1 0 360.885 3.846 50 0 FHAARO CC(C)OC(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029485788 571040735 /nfs/dbraw/zinc/04/07/35/571040735.db2.gz LZVCSOPGJCELQM-FQEVSTJZSA-N 1 0 366.461 3.810 50 0 FHAARO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000012689548 571043643 /nfs/dbraw/zinc/04/36/43/571043643.db2.gz MEFXITHJOAQDJI-HXUWFJFHSA-N 1 0 363.461 3.837 50 0 FHAARO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000012686427 571044260 /nfs/dbraw/zinc/04/42/60/571044260.db2.gz RUACAQMLKDKDAT-HNNXBMFYSA-N 1 0 359.882 3.919 50 0 FHAARO c1ccc(CC2CC[NH+](CCN3CCn4c5ccccc5nc43)CC2)cc1 ZINC000001251732 571044724 /nfs/dbraw/zinc/04/47/24/571044724.db2.gz NJWATBACLJBHQO-UHFFFAOYSA-N 1 0 360.505 3.811 50 0 FHAARO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccccc2Cn2ccnc2)o1 ZINC000029207116 571045244 /nfs/dbraw/zinc/04/52/44/571045244.db2.gz FLLDICOBGRAXQN-UHLKUBKWSA-N 1 0 361.445 3.977 50 0 FHAARO Cc1ccc(-c2cc3n(n2)[C@@H]([NH2+]CCC2=CCCCC2)CNC3=O)cc1 ZINC000263618397 571048028 /nfs/dbraw/zinc/04/80/28/571048028.db2.gz STVOUCKVFZGWJK-HXUWFJFHSA-N 1 0 350.466 3.581 50 0 FHAARO CC1(C)C(c2ccccn2)[N+](=O)[C@@H](c2ccc(Cl)cc2Cl)N1O ZINC000001297685 571048260 /nfs/dbraw/zinc/04/82/60/571048260.db2.gz TZRNYKDNJLIXPA-OAHLLOKOSA-N 1 0 352.221 3.870 50 0 FHAARO CC[N@H+](C)C[C@H]1CCN(c2nc3c(Cl)c(C)nn3c3ccccc32)C1 ZINC000072302152 571055522 /nfs/dbraw/zinc/05/55/22/571055522.db2.gz XXEDLHIRKOECIU-CQSZACIVSA-N 1 0 357.889 3.622 50 0 FHAARO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@H]1CCCC(F)(F)C1 ZINC000225769774 571064028 /nfs/dbraw/zinc/06/40/28/571064028.db2.gz ZEOPUSNIWMFZST-OAHLLOKOSA-N 1 0 367.440 3.731 50 0 FHAARO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(Sc2ccccn2)CC1 ZINC000072308935 571067051 /nfs/dbraw/zinc/06/70/51/571067051.db2.gz ZHUPNSNLCLAXBB-SJORKVTESA-N 1 0 361.555 3.818 50 0 FHAARO C[NH+](C)CC[C@H](OC(=O)C[C@@H]1OCCc2ccccc21)c1cccs1 ZINC000072310681 571070697 /nfs/dbraw/zinc/07/06/97/571070697.db2.gz CSCMAFRASXYRKC-ROUUACIJSA-N 1 0 359.491 3.988 50 0 FHAARO c1ccc(-n2nnnc2C2([NH+]3CCCCC3)C3CC4CC(C3)CC2C4)cc1 ZINC000035170789 571076063 /nfs/dbraw/zinc/07/60/63/571076063.db2.gz HBOVLNADQUUXMJ-UHFFFAOYSA-N 1 0 363.509 3.800 50 0 FHAARO O=C(CC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1)Nc1cccc(Cl)c1 ZINC000025949998 571091728 /nfs/dbraw/zinc/09/17/28/571091728.db2.gz KZHLMPRUTWTGAX-GOSISDBHSA-N 1 0 371.868 3.772 50 0 FHAARO C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000069619795 571100014 /nfs/dbraw/zinc/10/00/14/571100014.db2.gz IDLFVOWECITYNA-LPHOPBHVSA-N 1 0 355.457 3.652 50 0 FHAARO Cc1ccccc1OCC[N@@H+](C)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000012787086 571101049 /nfs/dbraw/zinc/10/10/49/571101049.db2.gz LLLIIBJXKOCFPI-UHFFFAOYSA-N 1 0 353.418 3.626 50 0 FHAARO CCC[C@@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc(CC)cc3)n[nH]2)CC1 ZINC000015679308 571103432 /nfs/dbraw/zinc/10/34/32/571103432.db2.gz QGPQBTMCNPWSHE-MRXNPFEDSA-N 1 0 354.498 3.586 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(CSC)cc3)cc2)CC1 ZINC000009368634 571107052 /nfs/dbraw/zinc/10/70/52/571107052.db2.gz MAISQMFDZUEDQE-UHFFFAOYSA-N 1 0 369.534 3.944 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1cccn1Cc1cccs1)c1cccs1 ZINC000070004350 571107563 /nfs/dbraw/zinc/10/75/63/571107563.db2.gz UZEWIAASTMQTKR-INIZCTEOSA-N 1 0 359.520 3.692 50 0 FHAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCC[N@H+](C)C3CCCCC3)c21 ZINC000015727446 571110629 /nfs/dbraw/zinc/11/06/29/571110629.db2.gz KYMVCUBJFGZNOU-UHFFFAOYSA-N 1 0 374.485 3.693 50 0 FHAARO O=C(NC1CCCCC1)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000015727046 571110753 /nfs/dbraw/zinc/11/07/53/571110753.db2.gz CELRXKISPFLXKC-UHFFFAOYSA-N 1 0 370.472 3.541 50 0 FHAARO Cc1cc(C)n(-c2ccccc2CN2CC[NH+](C3CCSCC3)CC2)n1 ZINC000244659504 571114177 /nfs/dbraw/zinc/11/41/77/571114177.db2.gz HDUUGYOVBHDCST-UHFFFAOYSA-N 1 0 370.566 3.502 50 0 FHAARO CN1CC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C[C@@H]1c1ccccc1 ZINC000244691761 571114307 /nfs/dbraw/zinc/11/43/07/571114307.db2.gz JIVAPZRTILCRGT-JOCHJYFZSA-N 1 0 372.468 3.999 50 0 FHAARO Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)o1 ZINC000009616921 571115580 /nfs/dbraw/zinc/11/55/80/571115580.db2.gz STWLHUZLPCVTAS-UHFFFAOYSA-N 1 0 367.371 3.611 50 0 FHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(C)cc2)CC1 ZINC000012818815 571116114 /nfs/dbraw/zinc/11/61/14/571116114.db2.gz KNUJLXLJEAGCLZ-UHFFFAOYSA-N 1 0 371.912 3.972 50 0 FHAARO Cc1cc(C)n(-c2ccc(NC(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)cc2)n1 ZINC000244852501 571117791 /nfs/dbraw/zinc/11/77/91/571117791.db2.gz UTNXLGFIEFVSKJ-INIZCTEOSA-N 1 0 367.497 3.580 50 0 FHAARO Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1Cl ZINC000244882426 571118604 /nfs/dbraw/zinc/11/86/04/571118604.db2.gz XRMATJQYSZMNRT-OAHLLOKOSA-N 1 0 360.889 3.590 50 0 FHAARO CCCCc1ccc(-n2cc(C[NH2+][C@H](C)Cc3cc(C)n[nH]3)cn2)cc1 ZINC000055575536 571121102 /nfs/dbraw/zinc/12/11/02/571121102.db2.gz WCQPVRSTFKLGIF-MRXNPFEDSA-N 1 0 351.498 3.967 50 0 FHAARO Cc1nn(C)c(C)c1C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C(C)C ZINC000055575677 571121389 /nfs/dbraw/zinc/12/13/89/571121389.db2.gz PYBHTEAEITUKDD-UHFFFAOYSA-N 1 0 355.461 3.977 50 0 FHAARO COc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057127652 571122025 /nfs/dbraw/zinc/12/20/25/571122025.db2.gz QWPHLWUDPMMDDY-QGZVFWFLSA-N 1 0 352.478 3.785 50 0 FHAARO OCCCC[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000247763364 571125795 /nfs/dbraw/zinc/12/57/95/571125795.db2.gz IZGALTUINDDMKI-UHFFFAOYSA-N 1 0 370.884 3.509 50 0 FHAARO CCCCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000248229097 571128173 /nfs/dbraw/zinc/12/81/73/571128173.db2.gz KDUBFNQGNXGPIS-SFHVURJKSA-N 1 0 370.541 3.917 50 0 FHAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000252499407 571133349 /nfs/dbraw/zinc/13/33/49/571133349.db2.gz SADCTAOBGGHSGV-UHFFFAOYSA-N 1 0 352.459 3.950 50 0 FHAARO COCCNC(=O)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669583 571147414 /nfs/dbraw/zinc/14/74/14/571147414.db2.gz KHOMTMIIGQZDQS-TZIWHRDSSA-N 1 0 370.468 3.542 50 0 FHAARO C[NH+]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000025539173 571148686 /nfs/dbraw/zinc/14/86/86/571148686.db2.gz ZILPXUMQLVRNAE-UHFFFAOYSA-N 1 0 366.896 3.940 50 0 FHAARO COc1ccc(-c2nc(C[NH+]3CCC(CCO)CC3)c(C)o2)c(OC)c1C ZINC000067894444 571151672 /nfs/dbraw/zinc/15/16/72/571151672.db2.gz FEENRLCAGWUWNG-UHFFFAOYSA-N 1 0 374.481 3.570 50 0 FHAARO O=C(c1ccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)o1)N1CCCC1 ZINC000067909162 571151854 /nfs/dbraw/zinc/15/18/54/571151854.db2.gz PUTOFIXNXHDQGF-GOSISDBHSA-N 1 0 368.477 3.963 50 0 FHAARO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000075110923 571156130 /nfs/dbraw/zinc/15/61/30/571156130.db2.gz UMVHXRXVVQSSHJ-OAQYLSRUSA-N 1 0 370.449 3.739 50 0 FHAARO CC(C)NC(=O)[C@@H](C)N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000071315333 571160665 /nfs/dbraw/zinc/16/06/65/571160665.db2.gz HQNOBMWXNCOGLA-OAHLLOKOSA-N 1 0 363.461 3.766 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2)cc1 ZINC000026311200 571160869 /nfs/dbraw/zinc/16/08/69/571160869.db2.gz SVKHLVHBIRLCFQ-OAHLLOKOSA-N 1 0 364.486 3.707 50 0 FHAARO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000075358642 571162616 /nfs/dbraw/zinc/16/26/16/571162616.db2.gz ZXQDMCKJNVRGKZ-OXQOHEQNSA-N 1 0 374.525 3.926 50 0 FHAARO COc1ccc(-c2nc(C[NH+]3CCC(C(C)(C)O)CC3)c(C)o2)c(F)c1 ZINC000071589652 571162994 /nfs/dbraw/zinc/16/29/94/571162994.db2.gz LDBSBMHWJRZJPE-UHFFFAOYSA-N 1 0 362.445 3.781 50 0 FHAARO CCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)on1 ZINC000071747928 571164598 /nfs/dbraw/zinc/16/45/98/571164598.db2.gz POPRJHLKERBDGM-IBGZPJMESA-N 1 0 373.472 3.749 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2cccc3ncccc32)CCC[N@@H+]1CC1CC1 ZINC000071758950 571165534 /nfs/dbraw/zinc/16/55/34/571165534.db2.gz JUSYFAPUAGKQMV-NRFANRHFSA-N 1 0 351.494 3.817 50 0 FHAARO O=C(c1cccc2cc[nH]c21)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071762416 571165753 /nfs/dbraw/zinc/16/57/53/571165753.db2.gz KPWKSGPCYCIXDI-MDNUFGMLSA-N 1 0 371.484 3.870 50 0 FHAARO CC(C)[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)CCC(=O)N1CC1CC1 ZINC000071770949 571166296 /nfs/dbraw/zinc/16/62/96/571166296.db2.gz HFLLLABCWXIAIA-NRFANRHFSA-N 1 0 351.494 3.704 50 0 FHAARO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCN(Cc3cccnc3)CC2)c1C ZINC000072120849 571170056 /nfs/dbraw/zinc/17/00/56/571170056.db2.gz BPEXKNYWHQCIAL-UHFFFAOYSA-N 1 0 365.521 3.917 50 0 FHAARO Cn1ccc2ccc(C[NH+]3CCC(c4nnc5n4CCCCC5)CC3)cc21 ZINC000072130863 571171121 /nfs/dbraw/zinc/17/11/21/571171121.db2.gz PTEAMUGXGGZKRK-UHFFFAOYSA-N 1 0 363.509 3.876 50 0 FHAARO CCN(C)C(=O)c1ccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)nc1 ZINC000072130885 571171212 /nfs/dbraw/zinc/17/12/12/571171212.db2.gz XXIWYBKVTJXQFJ-LJQANCHMSA-N 1 0 367.493 3.621 50 0 FHAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)CSCC4)CC1 ZINC000072132123 571171214 /nfs/dbraw/zinc/17/12/14/571171214.db2.gz VQBJHVGUTLVTJM-HNNXBMFYSA-N 1 0 357.523 3.514 50 0 FHAARO Cc1nc2c(cnn2C)c(NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000072143125 571172002 /nfs/dbraw/zinc/17/20/02/571172002.db2.gz VASOOMHGUINLIA-IBGZPJMESA-N 1 0 364.497 3.701 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000575619992 571172368 /nfs/dbraw/zinc/17/23/68/571172368.db2.gz HIIOVRQNKBICCB-KRWDZBQOSA-N 1 0 355.413 3.674 50 0 FHAARO COc1ccc2n[nH]c(C[NH+]3CCC(C(C)=O)(c4ccccc4)CC3)c2c1 ZINC000072144182 571172370 /nfs/dbraw/zinc/17/23/70/571172370.db2.gz DSZWUAQFISZZAP-UHFFFAOYSA-N 1 0 363.461 3.694 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1cc2ccccc2o1 ZINC000575620014 571172591 /nfs/dbraw/zinc/17/25/91/571172591.db2.gz HOMYMYUQEOBCGX-OAHLLOKOSA-N 1 0 367.405 3.586 50 0 FHAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CC4CCC4)C3)C2)c1OC ZINC000072145524 571173073 /nfs/dbraw/zinc/17/30/73/571173073.db2.gz WIUMHUIGLWQYTB-QFIPXVFZSA-N 1 0 358.526 3.792 50 0 FHAARO COc1cccc([C@H]2CN(Cc3csc(C)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072148269 571173839 /nfs/dbraw/zinc/17/38/39/571173839.db2.gz DRGKURWKOCKNJW-NJDAHSKKSA-N 1 0 369.534 3.522 50 0 FHAARO CN(C)N1c2ccccc2[C@@](CC[NH2+]C(C)(C)C)(c2ccccc2)C1=O ZINC000002006986 571174273 /nfs/dbraw/zinc/17/42/73/571174273.db2.gz GMOWDNZRRJEKQQ-JOCHJYFZSA-N 1 0 351.494 3.574 50 0 FHAARO Cc1cc(N[C@H](C)c2nc(C3CC3)no2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190796778 571174678 /nfs/dbraw/zinc/17/46/78/571174678.db2.gz DDHCKUBZXXCUTJ-MRXNPFEDSA-N 1 0 369.513 3.959 50 0 FHAARO CCNC(=O)CC[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072154339 571174759 /nfs/dbraw/zinc/17/47/59/571174759.db2.gz ILVDOUXBPABZTA-OAHLLOKOSA-N 1 0 356.432 3.876 50 0 FHAARO CCn1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000072158629 571175312 /nfs/dbraw/zinc/17/53/12/571175312.db2.gz IZGFMVDWDRVDSY-UHFFFAOYSA-N 1 0 360.505 3.810 50 0 FHAARO CCc1nc(C)sc1C[NH+]1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000072162437 571175924 /nfs/dbraw/zinc/17/59/24/571175924.db2.gz QUJSGRNAQQXQQV-UHFFFAOYSA-N 1 0 355.507 3.524 50 0 FHAARO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000035509772 571179582 /nfs/dbraw/zinc/17/95/82/571179582.db2.gz BVVVVPUIWXMKKQ-UHFFFAOYSA-N 1 0 372.469 3.580 50 0 FHAARO Cc1nc([C@@]2(O)CCC[NH2+]CC2)sc1CCOc1ccc(Cl)cc1 ZINC000072343618 571179699 /nfs/dbraw/zinc/17/96/99/571179699.db2.gz UNQKUKZBQQTPTL-GOSISDBHSA-N 1 0 366.914 3.688 50 0 FHAARO C[C@@H](OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000012550699 571179729 /nfs/dbraw/zinc/17/97/29/571179729.db2.gz XVFLPTFHXKTVFW-UTKZUKDTSA-N 1 0 374.912 3.601 50 0 FHAARO Cc1cccc(C)c1-n1nnnc1C1([NH2+]CCc2ccccc2)CCCC1 ZINC000035622512 571183752 /nfs/dbraw/zinc/18/37/52/571183752.db2.gz CPCCOMUMUDZLOZ-UHFFFAOYSA-N 1 0 361.493 3.881 50 0 FHAARO Cc1cc2occ(CC(=O)N3CCC([NH+]4CCSCC4)CC3)c2c(C)c1 ZINC000299755147 571191875 /nfs/dbraw/zinc/19/18/75/571191875.db2.gz CPBZFEWEEYMSNJ-UHFFFAOYSA-N 1 0 372.534 3.632 50 0 FHAARO CC(C)[N@@H+]1CCN(Cc2ccc(OCc3ccccc3)cc2)C[C@H]1CCO ZINC000036385598 571192478 /nfs/dbraw/zinc/19/24/78/571192478.db2.gz JCLIVIBVRFANSX-JOCHJYFZSA-N 1 0 368.521 3.543 50 0 FHAARO CC(C)CC[N@@H+]1CCN(Cc2nc(-c3ccccc3)cs2)C[C@H]1CCO ZINC000036385574 571192530 /nfs/dbraw/zinc/19/25/30/571192530.db2.gz JIUKJZYANVENLE-LJQANCHMSA-N 1 0 373.566 3.725 50 0 FHAARO O=C(Cc1cccc(F)c1F)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000299758697 571192710 /nfs/dbraw/zinc/19/27/10/571192710.db2.gz MDRYUVCDBVEASG-UHFFFAOYSA-N 1 0 358.432 3.503 50 0 FHAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)Cc2ccccc2)C1 ZINC000072432395 571195658 /nfs/dbraw/zinc/19/56/58/571195658.db2.gz SFQZMNMBCLCAEG-LJQANCHMSA-N 1 0 359.473 3.962 50 0 FHAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cccc(-c2ccccn2)c1 ZINC000299776108 571196820 /nfs/dbraw/zinc/19/68/20/571196820.db2.gz KJTJVDFVGDIEQF-SFHVURJKSA-N 1 0 371.484 3.925 50 0 FHAARO O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000299777001 571196989 /nfs/dbraw/zinc/19/69/89/571196989.db2.gz GRIKWLNREHMFNK-HNNXBMFYSA-N 1 0 354.416 3.629 50 0 FHAARO CCCc1cc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n2nccc2n1 ZINC000072447638 571197040 /nfs/dbraw/zinc/19/70/40/571197040.db2.gz LKGRSVRMXACRPU-LJQANCHMSA-N 1 0 363.509 3.640 50 0 FHAARO O=C(NCc1ccc(F)cc1F)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299779354 571197596 /nfs/dbraw/zinc/19/75/96/571197596.db2.gz FGGPXAGWDZDRJE-SXLOBPIMSA-N 1 0 356.416 3.807 50 0 FHAARO Cc1ccc(C(=O)NC(C)(C)Cc2ccc(F)cc2)c(OCCC[NH3+])c1 ZINC000299779286 571197647 /nfs/dbraw/zinc/19/76/47/571197647.db2.gz SWZDMXUQTGBNRE-UHFFFAOYSA-N 1 0 358.457 3.613 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cnc(-c4ccccc4C)s3)[C@H]1C[C@@H](O)CC2 ZINC000299779341 571197727 /nfs/dbraw/zinc/19/77/27/571197727.db2.gz FDJXYHNNBRBTMR-ZAAXVRCTSA-N 1 0 358.507 3.623 50 0 FHAARO C[C@@H](NC(=O)c1ccc(Cl)cc1OCCC[NH3+])c1ccc(F)cc1F ZINC000299785588 571199255 /nfs/dbraw/zinc/19/92/55/571199255.db2.gz KSBCIXNCQKERTO-LLVKDONJSA-N 1 0 368.811 3.837 50 0 FHAARO Cc1cc2c([nH]c(CN(C)Cc3cccc4ncccc34)nc2=O)s1 ZINC000299792932 571201399 /nfs/dbraw/zinc/20/13/99/571201399.db2.gz GFRDDYFDWICUQR-UHFFFAOYSA-N 1 0 350.447 3.886 50 0 FHAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(-c3ccc(C(F)(F)F)cn3)c2)C1 ZINC000299797278 571202524 /nfs/dbraw/zinc/20/25/24/571202524.db2.gz POHHCKLUIKZQCP-MRXNPFEDSA-N 1 0 363.383 3.544 50 0 FHAARO CC[C@H](c1ccc(OC)c(OC)c1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000097102137 571204314 /nfs/dbraw/zinc/20/43/14/571204314.db2.gz BRCDZTCBXFBEBZ-LJQANCHMSA-N 1 0 374.525 3.879 50 0 FHAARO Oc1cccc(CC[C@H]2CCCC[N@@H+]2Cc2nc(-c3ccccn3)no2)c1 ZINC000076961885 571205775 /nfs/dbraw/zinc/20/57/75/571205775.db2.gz DQGHERYSIPJBQK-QGZVFWFLSA-N 1 0 364.449 3.825 50 0 FHAARO c1ccc(OCCC[N@@H+]2CCC[C@H]2c2nc(-c3ccccn3)no2)cc1 ZINC000077286699 571206282 /nfs/dbraw/zinc/20/62/82/571206282.db2.gz YFABOBRETJWPIS-SFHVURJKSA-N 1 0 350.422 3.738 50 0 FHAARO CN(CCC[NH+]1CCCC1)C(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000534644756 571206332 /nfs/dbraw/zinc/20/63/32/571206332.db2.gz JXNSWTVWISIWPH-IBGZPJMESA-N 1 0 357.523 3.965 50 0 FHAARO Fc1cccc(-n2cc(C[N@@H+]3CCCC[C@@H]3CCn3ccnc3)cn2)c1 ZINC000077299534 571206822 /nfs/dbraw/zinc/20/68/22/571206822.db2.gz YRPYMLSXGIQGPN-LJQANCHMSA-N 1 0 353.445 3.653 50 0 FHAARO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1ccc(O)cc1 ZINC000534639402 571207313 /nfs/dbraw/zinc/20/73/13/571207313.db2.gz GOAGKLSTKKSOGV-FQEVSTJZSA-N 1 0 355.482 3.617 50 0 FHAARO O=C1CCCN1CC[C@H]1CCCC[N@@H+]1Cc1cnc(C2CCCCC2)nc1 ZINC000077344079 571208430 /nfs/dbraw/zinc/20/84/30/571208430.db2.gz LYVBHLZEUQJJEU-HXUWFJFHSA-N 1 0 370.541 3.891 50 0 FHAARO CCn1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cn1 ZINC000077376658 571209312 /nfs/dbraw/zinc/20/93/12/571209312.db2.gz RWVKXMFKOJUDFC-QGZVFWFLSA-N 1 0 353.445 3.812 50 0 FHAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1cnc(N2CCCC2)s1 ZINC000077408131 571210771 /nfs/dbraw/zinc/21/07/71/571210771.db2.gz UUFRBPTYABMHGI-QGZVFWFLSA-N 1 0 359.543 3.693 50 0 FHAARO C[C@@H](C(=O)N(C)Cc1cccc2cnccc21)[N@@H+]1CCc2ccccc2C1 ZINC000077458758 571212226 /nfs/dbraw/zinc/21/22/26/571212226.db2.gz YOALMHSVVZZWBF-KRWDZBQOSA-N 1 0 359.473 3.640 50 0 FHAARO Cn1c(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc2ccccc21 ZINC000077485539 571213168 /nfs/dbraw/zinc/21/31/68/571213168.db2.gz YRQRVFBWVNRMFV-JOCHJYFZSA-N 1 0 351.494 3.545 50 0 FHAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](CC2CCCC2)CC3)c1 ZINC000077524586 571214835 /nfs/dbraw/zinc/21/48/35/571214835.db2.gz BYOICCPFARHDAR-UHFFFAOYSA-N 1 0 356.510 3.700 50 0 FHAARO COc1ccc(Cl)cc1-c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C2)cc1 ZINC000426360060 571215038 /nfs/dbraw/zinc/21/50/38/571215038.db2.gz ZRMTUOIPYNMTMS-KRWDZBQOSA-N 1 0 358.869 3.792 50 0 FHAARO CC(C)CCC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077540803 571215029 /nfs/dbraw/zinc/21/50/29/571215029.db2.gz VBFVYNLOMRLOBD-JOCHJYFZSA-N 1 0 357.542 3.765 50 0 FHAARO Fc1ccc(-c2csc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)n2)cc1 ZINC000082137634 571229025 /nfs/dbraw/zinc/22/90/25/571229025.db2.gz WGIVZQYNRSVAAT-INIZCTEOSA-N 1 0 362.470 3.767 50 0 FHAARO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3nc4ccccc4[nH]3)cc1)C2 ZINC000426508144 571229060 /nfs/dbraw/zinc/22/90/60/571229060.db2.gz UJRINCAVRNAEPK-HSZRJFAPSA-N 1 0 374.488 3.788 50 0 FHAARO Cc1ccc(OCC[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)c(C)c1 ZINC000082137342 571229113 /nfs/dbraw/zinc/22/91/13/571229113.db2.gz WMPVPCWUFYCAOY-UHFFFAOYSA-N 1 0 365.477 3.581 50 0 FHAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)NCCC[N@H+](C)C1CCCC1 ZINC000426546040 571231234 /nfs/dbraw/zinc/23/12/34/571231234.db2.gz BUBQAMHOHNUCTI-UHFFFAOYSA-N 1 0 360.477 3.713 50 0 FHAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000426584100 571232481 /nfs/dbraw/zinc/23/24/81/571232481.db2.gz SKUBGWWHGMXPCW-LBPRGKRZSA-N 1 0 356.297 3.762 50 0 FHAARO Cc1ccc(C(=O)c2ccccc2C[NH+]2CCC3(CC2)OCCO3)cc1C ZINC000085651575 571233933 /nfs/dbraw/zinc/23/39/33/571233933.db2.gz ITEJEHBFGWBFIH-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3cc(F)ccc3C(C)=O)cc2)C1 ZINC000426712852 571236232 /nfs/dbraw/zinc/23/62/32/571236232.db2.gz XOWVHBZPOFWCEJ-INIZCTEOSA-N 1 0 368.452 3.767 50 0 FHAARO Cn1cc(CN(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)C2CC2)cn1 ZINC000426727374 571236671 /nfs/dbraw/zinc/23/66/71/571236671.db2.gz HAIYUQHJEUUJIU-UHFFFAOYSA-N 1 0 366.509 3.601 50 0 FHAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccc(Cl)c1)C2 ZINC000091593809 571241111 /nfs/dbraw/zinc/24/11/11/571241111.db2.gz WIQGFGNGPXZIIC-MAUKXSAKSA-N 1 0 373.884 3.681 50 0 FHAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1N1CCCC1)C2 ZINC000091636280 571241620 /nfs/dbraw/zinc/24/16/20/571241620.db2.gz IIRCWJYMOBMPPD-WOJBJXKFSA-N 1 0 367.537 3.789 50 0 FHAARO O=C1CCC2(CC[NH+](CCOc3ccc(Cl)cc3)CC2)CN1C1CC1 ZINC000091651404 571241846 /nfs/dbraw/zinc/24/18/46/571241846.db2.gz BALQSKXGAVBHML-UHFFFAOYSA-N 1 0 362.901 3.586 50 0 FHAARO C[NH+](C)CCN(C(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 ZINC000091695600 571242582 /nfs/dbraw/zinc/24/25/82/571242582.db2.gz KPZVXKUQBAEFQM-UHFFFAOYSA-N 1 0 371.790 3.962 50 0 FHAARO CC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000169681705 571247174 /nfs/dbraw/zinc/24/71/74/571247174.db2.gz ZNMWFMRGPAPBGG-GHTZIAJQSA-N 1 0 357.494 3.873 50 0 FHAARO Cn1cc(-c2ccccc2)cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000065170687 571255594 /nfs/dbraw/zinc/25/55/94/571255594.db2.gz CYGNYOGEXCBCRZ-UHFFFAOYSA-N 1 0 351.494 3.783 50 0 FHAARO CCc1nnc(-c2nnc(NCCC[NH+]3CCCCC3)c3ccccc32)o1 ZINC000065258209 571258045 /nfs/dbraw/zinc/25/80/45/571258045.db2.gz DEWATWWGFCVYJB-UHFFFAOYSA-N 1 0 366.469 3.530 50 0 FHAARO CCOC(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000524730630 571258562 /nfs/dbraw/zinc/25/85/62/571258562.db2.gz QDWHWZNIGMLTCT-PKOBYXMFSA-N 1 0 373.497 3.592 50 0 FHAARO CCCn1c2ncccc2nc1[C@H]1CC[N@H+](Cc2ccccc2OC)C1 ZINC000065285371 571260048 /nfs/dbraw/zinc/26/00/48/571260048.db2.gz LWGALZDYWFOLET-KRWDZBQOSA-N 1 0 350.466 3.839 50 0 FHAARO c1cc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)c2c(c1)OCCCO2 ZINC000065611079 571265457 /nfs/dbraw/zinc/26/54/57/571265457.db2.gz YIJHXPSNTNZPRV-UHFFFAOYSA-N 1 0 353.466 3.523 50 0 FHAARO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)cc1F ZINC000065622522 571265617 /nfs/dbraw/zinc/26/56/17/571265617.db2.gz AIXYMAULJZSBFX-NRFANRHFSA-N 1 0 352.453 3.970 50 0 FHAARO O=C1[C@@H]([NH2+]C2CC(c3ccccc3F)C2)CCCN1c1ccccc1F ZINC000170591138 571266101 /nfs/dbraw/zinc/26/61/01/571266101.db2.gz UVJHUAUKUVQPIY-ZOJXTTQQSA-N 1 0 356.416 3.996 50 0 FHAARO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccc2c(c1)OCO2 ZINC000089807621 571273430 /nfs/dbraw/zinc/27/34/30/571273430.db2.gz KMDSJCDETRZXHK-KRWDZBQOSA-N 1 0 359.470 3.582 50 0 FHAARO COc1cc(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)ccc1C ZINC000252503329 571281370 /nfs/dbraw/zinc/28/13/70/571281370.db2.gz VBGFNNBKENAFIF-UHFFFAOYSA-N 1 0 361.445 3.941 50 0 FHAARO CC[NH+](CC)CCc1ccc(NC(=O)N2CCOC3(CCCC3)C2)cc1 ZINC000252508780 571281468 /nfs/dbraw/zinc/28/14/68/571281468.db2.gz XTFMOCQCWRWITJ-UHFFFAOYSA-N 1 0 359.514 3.748 50 0 FHAARO CS[C@@H]1CN(Cc2cc(F)ccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000252511347 571281560 /nfs/dbraw/zinc/28/15/60/571281560.db2.gz FOYRNYWBYRZHIU-HZPDHXFCSA-N 1 0 373.335 3.600 50 0 FHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1cn(C)c2ccccc12 ZINC000253414429 571312406 /nfs/dbraw/zinc/31/24/06/571312406.db2.gz XMAZFILPXNXLMX-PZJWPPBQSA-N 1 0 367.537 3.834 50 0 FHAARO CN(C(=O)c1ccc(-c2cn(C)nc2-c2ccccc2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000584895257 571315178 /nfs/dbraw/zinc/31/51/78/571315178.db2.gz GECKVMAGTDQVCC-FQEVSTJZSA-N 1 0 374.488 3.530 50 0 FHAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1SC(F)F ZINC000078800967 571326349 /nfs/dbraw/zinc/32/63/49/571326349.db2.gz OOYDPWODJMFNDX-ZDUSSCGKSA-N 1 0 373.469 3.576 50 0 FHAARO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000079074976 571326874 /nfs/dbraw/zinc/32/68/74/571326874.db2.gz SAUACCONPZROTA-UHFFFAOYSA-N 1 0 373.449 3.585 50 0 FHAARO C[C@@H]1C[C@@H](NC(=O)COc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000095408971 571329366 /nfs/dbraw/zinc/32/93/66/571329366.db2.gz KCGKQJKCNOZBBR-APWZRJJASA-N 1 0 372.896 3.888 50 0 FHAARO COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2CO)ccc1OCC(F)(F)F ZINC000095410525 571329384 /nfs/dbraw/zinc/32/93/84/571329384.db2.gz HAACALIOSSHJNM-CABCVRRESA-N 1 0 361.404 3.667 50 0 FHAARO Cc1cc2oc(=O)cc(CN3CC[NH+](Cc4ccccc4)CC3)c2cc1C ZINC000020478904 571329817 /nfs/dbraw/zinc/32/98/17/571329817.db2.gz KPHBAIFHPOWNHV-UHFFFAOYSA-N 1 0 362.473 3.728 50 0 FHAARO CC(C)CNC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000095455997 571330083 /nfs/dbraw/zinc/33/00/83/571330083.db2.gz LSVJXTHFJQWFKA-KRWDZBQOSA-N 1 0 364.493 3.791 50 0 FHAARO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cc(F)c(F)cc1F ZINC000095463359 571330312 /nfs/dbraw/zinc/33/03/12/571330312.db2.gz SMUOVCWKMJTHJN-LBPRGKRZSA-N 1 0 351.372 3.746 50 0 FHAARO CCC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756579 571331708 /nfs/dbraw/zinc/33/17/08/571331708.db2.gz MCPXRMSANKDTNK-PKTZIBPZSA-N 1 0 369.505 3.799 50 0 FHAARO CN(C)[C@@H](C[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000095973663 571333287 /nfs/dbraw/zinc/33/32/87/571333287.db2.gz LAWVWEDFYSLMIW-PMACEKPBSA-N 1 0 368.525 3.839 50 0 FHAARO CC[C@H](C)[NH+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)[C@@H](C)CC ZINC000095996021 571333649 /nfs/dbraw/zinc/33/36/49/571333649.db2.gz KMCKFRVZEATJEA-HRCADAONSA-N 1 0 350.503 3.780 50 0 FHAARO CCCSc1ccccc1N1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000096026934 571334097 /nfs/dbraw/zinc/33/40/97/571334097.db2.gz WPKYHAKHCRBSMH-HXUWFJFHSA-N 1 0 370.562 3.914 50 0 FHAARO O=C1CCCc2c(OC[C@H](O)C[NH2+]C34CC5CC(CC(C5)C3)C4)cccc21 ZINC000096028131 571334157 /nfs/dbraw/zinc/33/41/57/571334157.db2.gz YOFMLMWFQNWIRR-QCYTXABWSA-N 1 0 369.505 3.504 50 0 FHAARO CCOc1ccccc1NC(=O)OC[C@@]1(c2ccccc2)CC[N@H+](C)C1 ZINC000096027382 571334183 /nfs/dbraw/zinc/33/41/83/571334183.db2.gz HKVLIDGXJDGOIC-OAQYLSRUSA-N 1 0 354.450 3.907 50 0 FHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)noc1-c1ccc(OC)cc1 ZINC000022348618 571336653 /nfs/dbraw/zinc/33/66/53/571336653.db2.gz SKEABRGZOZTFIT-HNNXBMFYSA-N 1 0 373.497 3.899 50 0 FHAARO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000028727196 571340664 /nfs/dbraw/zinc/34/06/64/571340664.db2.gz ZAGGAWZTXSFMAY-LBPRGKRZSA-N 1 0 372.412 3.546 50 0 FHAARO O=C(/C=C\c1ccc(Cl)cc1)OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000226761531 571342292 /nfs/dbraw/zinc/34/22/92/571342292.db2.gz PHKSYIGBILJVSP-NHHWLVAYSA-N 1 0 371.864 3.797 50 0 FHAARO COCc1c2ccccc2oc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000029836263 571343430 /nfs/dbraw/zinc/34/34/30/571343430.db2.gz BBDJABXUMBDJBS-GOSISDBHSA-N 1 0 370.424 3.751 50 0 FHAARO Cn1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2c1cccc2Cl ZINC000504401805 571347264 /nfs/dbraw/zinc/34/72/64/571347264.db2.gz VYEVFIWPVHADNM-YOEHRIQHSA-N 1 0 359.901 3.826 50 0 FHAARO Cc1csc2nc(C)nc(NC3CC[NH+](Cc4ccccn4)CC3)c12 ZINC000121733944 935051102 /nfs/dbraw/zinc/05/11/02/935051102.db2.gz FZMXJVHBEGUXRE-UHFFFAOYSA-N 1 0 353.495 3.780 50 0 FHAARO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657923406 939007496 /nfs/dbraw/zinc/00/74/96/939007496.db2.gz UGIQSDONIOUCNF-CZANMRCUSA-N 1 0 371.431 3.827 50 0 FHAARO COc1ccc(-c2cc(=O)[nH]c(-c3ccc(C[N@H+](C)C(C)C)cc3)n2)cc1 ZINC000023380228 940303776 /nfs/dbraw/zinc/30/37/76/940303776.db2.gz ZQRNFGIUYGFURH-UHFFFAOYSA-N 1 0 363.461 3.953 50 0 FHAARO c1[nH]c2ccccc2c1C[NH+]1CCC(n2cc(-c3ccccn3)nn2)CC1 ZINC000023380425 940305275 /nfs/dbraw/zinc/30/52/75/940305275.db2.gz RPGDZFBZJYKXCR-UHFFFAOYSA-N 1 0 358.449 3.659 50 0 FHAARO C[N@H+](CCc1ccccn1)Cc1ccc(-c2nc(C(F)F)cc(=O)[nH]2)cc1 ZINC000023478485 940457820 /nfs/dbraw/zinc/45/78/20/940457820.db2.gz UXWQZJLOHSXKSQ-UHFFFAOYSA-N 1 0 370.403 3.856 50 0 FHAARO c1cc(C[N@H+]2CCC[C@H](c3nc(CCOCC4CCCC4)no3)C2)ccn1 ZINC000581822218 940624118 /nfs/dbraw/zinc/62/41/18/940624118.db2.gz SCDNZJBDMMLJQA-IBGZPJMESA-N 1 0 370.497 3.594 50 0 FHAARO COCCO[C@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)C12CCCCC2 ZINC000257177215 942490573 /nfs/dbraw/zinc/49/05/73/942490573.db2.gz DMLBDJXONDLHFF-QFIPXVFZSA-N 1 0 372.553 3.701 50 0 FHAARO O=C(c1cccs1)N1CCC2(CC1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000257188995 942635750 /nfs/dbraw/zinc/63/57/50/942635750.db2.gz NIISVJSGFUSSLF-UHFFFAOYSA-N 1 0 351.475 3.507 50 0 FHAARO CCCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1CC[NH2+]C1 ZINC000178902268 942823207 /nfs/dbraw/zinc/82/32/07/942823207.db2.gz VWNLGWYXUSQEIG-MRXNPFEDSA-N 1 0 361.873 3.528 50 0 FHAARO CCn1cc(C[N@@H+]2CCC[C@@H]2CCc2noc(-c3ccccc3)n2)c(C)n1 ZINC000675019845 943630291 /nfs/dbraw/zinc/63/02/91/943630291.db2.gz KLACKQQFYDVYBU-LJQANCHMSA-N 1 0 365.481 3.859 50 0 FHAARO CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000297246118 944329318 /nfs/dbraw/zinc/32/93/18/944329318.db2.gz WVVRVJSTCUNQTB-FQEVSTJZSA-N 1 0 371.485 3.674 50 0 FHAARO CC(C)n1cc(CN(CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000014951768 948007871 /nfs/dbraw/zinc/00/78/71/948007871.db2.gz NOUOVKRNMOJDBR-OAQYLSRUSA-N 1 0 354.542 3.851 50 0 FHAARO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2sccc2C2OCCO2)n1 ZINC000888098022 948430148 /nfs/dbraw/zinc/43/01/48/948430148.db2.gz XOKLIOCBRAZZSX-UHFFFAOYSA-N 1 0 369.490 3.886 50 0 FHAARO COc1ccc(N(Cc2cccs2)C(=O)C[C@H]2CC[NH2+]C[C@@H]2F)cc1 ZINC000888101559 948444193 /nfs/dbraw/zinc/44/41/93/948444193.db2.gz INDAKBXFZRWNLH-KDOFPFPSSA-N 1 0 362.470 3.628 50 0 FHAARO CCc1nc(C)sc1C(=O)N(CC[NH+](C)C)Cc1ccc(C)s1 ZINC000299800794 529730379 /nfs/dbraw/zinc/73/03/79/529730379.db2.gz VPHAZPNKVOVMTH-UHFFFAOYSA-N 1 0 351.541 3.588 50 0 FHAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)cc1F ZINC000299790020 203772821 /nfs/dbraw/zinc/77/28/21/203772821.db2.gz AVWCSRLRELZVBE-SXLOBPIMSA-N 1 0 368.452 3.676 50 0 FHAARO CC(C)=CCC[C@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@]1(C)O ZINC000000969384 203967390 /nfs/dbraw/zinc/96/73/90/203967390.db2.gz ZRAJZIGAXJIFRY-VQTJNVASSA-N 1 0 352.519 3.961 50 0 FHAARO COc1ccc(CN2c3cccc[n+]3C[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000000787817 203950874 /nfs/dbraw/zinc/95/08/74/203950874.db2.gz HIVMWJZEACVTIW-NRFANRHFSA-N 1 0 367.856 3.502 50 0 FHAARO COc1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)cc1Br ZINC000002476747 204041517 /nfs/dbraw/zinc/04/15/17/204041517.db2.gz RQPOKEOUHNXSGS-UHFFFAOYSA-N 1 0 364.239 3.519 50 0 FHAARO CCCC[NH+]1CCC(CNC(=O)c2c3ccccc3n3c2OCCC3)CC1 ZINC000001537633 204012132 /nfs/dbraw/zinc/01/21/32/204012132.db2.gz KVCSJPATKXABRQ-UHFFFAOYSA-N 1 0 369.509 3.666 50 0 investigational FHAARO Cc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000002966202 204071339 /nfs/dbraw/zinc/07/13/39/204071339.db2.gz MKNPLIZXPBRWES-OAQYLSRUSA-N 1 0 373.423 3.857 50 0 FHAARO C[C@H](NC(=S)NCCc1ccccc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211447 204081739 /nfs/dbraw/zinc/08/17/39/204081739.db2.gz NRQMKRQAOPNFFE-QFBILLFUSA-N 1 0 373.591 3.980 50 0 FHAARO COc1ccc(N2c3cccc[n+]3C[C@]2(O)Cc2ccc(Cl)cc2)cc1 ZINC000003197282 204082260 /nfs/dbraw/zinc/08/22/60/204082260.db2.gz FWXCXYMAEJTHFO-OAQYLSRUSA-N 1 0 367.856 3.719 50 0 FHAARO Cc1ccc(-c2cc(C(=O)N3CCC[N@@H+](C)CC3)c3ccccc3n2)cc1 ZINC000003236415 204083064 /nfs/dbraw/zinc/08/30/64/204083064.db2.gz GPTALSCLHFVBBX-UHFFFAOYSA-N 1 0 359.473 3.988 50 0 FHAARO CC1(C)C(c2ccccc2)[N+](=O)[C@@H](c2ccc(Br)cc2)N1O ZINC000004189870 204127446 /nfs/dbraw/zinc/12/74/46/204127446.db2.gz BRIRUCHOQHCGLD-MRXNPFEDSA-N 1 0 361.239 3.931 50 0 FHAARO COc1ccc(C[NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000003386336 204096708 /nfs/dbraw/zinc/09/67/08/204096708.db2.gz NOZVUHHWECEONC-OAHLLOKOSA-N 1 0 364.445 3.974 50 0 FHAARO COc1cccc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)c1OC ZINC000004600045 204148999 /nfs/dbraw/zinc/14/89/99/204148999.db2.gz DXVKZHBUOZITBA-UHFFFAOYSA-N 1 0 374.525 3.755 50 0 FHAARO C[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)C1 ZINC000004436862 204138105 /nfs/dbraw/zinc/13/81/05/204138105.db2.gz ZPVUAOURUGLWNO-KKSFZXQISA-N 1 0 366.461 3.870 50 0 FHAARO CCn1c2ccccc2c2cc(C[NH2+]CCCN3CCOCC3)ccc21 ZINC000004413133 204138436 /nfs/dbraw/zinc/13/84/36/204138436.db2.gz GJXFDRBSVMOVST-UHFFFAOYSA-N 1 0 351.494 3.626 50 0 FHAARO CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)cc1 ZINC000004556444 204146836 /nfs/dbraw/zinc/14/68/36/204146836.db2.gz DMTWDZFBGCKDMW-QGZVFWFLSA-N 1 0 357.479 3.954 50 0 FHAARO Cc1ccc([C@@H](CC(=O)NCCC[NH+](C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000005348413 204204996 /nfs/dbraw/zinc/20/49/96/204204996.db2.gz KFXGNULOTVUHLH-VQTJNVASSA-N 1 0 360.542 3.742 50 0 FHAARO Cc1cc(=O)n(C[C@@H]2CC(c3ccc(N(C)C)cc3)=[NH+]O2)c2ccccc12 ZINC000005370497 204206048 /nfs/dbraw/zinc/20/60/48/204206048.db2.gz FAZYZOFOMMIOPK-SFHVURJKSA-N 1 0 361.445 3.569 50 0 FHAARO COc1ccc([C@H]2[C@@H](C[NH+]3CCCCC3)C(=O)N2c2ccccc2)cc1 ZINC000005527112 204212842 /nfs/dbraw/zinc/21/28/42/204212842.db2.gz YOZCZMWRFAHLNU-RTWAWAEBSA-N 1 0 350.462 3.885 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc3ccc(C)cc3nc2s1 ZINC000004885935 204172714 /nfs/dbraw/zinc/17/27/14/204172714.db2.gz XMCCBLGPGNRIMO-MRXNPFEDSA-N 1 0 353.491 3.972 50 0 FHAARO CC[NH+](CC)CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939325 204178032 /nfs/dbraw/zinc/17/80/32/204178032.db2.gz MBONSLFQXYMHJR-UHFFFAOYSA-N 1 0 372.490 3.778 50 0 FHAARO Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)oc2c1C(=O)CC(C)(C)C2 ZINC000005322421 204202063 /nfs/dbraw/zinc/20/20/63/204202063.db2.gz UWZFVKYIXRWQPK-UHFFFAOYSA-N 1 0 360.498 3.782 50 0 FHAARO O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006548245 204253277 /nfs/dbraw/zinc/25/32/77/204253277.db2.gz HZMMNEMIISOGTB-ZHACJKMWSA-N 1 0 369.490 3.792 50 0 FHAARO COc1cc(OC)cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000008193936 204321485 /nfs/dbraw/zinc/32/14/85/204321485.db2.gz PUOFSZXNWVYTDA-UHFFFAOYSA-N 1 0 360.498 3.622 50 0 FHAARO C[C@@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CCCC1 ZINC000008327461 204327292 /nfs/dbraw/zinc/32/72/92/204327292.db2.gz SSDJHXCDVCEQKR-QAPCUYQASA-N 1 0 367.518 3.962 50 0 FHAARO COc1cc(SC)ccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008406496 204330678 /nfs/dbraw/zinc/33/06/78/204330678.db2.gz MEKCIVASLGMCCF-UHFFFAOYSA-N 1 0 370.518 3.943 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000008869946 204347733 /nfs/dbraw/zinc/34/77/33/204347733.db2.gz PQIWCGNOOOQFKI-LJQANCHMSA-N 1 0 358.869 3.916 50 0 FHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc2ccccc2n1 ZINC000008983043 204349920 /nfs/dbraw/zinc/34/99/20/204349920.db2.gz SLJANTNMDZWMEC-AVRDEDQJSA-N 1 0 357.457 3.991 50 0 FHAARO Cc1sc2c(c1C)CSC(C(=O)NCC[NH+]1CCCCCC1)=C2 ZINC000009211365 204358357 /nfs/dbraw/zinc/35/83/57/204358357.db2.gz QOXZBYICXUOENE-UHFFFAOYSA-N 1 0 350.553 3.945 50 0 FHAARO COc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000036396105 204376937 /nfs/dbraw/zinc/37/69/37/204376937.db2.gz IHCMSLVZHLKVMD-GOSISDBHSA-N 1 0 366.505 3.786 50 0 FHAARO CC1(C)CNC(SCC(=O)NC(c2ccccc2)c2ccccc2)=[NH+]C1 ZINC000008745460 204342841 /nfs/dbraw/zinc/34/28/41/204342841.db2.gz OUIJVRUPITVCOK-UHFFFAOYSA-N 1 0 367.518 3.611 50 0 FHAARO CC(C)[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)cc1 ZINC000009749427 204382072 /nfs/dbraw/zinc/38/20/72/204382072.db2.gz AZKSOJMXLNKRQD-IBGZPJMESA-N 1 0 359.832 3.974 50 0 FHAARO CN(C)c1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000009932194 204386018 /nfs/dbraw/zinc/38/60/18/204386018.db2.gz ITAXYPLIYSSWNQ-UHFFFAOYSA-N 1 0 351.494 3.669 50 0 FHAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1ccccc1N1CCCC1=O ZINC000010090493 204389778 /nfs/dbraw/zinc/38/97/78/204389778.db2.gz QSJBYPKUGZIJTE-IBGZPJMESA-N 1 0 363.461 3.589 50 0 FHAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2cccnc2)CC1 ZINC000012305290 204448993 /nfs/dbraw/zinc/44/89/93/204448993.db2.gz XBVUHKZSTYJJHX-UHFFFAOYSA-N 1 0 352.478 3.860 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000012788222 204496211 /nfs/dbraw/zinc/49/62/11/204496211.db2.gz GVLALLGPTVTQIY-UHFFFAOYSA-N 1 0 368.506 3.672 50 0 FHAARO O=C(CCC1CC[NH+](C[C@H]2CCOC2)CC1)Nc1ccccc1Cl ZINC000015063561 204600646 /nfs/dbraw/zinc/60/06/46/204600646.db2.gz FRHGMIMRBOKDBQ-MRXNPFEDSA-N 1 0 350.890 3.807 50 0 FHAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)CN1Cc1ccccc1 ZINC000023359073 204803414 /nfs/dbraw/zinc/80/34/14/204803414.db2.gz YZFKNVMQKIQMFB-YADHBBJMSA-N 1 0 371.569 3.857 50 0 FHAARO CC1CC[NH+](CCCNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 ZINC000028066497 204874653 /nfs/dbraw/zinc/87/46/53/204874653.db2.gz PYRXHLZZTYTWJN-UHFFFAOYSA-N 1 0 353.510 3.899 50 0 FHAARO C[N@@H+]1CCCC[C@@H]1CCSc1ncnc2c1cnn2-c1ccccc1 ZINC000032911211 204945545 /nfs/dbraw/zinc/94/55/45/204945545.db2.gz WRMAKVHCEDVIRT-OAHLLOKOSA-N 1 0 353.495 3.782 50 0 FHAARO COc1ccccc1C[N@H+](CCC(C)C)C[C@H](O)COCc1ccco1 ZINC000036096211 205002948 /nfs/dbraw/zinc/00/29/48/205002948.db2.gz JHRKYJRWKOBOQP-IBGZPJMESA-N 1 0 361.482 3.714 50 0 FHAARO COc1ccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccccc2C)cc1 ZINC000036095175 205003221 /nfs/dbraw/zinc/00/32/21/205003221.db2.gz KVEWRUOBTYHYFA-FQEVSTJZSA-N 1 0 357.494 3.902 50 0 FHAARO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)C)c1 ZINC000036098518 205003773 /nfs/dbraw/zinc/00/37/73/205003773.db2.gz UHNGJLQBUNGHCR-HXUWFJFHSA-N 1 0 361.457 3.622 50 0 FHAARO COc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036095163 205004148 /nfs/dbraw/zinc/00/41/48/205004148.db2.gz JXVZNAIBSIOLKI-OAQYLSRUSA-N 1 0 357.494 3.731 50 0 FHAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036099541 205004905 /nfs/dbraw/zinc/00/49/05/205004905.db2.gz MXDKJYYDVQPVBE-GOSISDBHSA-N 1 0 365.470 3.594 50 0 FHAARO COc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc(C)c2)CC(C)C)cc1 ZINC000036100402 205005265 /nfs/dbraw/zinc/00/52/65/205005265.db2.gz MLIGSCXSWVPUNG-HXUWFJFHSA-N 1 0 357.494 3.902 50 0 FHAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(F)cc2F)C(C)C)cc1 ZINC000036104136 205005380 /nfs/dbraw/zinc/00/53/80/205005380.db2.gz KRISNQLOWVLBQE-KRWDZBQOSA-N 1 0 365.420 3.624 50 0 FHAARO CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145856 205006632 /nfs/dbraw/zinc/00/66/32/205006632.db2.gz XZLQKQCDIHCOQB-SFTDATJTSA-N 1 0 370.468 3.982 50 0 FHAARO Cn1cc([C@@H](CNC(=O)/C=C/c2ccsc2)[NH+](C)C)c2ccccc21 ZINC000075149192 205034569 /nfs/dbraw/zinc/03/45/69/205034569.db2.gz PQYZMRPOMOSJTF-CSHXORCISA-N 1 0 353.491 3.672 50 0 FHAARO CN(Cc1csc(-c2cccs2)n1)c1cc([C@@H]2CCC[NH2+]C2)ncn1 ZINC000039388127 205044831 /nfs/dbraw/zinc/04/48/31/205044831.db2.gz YOAWMBMBCWHXQQ-CYBMUJFWSA-N 1 0 371.535 3.765 50 0 FHAARO C[NH+](C)Cc1cccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000040081395 205053394 /nfs/dbraw/zinc/05/33/94/205053394.db2.gz WIPPXYSLJYNDOO-UHFFFAOYSA-N 1 0 351.277 3.914 50 0 FHAARO COCCOc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000040091417 205054354 /nfs/dbraw/zinc/05/43/54/205054354.db2.gz HNRCIVKTOYYTMT-UHFFFAOYSA-N 1 0 355.413 3.531 50 0 FHAARO CCOc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccc(F)cc1Cl ZINC000040744006 205080657 /nfs/dbraw/zinc/08/06/57/205080657.db2.gz RCNQRQNDTJKTBL-ZDUSSCGKSA-N 1 0 367.848 3.927 50 0 FHAARO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc[nH]c1=S ZINC000041400051 205090069 /nfs/dbraw/zinc/09/00/69/205090069.db2.gz OKGDXRYSUIFVEG-INIZCTEOSA-N 1 0 361.898 3.591 50 0 FHAARO Cc1ccccc1OC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044852541 205113865 /nfs/dbraw/zinc/11/38/65/205113865.db2.gz XUYDBJMAORVZND-LJQANCHMSA-N 1 0 366.505 3.791 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000045463063 205122612 /nfs/dbraw/zinc/12/26/12/205122612.db2.gz URTNURMXQDWNFW-KRWDZBQOSA-N 1 0 361.530 3.954 50 0 FHAARO COC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000048345250 205159127 /nfs/dbraw/zinc/15/91/27/205159127.db2.gz YAIMLXDHQYWGET-UHFFFAOYSA-N 1 0 369.465 3.635 50 0 FHAARO CC1CC[NH+](CCCCNC(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000048148997 205151775 /nfs/dbraw/zinc/15/17/75/205151775.db2.gz DNENVFFXXYZSLE-UHFFFAOYSA-N 1 0 355.486 3.506 50 0 FHAARO CCc1nnsc1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048354730 205160265 /nfs/dbraw/zinc/16/02/65/205160265.db2.gz FNXYIYYADVTGJA-HUUCEWRRSA-N 1 0 372.538 3.508 50 0 FHAARO CCOCc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000048711409 205165392 /nfs/dbraw/zinc/16/53/92/205165392.db2.gz NQLRKQYJEQODCY-UHFFFAOYSA-N 1 0 365.433 3.632 50 0 FHAARO C[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000052588689 205185592 /nfs/dbraw/zinc/18/55/92/205185592.db2.gz OJLHVKSRFMJPSC-ZDUSSCGKSA-N 1 0 356.297 3.762 50 0 FHAARO CC(C)(C)OC(=O)NC1CC[NH+](CCCc2nc3ccccc3o2)CC1 ZINC000054809385 205203959 /nfs/dbraw/zinc/20/39/59/205203959.db2.gz RELAVEKJUHWAAM-UHFFFAOYSA-N 1 0 359.470 3.750 50 0 FHAARO CC(=O)OCc1c(C)cc(C)c(C[NH2+]Cc2cncn2CC(C)C)c1C ZINC000055041962 205204511 /nfs/dbraw/zinc/20/45/11/205204511.db2.gz AEQMOSQGHBWCTI-UHFFFAOYSA-N 1 0 357.498 3.817 50 0 FHAARO Cc1cc(C(=O)Nc2ccc(NC(=O)[C@H](C)C[N@@H+](C)C(C)C)cc2)co1 ZINC000055054371 205205527 /nfs/dbraw/zinc/20/55/27/205205527.db2.gz SKGDNUSAMVGYHH-CQSZACIVSA-N 1 0 357.454 3.755 50 0 FHAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)cc1CO ZINC000055120048 205208191 /nfs/dbraw/zinc/20/81/91/205208191.db2.gz AWCGPEDTEDLXGN-HXUWFJFHSA-N 1 0 355.478 3.880 50 0 FHAARO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2c[nH]cn2)cc1 ZINC000055119388 205208777 /nfs/dbraw/zinc/20/87/77/205208777.db2.gz FFEVJBIAGLGRSS-UHFFFAOYSA-N 1 0 361.424 3.734 50 0 FHAARO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](C3CSCCSC3)C2)c(C)c1 ZINC000055182434 205210355 /nfs/dbraw/zinc/21/03/55/205210355.db2.gz DCAKBHFKBVUUKW-OAHLLOKOSA-N 1 0 365.564 3.747 50 0 FHAARO CCc1ccc(C[NH+]2CCC(Cc3nncn3-c3ccccc3)CC2)nc1 ZINC000055226089 205210904 /nfs/dbraw/zinc/21/09/04/205210904.db2.gz CUVQMZTVJHAGRA-UHFFFAOYSA-N 1 0 361.493 3.679 50 0 FHAARO Fc1cccc(N[C@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)c1 ZINC000055243157 205211841 /nfs/dbraw/zinc/21/18/41/205211841.db2.gz ZRMYVGCTFKWYIL-KRWDZBQOSA-N 1 0 360.502 3.959 50 0 FHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2cccc(C)n2)C1 ZINC000055270573 205212451 /nfs/dbraw/zinc/21/24/51/205212451.db2.gz GBICBKSTNMWILN-HXUWFJFHSA-N 1 0 367.537 3.785 50 0 FHAARO CC(C)(CN1CCOCC1)C[N@H+](Cc1ccncc1)Cc1ccc(F)cc1 ZINC000055253549 205212654 /nfs/dbraw/zinc/21/26/54/205212654.db2.gz BTCBRWSOMXGZNR-UHFFFAOYSA-N 1 0 371.500 3.581 50 0 FHAARO Cc1cccc(-c2ncc(C[NH2+]C[C@H](O)c3ccccc3Cl)cn2)c1 ZINC000055255060 205213739 /nfs/dbraw/zinc/21/37/39/205213739.db2.gz WUARSRAQRSNFBO-IBGZPJMESA-N 1 0 353.853 3.929 50 0 FHAARO CCOc1ccccc1C[N@H+](CCn1c2ccccc2oc1=O)C1CC1 ZINC000055325532 205214246 /nfs/dbraw/zinc/21/42/46/205214246.db2.gz SZQHXRBFKIUVAF-UHFFFAOYSA-N 1 0 352.434 3.658 50 0 FHAARO CSc1ccc(-c2noc(CN3CCC([NH+]4CCCCC4)CC3)n2)cc1 ZINC000057427609 205239982 /nfs/dbraw/zinc/23/99/82/205239982.db2.gz BXAQELUHHPVJJV-UHFFFAOYSA-N 1 0 372.538 3.909 50 0 FHAARO Cn1c2ccccc2cc(C[N@H+](C)CCCOc2ccc(F)cc2)c1=O ZINC000055386534 205217579 /nfs/dbraw/zinc/21/75/79/205217579.db2.gz JEJOCRAHFAYIGJ-UHFFFAOYSA-N 1 0 354.425 3.579 50 0 FHAARO Cc1ccsc1CN(CC[NH+](C)C)Cc1cccc(Cn2cccn2)c1 ZINC000055413680 205219978 /nfs/dbraw/zinc/21/99/78/205219978.db2.gz HUHMSUVBTHNOJI-UHFFFAOYSA-N 1 0 368.550 3.865 50 0 FHAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000058163992 205252604 /nfs/dbraw/zinc/25/26/04/205252604.db2.gz OEAGEIRCDNKOPB-GFCCVEGCSA-N 1 0 350.365 3.586 50 0 FHAARO O[C@@H](C[NH2+]Cc1csc(-c2ccsc2)n1)c1ccc(F)c(F)c1 ZINC000058161359 205253164 /nfs/dbraw/zinc/25/31/64/205253164.db2.gz JWHHFNTYLMWINJ-HNNXBMFYSA-N 1 0 352.431 3.973 50 0 FHAARO C[NH+](C)CCn1cc(C(=O)NCC(C)(C)c2ccccc2)c2ccccc21 ZINC000058161081 205253189 /nfs/dbraw/zinc/25/31/89/205253189.db2.gz QFNRLAFDIMDKTF-UHFFFAOYSA-N 1 0 363.505 3.911 50 0 FHAARO O=C(CCC(=O)c1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058197198 205258273 /nfs/dbraw/zinc/25/82/73/205258273.db2.gz ZEGUEDUTVQLISN-KRWDZBQOSA-N 1 0 370.518 3.739 50 0 FHAARO Cn1ccnc1[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000058217813 205263890 /nfs/dbraw/zinc/26/38/90/205263890.db2.gz KKYAIEKTRKZKKB-OAQYLSRUSA-N 1 0 374.488 3.535 50 0 FHAARO CC(C)C[NH+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)CC(C)C ZINC000059421178 205281749 /nfs/dbraw/zinc/28/17/49/205281749.db2.gz OCFYRVIOLVURJY-UHFFFAOYSA-N 1 0 355.408 3.795 50 0 FHAARO COc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc3nccnc23)C1 ZINC000059955753 205282917 /nfs/dbraw/zinc/28/29/17/205282917.db2.gz LKQGIBLFOHNGLR-QGZVFWFLSA-N 1 0 361.445 3.733 50 0 FHAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[NH2+]C[C@@H](C)O ZINC000061011947 205285037 /nfs/dbraw/zinc/28/50/37/205285037.db2.gz SQQVONZWSBTJEN-SECBINFHSA-N 1 0 362.688 3.670 50 0 FHAARO O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@@H]1C=CC[NH2+]1 ZINC000063833776 205293869 /nfs/dbraw/zinc/29/38/69/205293869.db2.gz TYBXOEKLHZHNOH-RDELFYGPSA-N 1 0 357.413 3.577 50 0 FHAARO Fc1cc2cccnc2c(CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000064351665 205297954 /nfs/dbraw/zinc/29/79/54/205297954.db2.gz ZSQLHRNGYCHKOU-UHFFFAOYSA-N 1 0 355.482 3.796 50 0 FHAARO Cc1ccc(-c2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cs2)n1C ZINC000064676577 205302986 /nfs/dbraw/zinc/30/29/86/205302986.db2.gz OFIKCFYXZBZOTR-UHFFFAOYSA-N 1 0 372.538 3.548 50 0 FHAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)c2cccc(NC(C)=O)c2)o1 ZINC000058441042 205275730 /nfs/dbraw/zinc/27/57/30/205275730.db2.gz LBIQDUWHYOZXFM-CQSZACIVSA-N 1 0 357.454 3.571 50 0 FHAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)o1 ZINC000058441040 205275799 /nfs/dbraw/zinc/27/57/99/205275799.db2.gz LBIQDUWHYOZXFM-AWEZNQCLSA-N 1 0 357.454 3.571 50 0 FHAARO C[N@H+](CCCNC(=O)C1(c2cccc(F)c2)CCC1)Cc1ccccc1 ZINC000058612555 205277417 /nfs/dbraw/zinc/27/74/17/205277417.db2.gz GNVKHARSMDVWBE-UHFFFAOYSA-N 1 0 354.469 3.886 50 0 FHAARO O=C(CC[NH+]1CCC(c2cccc(O)c2)CC1)N1CCc2ccccc2C1 ZINC000065423963 205350416 /nfs/dbraw/zinc/35/04/16/205350416.db2.gz PFHGMJANOSPLFY-UHFFFAOYSA-N 1 0 364.489 3.547 50 0 FHAARO Cc1ccc(Cl)c(OCC[NH+]2CCC([C@@H](O)c3cccnc3)CC2)c1 ZINC000065456790 205351805 /nfs/dbraw/zinc/35/18/05/205351805.db2.gz JLBNXAZBXVYERE-HXUWFJFHSA-N 1 0 360.885 3.868 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)CCSc3ccccc3)cc2)CC1 ZINC000065362690 205337800 /nfs/dbraw/zinc/33/78/00/205337800.db2.gz WWINVFHTGGUSBV-UHFFFAOYSA-N 1 0 355.507 3.559 50 0 FHAARO C[NH+]1CCC(Oc2ccc(NC(=O)COc3cccc(Cl)c3)cc2)CC1 ZINC000065365288 205339867 /nfs/dbraw/zinc/33/98/67/205339867.db2.gz QAWPHNLKLJQPRI-UHFFFAOYSA-N 1 0 374.868 3.831 50 0 FHAARO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccccc4)c3)C2)n1 ZINC000065385571 205342891 /nfs/dbraw/zinc/34/28/91/205342891.db2.gz CCQKHTIIYAVLML-LJQANCHMSA-N 1 0 373.456 3.920 50 0 FHAARO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)Cc3ccccc3F)CC2)cc1 ZINC000065384361 205343201 /nfs/dbraw/zinc/34/32/01/205343201.db2.gz SICKPUSMGDORLV-QGZVFWFLSA-N 1 0 354.469 3.960 50 0 FHAARO Cn1nc(C2CC2)c2c1NC(=O)C[C@@H]2c1ccc(C[NH+]2CCCCC2)s1 ZINC000065418653 205348350 /nfs/dbraw/zinc/34/83/50/205348350.db2.gz ZWUAEMRYSVHJGK-OAHLLOKOSA-N 1 0 370.522 3.819 50 0 FHAARO Cc1nn(C)cc1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2C)c1 ZINC000067559377 205374926 /nfs/dbraw/zinc/37/49/26/205374926.db2.gz ZLYGIIYANSQPOM-UHFFFAOYSA-N 1 0 362.477 3.921 50 0 FHAARO [NH3+][C@@H](C(=O)NCc1cccnc1Oc1ccccc1F)C1CCCCC1 ZINC000067654461 205380503 /nfs/dbraw/zinc/38/05/03/205380503.db2.gz BXRRRWABVWOZDM-GOSISDBHSA-N 1 0 357.429 3.537 50 0 FHAARO COCCC[N@@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067676858 205381735 /nfs/dbraw/zinc/38/17/35/205381735.db2.gz HCSHFFQXJUNYPL-UHFFFAOYSA-N 1 0 361.489 3.985 50 0 FHAARO c1nn(C2Cc3ccccc3C2)cc1C1=CC[N@H+](CCc2ccccn2)CC1 ZINC000067714641 205386009 /nfs/dbraw/zinc/38/60/09/205386009.db2.gz ZJQNIWWQIVBUDX-UHFFFAOYSA-N 1 0 370.500 3.950 50 0 FHAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1ccc(-c2nc(C)no2)cn1 ZINC000067740321 205386996 /nfs/dbraw/zinc/38/69/96/205386996.db2.gz LESCHZSDWLHHJC-UHFFFAOYSA-N 1 0 366.421 3.837 50 0 FHAARO CC[NH+]1CCN(Cc2nc(-c3ccc(OC)c4ccccc34)oc2C)CC1 ZINC000067818103 205394086 /nfs/dbraw/zinc/39/40/86/205394086.db2.gz GZIJPKSUKMGCBI-UHFFFAOYSA-N 1 0 365.477 3.949 50 0 FHAARO CCn1cc(NC(=O)c2cccc(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)c2)nn1 ZINC000067790655 205392558 /nfs/dbraw/zinc/39/25/58/205392558.db2.gz XYDGZLGNWZWAML-HKUYNNGSSA-N 1 0 367.497 3.562 50 0 FHAARO CCOc1ccc2ccccc2c1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000071754384 205440741 /nfs/dbraw/zinc/44/07/41/205440741.db2.gz PQORGFNCHAZNAV-UHFFFAOYSA-N 1 0 352.478 3.825 50 0 FHAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072156618 205488041 /nfs/dbraw/zinc/48/80/41/205488041.db2.gz OPUUVRHWYRUPJN-AWEZNQCLSA-N 1 0 351.425 3.656 50 0 FHAARO Cc1c2cc(CNC(=O)[C@H]3CCC[NH2+]3)ccc2[nH]c1-c1ccccc1F ZINC000077376477 205592494 /nfs/dbraw/zinc/59/24/94/205592494.db2.gz AFFIVWPUAZADNA-LJQANCHMSA-N 1 0 351.425 3.651 50 0 FHAARO Cc1ccc2nc(C)cc(C(=O)N3CC[NH+](C4CCSCC4)CC3)c2c1 ZINC000077356873 205592858 /nfs/dbraw/zinc/59/28/58/205592858.db2.gz PPLHZXCUSNCGBX-UHFFFAOYSA-N 1 0 369.534 3.505 50 0 FHAARO C[C@@H](C1CCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)CC1)[NH+](C)C ZINC000091441499 205673841 /nfs/dbraw/zinc/67/38/41/205673841.db2.gz ASXBGJXOIKIAOQ-HNNXBMFYSA-N 1 0 363.933 3.743 50 0 FHAARO Oc1cccc([C@@H]2C[N@H+](Cc3cccc(F)c3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095383307 205746020 /nfs/dbraw/zinc/74/60/20/205746020.db2.gz WOYJAZIAYAJRQO-BHDDXSALSA-N 1 0 352.453 3.594 50 0 FHAARO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1ccnc3ccccc13)CC2 ZINC000095372343 205740798 /nfs/dbraw/zinc/74/07/98/205740798.db2.gz AIUQLLPKORDDSN-NRFANRHFSA-N 1 0 371.484 3.873 50 0 FHAARO Clc1ccc2nc(N3CCC([NH2+]C[C@H]4CCCOC4)CC3)sc2c1 ZINC000095509859 205775812 /nfs/dbraw/zinc/77/58/12/205775812.db2.gz GJSMFJRQJNCBIL-CYBMUJFWSA-N 1 0 365.930 3.935 50 0 FHAARO C[NH+]1CCC(CNc2nccc(-c3ccccn3)n2)(c2ccccc2)CC1 ZINC000096165012 205844081 /nfs/dbraw/zinc/84/40/81/205844081.db2.gz WKEFLUPLOGJQOS-UHFFFAOYSA-N 1 0 359.477 3.614 50 0 FHAARO COCc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)o1 ZINC000097327225 205905212 /nfs/dbraw/zinc/90/52/12/205905212.db2.gz ZLJRAWSHGKUJHO-INIZCTEOSA-N 1 0 356.466 3.730 50 0 FHAARO [NH3+][C@@H]1CCCN(C(=O)Nc2cccc(OCCCc3ccccc3)c2)C1 ZINC000097654040 205920893 /nfs/dbraw/zinc/92/08/93/205920893.db2.gz RXQSJNPCTHRUOL-GOSISDBHSA-N 1 0 353.466 3.653 50 0 FHAARO CCOc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000236970921 206014681 /nfs/dbraw/zinc/01/46/81/206014681.db2.gz PQBCKKDDIUPIKZ-KRWDZBQOSA-N 1 0 368.477 3.949 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(F)ccc1Br ZINC000046989774 206080416 /nfs/dbraw/zinc/08/04/16/206080416.db2.gz CFGZQYWWNQEZEE-CYBMUJFWSA-N 1 0 371.294 3.973 50 0 FHAARO CCOC(=O)/C=C/c1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000048065959 206083173 /nfs/dbraw/zinc/08/31/73/206083173.db2.gz PDDXODPZJWPFGG-FMIVXFBMSA-N 1 0 373.497 3.694 50 0 FHAARO CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000122538217 206112607 /nfs/dbraw/zinc/11/26/07/206112607.db2.gz CRBSTQVOVHEXLW-FUHWJXTLSA-N 1 0 355.482 3.923 50 0 FHAARO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(C)c1 ZINC000004315068 206173807 /nfs/dbraw/zinc/17/38/07/206173807.db2.gz FUJNJMOZGGGICE-UHFFFAOYSA-N 1 0 362.477 3.998 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004426616 206178190 /nfs/dbraw/zinc/17/81/90/206178190.db2.gz DMJLKSCNJVAFLZ-UHFFFAOYSA-N 1 0 352.522 3.984 50 0 FHAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3cccs3)nc21 ZINC000005115519 206188594 /nfs/dbraw/zinc/18/85/94/206188594.db2.gz SGSXTAFQGWLRFI-UHFFFAOYSA-N 1 0 361.492 3.575 50 0 FHAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(F)cc3)nc2c1 ZINC000005121500 206190230 /nfs/dbraw/zinc/19/02/30/206190230.db2.gz ODNJGFCNJLXZAW-UHFFFAOYSA-N 1 0 373.453 3.652 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000007828527 206211344 /nfs/dbraw/zinc/21/13/44/206211344.db2.gz YNUNYJCOBZTTED-UHFFFAOYSA-N 1 0 354.494 3.840 50 0 FHAARO COC(=O)c1ccc2[nH]c(C)c(C[N@H+](C)Cc3ccccc3)c(=O)c2c1 ZINC000008572542 206217083 /nfs/dbraw/zinc/21/70/83/206217083.db2.gz PPLMYTWMTOXNLI-UHFFFAOYSA-N 1 0 350.418 3.667 50 0 FHAARO CC(C)[N@@H+]1CCN(Cc2ccc(-c3ccccc3Cl)o2)C[C@H]1CCO ZINC000104440972 206231890 /nfs/dbraw/zinc/23/18/90/206231890.db2.gz CLDRRULDXOBKNW-MRXNPFEDSA-N 1 0 362.901 3.877 50 0 FHAARO O=C(CN1CCc2ccccc2C1)Nc1ccc(Br)cc1F ZINC000005936172 206240702 /nfs/dbraw/zinc/24/07/02/206240702.db2.gz KSKCBBURXORWHB-UHFFFAOYSA-N 1 0 363.230 3.585 50 0 FHAARO CC(=O)Nc1cc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1F ZINC000170598243 206271721 /nfs/dbraw/zinc/27/17/21/206271721.db2.gz LVOUUNUSAORPII-BFUOFWGJSA-N 1 0 372.444 3.597 50 0 FHAARO CCc1ccc([C@@H]2COCCN2C(=O)c2ccc(C[NH+](CC)CC)cc2)o1 ZINC000170633002 206277003 /nfs/dbraw/zinc/27/70/03/206277003.db2.gz QIMIGXYNLSWYSH-FQEVSTJZSA-N 1 0 370.493 3.898 50 0 FHAARO CCc1ccc(OCC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000170629017 206277391 /nfs/dbraw/zinc/27/73/91/206277391.db2.gz JKETWCIKCZBPEH-GOSISDBHSA-N 1 0 366.505 3.970 50 0 FHAARO Cc1ccc(C)c(C(=O)NC[C@H](c2cccn2C)[NH+]2CCCCCC2)c1 ZINC000011846314 206286999 /nfs/dbraw/zinc/28/69/99/206286999.db2.gz BONRTLXYJXRVFN-OAQYLSRUSA-N 1 0 353.510 3.989 50 0 FHAARO Cn1cccc1[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)[NH+]1CCCC1 ZINC000011845627 206287047 /nfs/dbraw/zinc/28/70/47/206287047.db2.gz PQFNTNXJCRRZQA-KRWDZBQOSA-N 1 0 366.292 3.899 50 0 FHAARO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)C1CCCC1 ZINC000053436532 206291622 /nfs/dbraw/zinc/29/16/22/206291622.db2.gz RQVDPMBGQIZIRC-INIZCTEOSA-N 1 0 357.479 3.893 50 0 FHAARO CCc1cc2c(C[N@H+](C)CCOc3ccccc3C)cc(=O)oc2cc1O ZINC000012934998 206298781 /nfs/dbraw/zinc/29/87/81/206298781.db2.gz CRIPNBLBAVOHBY-UHFFFAOYSA-N 1 0 367.445 3.880 50 0 FHAARO O=C(c1cc(C2CC2)on1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178588858 206304192 /nfs/dbraw/zinc/30/41/92/206304192.db2.gz ZELWIXISQVUZJQ-QUCCMNQESA-N 1 0 365.477 3.679 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Nc2cccc(C)c2)[NH+]2CCCC2)cc1 ZINC000013002509 206299985 /nfs/dbraw/zinc/29/99/85/206299985.db2.gz IEBZREPNMAAYBO-HXUWFJFHSA-N 1 0 353.466 3.962 50 0 FHAARO O=C(CCc1c[nH]c2ccccc12)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000013010381 206300490 /nfs/dbraw/zinc/30/04/90/206300490.db2.gz GOIFPJRCNPGYEF-UHFFFAOYSA-N 1 0 361.489 3.835 50 0 FHAARO CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000106920914 206313212 /nfs/dbraw/zinc/31/32/12/206313212.db2.gz XJJBWQQJHGVOFC-OLZOCXBDSA-N 1 0 358.313 3.594 50 0 FHAARO S=C(Nc1ccccc1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000013577102 206304824 /nfs/dbraw/zinc/30/48/24/206304824.db2.gz LCOUYPXNEIZLIA-HXUWFJFHSA-N 1 0 351.519 3.559 50 0 FHAARO Cc1ccc(-c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)cc1-n1cccc1 ZINC000020295875 206334324 /nfs/dbraw/zinc/33/43/24/206334324.db2.gz OTYRPSPHPKOTKE-UHFFFAOYSA-N 1 0 371.444 3.852 50 0 FHAARO Cc1ccc(Oc2ccc(CN3CC[NH+](CCCO)CC3)cc2)cc1C ZINC000214987068 206343011 /nfs/dbraw/zinc/34/30/11/206343011.db2.gz WCOOQYRJGSNETA-UHFFFAOYSA-N 1 0 354.494 3.596 50 0 FHAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000215362170 206345663 /nfs/dbraw/zinc/34/56/63/206345663.db2.gz UGPSTGFQICQPMJ-QGZVFWFLSA-N 1 0 357.461 3.854 50 0 FHAARO COc1ccc(C[NH2+]CCc2ccccc2OC)cc1Br ZINC000020927789 206345765 /nfs/dbraw/zinc/34/57/65/206345765.db2.gz FBKQWAOHGHUYNJ-UHFFFAOYSA-N 1 0 350.256 3.799 50 0 FHAARO CCOc1ccc(C[NH+]2CCC3(CC2)CCC(=O)N(C)CC3)cc1Cl ZINC000215528047 206347130 /nfs/dbraw/zinc/34/71/30/206347130.db2.gz YUHRELAGOWFQCS-UHFFFAOYSA-N 1 0 364.917 3.963 50 0 FHAARO Cc1cncnc1C1CC[NH+](Cc2cnc(-c3cccs3)nc2)CC1 ZINC000215562857 206348639 /nfs/dbraw/zinc/34/86/39/206348639.db2.gz ZWPHOYFOQYXWCI-UHFFFAOYSA-N 1 0 351.479 3.683 50 0 FHAARO C[C@@H](CCn1cccn1)[N@@H+]1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 ZINC000215853459 206352640 /nfs/dbraw/zinc/35/26/40/206352640.db2.gz GUVNDNAROAQNEK-AWEZNQCLSA-N 1 0 355.873 3.764 50 0 FHAARO COc1cccc2c1OCC(C[N@@H+]1CCC[C@H](OCc3ccccn3)C1)=C2 ZINC000216123428 206355377 /nfs/dbraw/zinc/35/53/77/206355377.db2.gz GSKRCTAVUXURTC-FQEVSTJZSA-N 1 0 366.461 3.547 50 0 FHAARO Cc1ccc(S[C@H](C)C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000219316762 206382405 /nfs/dbraw/zinc/38/24/05/206382405.db2.gz GRNFROYGYCHNDU-QGZVFWFLSA-N 1 0 369.534 3.651 50 0 FHAARO Cc1nc2cc(CNC(=O)C3([NH+]4CCCCC4)CCCCC3)ccc2[nH]1 ZINC000216471073 206359044 /nfs/dbraw/zinc/35/90/44/206359044.db2.gz GAYFUNZKZXINSF-UHFFFAOYSA-N 1 0 354.498 3.676 50 0 FHAARO C[C@@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000057856193 206390589 /nfs/dbraw/zinc/39/05/89/206390589.db2.gz RFBOPACGGOMXKN-OAHLLOKOSA-N 1 0 362.429 3.536 50 0 FHAARO CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)C1([NH+]2CCCC2)CCCC1 ZINC000219856686 206392511 /nfs/dbraw/zinc/39/25/11/206392511.db2.gz SFGNOJJWFKPKSI-UHFFFAOYSA-N 1 0 360.889 3.583 50 0 FHAARO Cc1c(C(=O)N2CCN(c3cc[nH+]cc3C)CC2)[nH]c2c1c(C)ccc2C ZINC000091915368 132204721 /nfs/dbraw/zinc/20/47/21/132204721.db2.gz DVDNXYXBRJWBKL-UHFFFAOYSA-N 1 0 362.477 3.759 50 0 FHAARO Cc1cc(N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)nc2ccccc12 ZINC000095369886 132208569 /nfs/dbraw/zinc/20/85/69/132208569.db2.gz BWENLFZXULLNDD-GOSISDBHSA-N 1 0 363.509 3.685 50 0 FHAARO Cc1cc(Cl)cc2c(N3CCC([NH+]4CCC(O)CC4)CC3)ccnc12 ZINC000095368996 132208702 /nfs/dbraw/zinc/20/87/02/132208702.db2.gz JAMAZQIDEVJLIA-UHFFFAOYSA-N 1 0 359.901 3.622 50 0 FHAARO Cc1cnccc1C[NH2+]C1CCN(c2nccc(C3CCCC3)n2)CC1 ZINC000095374257 132208858 /nfs/dbraw/zinc/20/88/58/132208858.db2.gz WFJWUYSOVWIAIH-UHFFFAOYSA-N 1 0 351.498 3.596 50 0 FHAARO C[C@@H](C1CCN(c2ccc3cccc(Cl)c3n2)CC1)[NH+]1CCOCC1 ZINC000095374524 132208927 /nfs/dbraw/zinc/20/89/27/132208927.db2.gz HVSIQLFEQFDVAK-HNNXBMFYSA-N 1 0 359.901 3.825 50 0 FHAARO O=C(c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)cc1)N1CCCCC1 ZINC000096164832 132221568 /nfs/dbraw/zinc/22/15/68/132221568.db2.gz IAGHEIBINLFMII-UHFFFAOYSA-N 1 0 365.477 3.756 50 0 FHAARO C[NH+]1CCN(c2ccccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000005067724 132256272 /nfs/dbraw/zinc/25/62/72/132256272.db2.gz LIQBJRKWFAHMKW-UHFFFAOYSA-N 1 0 367.537 3.983 50 0 FHAARO CC(C)=CC[N@@H+]1CCN(c2ccc3cc(Cl)ccc3n2)C[C@H]1CCO ZINC000106949421 132265965 /nfs/dbraw/zinc/26/59/65/132265965.db2.gz CUKMALUZMRETPU-GOSISDBHSA-N 1 0 359.901 3.727 50 0 FHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc2ccccc2n1 ZINC000021285860 132900627 /nfs/dbraw/zinc/90/06/27/132900627.db2.gz MGYOCZLITRBQBP-UHFFFAOYSA-N 1 0 360.461 3.547 50 0 FHAARO O=C(CCc1ccccc1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000056479010 136127769 /nfs/dbraw/zinc/12/77/69/136127769.db2.gz KHAAIPUBPDIQFH-UHFFFAOYSA-N 1 0 363.505 3.790 50 0 FHAARO c1ccc(-c2[nH]c3ccccc3c2C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000057292080 136128492 /nfs/dbraw/zinc/12/84/92/136128492.db2.gz OZXCUHWWQFUBDK-UHFFFAOYSA-N 1 0 369.472 3.947 50 0 FHAARO Cc1cccc(-c2nnc(C)c(N3CCC([NH+]4CCCCC4)CC3)n2)c1 ZINC000065195849 136135343 /nfs/dbraw/zinc/13/53/43/136135343.db2.gz 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CC(C)Sc1ccc(CC(=O)N2CCCSC[C@@H]2C[NH+](C)C)cc1 ZINC000090700128 519787974 /nfs/dbraw/zinc/78/79/74/519787974.db2.gz RVBCSPFINXDYQP-KRWDZBQOSA-N 1 0 366.596 3.625 50 0 FHAARO CCC[N@@H+]1CCCn2nc(CNC(=O)Nc3ccc(SC)cc3)cc2C1 ZINC000082166840 519854540 /nfs/dbraw/zinc/85/45/40/519854540.db2.gz FLMRKAGJVQDYSU-UHFFFAOYSA-N 1 0 373.526 3.542 50 0 FHAARO CCOC[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000081522142 520182714 /nfs/dbraw/zinc/18/27/14/520182714.db2.gz WMMXOHNOHWSBNJ-JXFKEZNVSA-N 1 0 356.441 3.864 50 0 FHAARO CCOc1cc(CN2CC[NH+](Cc3cccc(C)c3)CC2)ccc1OC ZINC000019789442 520699170 /nfs/dbraw/zinc/69/91/70/520699170.db2.gz WFQQSVZOCZMTGM-UHFFFAOYSA-N 1 0 354.494 3.720 50 0 FHAARO CCN(CC)c1nnc(-n2cccc2C[NH2+]Cc2ccccc2F)s1 ZINC000020576645 520936061 /nfs/dbraw/zinc/93/60/61/520936061.db2.gz AFWKDPUTRRLSJJ-UHFFFAOYSA-N 1 0 359.474 3.604 50 0 FHAARO CCCCc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)Nc3ccccc3)CC2)[nH]1 ZINC000082096951 521294487 /nfs/dbraw/zinc/29/44/87/521294487.db2.gz 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FHAARO O=C(Nc1ccccc1Cl)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091781148 570439082 /nfs/dbraw/zinc/43/90/82/570439082.db2.gz LYERFZDJWPKLFG-DOTOQJQBSA-N 1 0 370.884 3.863 50 0 FHAARO Cc1c2ccc(C)cc2oc1C(=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000091818965 570439757 /nfs/dbraw/zinc/43/97/57/570439757.db2.gz ZWIIBIRQKSSKGH-SFHVURJKSA-N 1 0 370.493 3.767 50 0 FHAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccccc1Cl ZINC000091845611 570440456 /nfs/dbraw/zinc/44/04/56/570440456.db2.gz PQPYOCZNKSCVRS-UHFFFAOYSA-N 1 0 372.900 3.615 50 0 FHAARO O=C1CCC2(CC[NH+](C[C@@H]3CC=CCC3)CC2)CN1Cc1ccncc1 ZINC000091914893 570442462 /nfs/dbraw/zinc/44/24/62/570442462.db2.gz CEWJLZVFPKIWAE-LJQANCHMSA-N 1 0 353.510 3.643 50 0 FHAARO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)cc1O ZINC000092107438 570447382 /nfs/dbraw/zinc/44/73/82/570447382.db2.gz KEAQZQYDTYYCEU-QFIPXVFZSA-N 1 0 372.509 3.548 50 0 FHAARO Cc1nc(CN2CCN(Cc3cccc(-c4ccccc4C)c3)CC2)no1 ZINC000093274144 570449617 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COc1cc(C(=O)O[C@H](C)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc(OC)c1OC ZINC000000802594 570457481 /nfs/dbraw/zinc/45/74/81/570457481.db2.gz IFISOMHXZPOZTF-QLFBSQMISA-N 1 0 365.470 3.521 50 0 FHAARO CC(C)c1nccn1CCCNC(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095380178 570458178 /nfs/dbraw/zinc/45/81/78/570458178.db2.gz CQUCLCVMJQCNGZ-UHFFFAOYSA-N 1 0 360.546 3.558 50 0 FHAARO Cc1cccc2cc(C(=O)NCC[N@@H+]3CC[C@H](c4ccccc4)C3)n(C)c21 ZINC000095380283 570458371 /nfs/dbraw/zinc/45/83/71/570458371.db2.gz FVEVVFAHFCHRGO-FQEVSTJZSA-N 1 0 361.489 3.706 50 0 FHAARO CN(Cc1[nH]nc2c1CCCC2)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095380910 570458860 /nfs/dbraw/zinc/45/88/60/570458860.db2.gz OAEMYTFMOOWBLA-UHFFFAOYSA-N 1 0 366.509 3.547 50 0 FHAARO O=C(NCc1cc2cc(Cl)ccc2[nH]1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095380592 570458920 /nfs/dbraw/zinc/45/89/20/570458920.db2.gz HWSQXVIDFYPAQK-AWEZNQCLSA-N 1 0 371.868 3.943 50 0 FHAARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1cncc(Cl)c1)CC2 ZINC000095499349 570462840 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FHAARO O=C(Nc1ccc(Cl)cc1F)N1CCC([NH+]2CCSCC2)CC1 ZINC000095525109 570468526 /nfs/dbraw/zinc/46/85/26/570468526.db2.gz BHCBWVILDUUPJD-UHFFFAOYSA-N 1 0 357.882 3.524 50 0 FHAARO CCc1cc(C(=O)N2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)ccn1 ZINC000095527091 570468919 /nfs/dbraw/zinc/46/89/19/570468919.db2.gz OXVFVAKODSKEEV-FQEVSTJZSA-N 1 0 363.505 3.738 50 0 FHAARO O=C(C1CC1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095531035 570469996 /nfs/dbraw/zinc/46/99/96/570469996.db2.gz ZAPBKPLRWGIABQ-LJQANCHMSA-N 1 0 355.526 3.865 50 0 FHAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000096132345 570476393 /nfs/dbraw/zinc/47/63/93/570476393.db2.gz PPWSPGDYFCXBNH-INIZCTEOSA-N 1 0 366.465 3.964 50 0 FHAARO Cc1occc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000096136658 570476404 /nfs/dbraw/zinc/47/64/04/570476404.db2.gz BGABLVCPUVLGJC-LJQANCHMSA-N 1 0 352.478 3.930 50 0 FHAARO Cc1ccc(-c2nc(-c3cc(C(C)C)nn3C)n(C3CC[NH+](C)CC3)n2)o1 ZINC000096151674 570477632 /nfs/dbraw/zinc/47/76/32/570477632.db2.gz BANBQLKBBHHHGA-UHFFFAOYSA-N 1 0 368.485 3.637 50 0 FHAARO FC1(F)CC[NH+](C2CCN(c3nnc(-c4ccccc4)s3)CC2)CC1 ZINC000096164096 570477932 /nfs/dbraw/zinc/47/79/32/570477932.db2.gz PIBSFNUKMBTPAY-UHFFFAOYSA-N 1 0 364.465 3.905 50 0 FHAARO CCC(=O)NCc1cccc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000096160591 570477983 /nfs/dbraw/zinc/47/79/83/570477983.db2.gz ALKMEGJRAIWVII-KRWDZBQOSA-N 1 0 352.478 3.773 50 0 FHAARO CCCN1CCc2nc[nH]c2C12CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000096164705 570478457 /nfs/dbraw/zinc/47/84/57/570478457.db2.gz UOKCUMFTBPUHIA-ONEGZZNKSA-N 1 0 368.500 3.821 50 0 FHAARO c1cc([C@@H]2CCCCO2)oc1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000097323892 570486341 /nfs/dbraw/zinc/48/63/41/570486341.db2.gz IKFZKUFLQRFGNX-QFIPXVFZSA-N 1 0 366.505 3.806 50 0 FHAARO c1cncc(-c2ccnc(NC[C@H](c3cccnc3)[NH+]3CCCCC3)n2)c1 ZINC000097475476 570487877 /nfs/dbraw/zinc/48/78/77/570487877.db2.gz BPFDDOVWJBJKHJ-HXUWFJFHSA-N 1 0 360.465 3.573 50 0 FHAARO Cc1ccc(C[NH+]2CCC(CNc3nccc(-c4cccnc4)n3)CC2)o1 ZINC000097495108 570487991 /nfs/dbraw/zinc/48/79/91/570487991.db2.gz YHGGNLUOTGMLDT-UHFFFAOYSA-N 1 0 363.465 3.764 50 0 FHAARO Fc1ccc(C[N@@H+]2CCC[C@@H](Nc3nccc(-c4cccnc4)n3)C2)cc1 ZINC000097436773 570488037 /nfs/dbraw/zinc/48/80/37/570488037.db2.gz WODHNFFYZJFIDO-LJQANCHMSA-N 1 0 363.440 3.754 50 0 FHAARO Cc1cc2cccc(C(=O)NC3CC[NH+](C4CCSCC4)CC3)c2o1 ZINC000097532218 570489885 /nfs/dbraw/zinc/48/98/85/570489885.db2.gz QTWYVTIUOIKKDN-UHFFFAOYSA-N 1 0 358.507 3.831 50 0 FHAARO C[C@@H](c1ccc(C(=O)NCCCc2ccc(O)cc2)o1)[NH+]1CCCCC1 ZINC000097594842 570491286 /nfs/dbraw/zinc/49/12/86/570491286.db2.gz FLFBPCRWTPUWDK-INIZCTEOSA-N 1 0 356.466 3.895 50 0 FHAARO CCC(CC)n1nccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000097619245 570491737 /nfs/dbraw/zinc/49/17/37/570491737.db2.gz MCNFHNHWJCFDHL-MRXNPFEDSA-N 1 0 373.501 3.871 50 0 FHAARO C[N@@H+]1CCCCC[C@H]1C(=O)N(Cc1ccncc1)Cc1ccc(F)cc1 ZINC000097698884 570492594 /nfs/dbraw/zinc/49/25/94/570492594.db2.gz ZDUUVZLXVLOBKX-FQEVSTJZSA-N 1 0 355.457 3.624 50 0 FHAARO Clc1cccc2ccc(CN3CCCO[C@H](C[NH+]4CCCC4)C3)nc12 ZINC000097759462 570494266 /nfs/dbraw/zinc/49/42/66/570494266.db2.gz IGWKRQHNKHAHLP-GOSISDBHSA-N 1 0 359.901 3.575 50 0 FHAARO O[C@H]1C[C@H]2C[N@@H+](Cc3cccc4c5ccccc5sc43)C[C@H]2C[C@@H]1O ZINC000097813777 570495205 /nfs/dbraw/zinc/49/52/05/570495205.db2.gz KSXMUGZNMQCRRK-QXGSTGNESA-N 1 0 353.487 3.618 50 0 FHAARO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2c(F)cccc2Cl)C2CC2)C1 ZINC000584903337 570511137 /nfs/dbraw/zinc/51/11/37/570511137.db2.gz GDYHGWTZMAMKOG-CQSZACIVSA-N 1 0 367.896 3.885 50 0 FHAARO O=C(CCn1ccc2ccccc21)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023741792 570543940 /nfs/dbraw/zinc/54/39/40/570543940.db2.gz SRMFYDKMFOYLIV-JOCHJYFZSA-N 1 0 361.489 3.985 50 0 FHAARO CN(C(=O)CC1=CCCCC1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011874464 570598148 /nfs/dbraw/zinc/59/81/48/570598148.db2.gz NVXXDWUJXZRVIL-OAQYLSRUSA-N 1 0 352.522 3.967 50 0 FHAARO COc1cc2cc[n+](Cc3cccc(Br)c3)cc2cc1OC ZINC000024156696 570613850 /nfs/dbraw/zinc/61/38/50/570613850.db2.gz GOKMMBRKMQTJDY-UHFFFAOYSA-N 1 0 359.243 3.955 50 0 FHAARO CCC[NH+]1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000004981357 570615833 /nfs/dbraw/zinc/61/58/33/570615833.db2.gz FCBIYBXBWZVPBD-UHFFFAOYSA-N 1 0 355.448 3.702 50 0 FHAARO Cc1c(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)sc2cccc(F)c12 ZINC000329745965 570620591 /nfs/dbraw/zinc/62/05/91/570620591.db2.gz YRFGJFGBKAIXNB-DGCLKSJQSA-N 1 0 359.426 3.935 50 0 FHAARO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000252499877 570623069 /nfs/dbraw/zinc/62/30/69/570623069.db2.gz SHRPHSXQKMGGAE-UHFFFAOYSA-N 1 0 373.419 3.967 50 0 FHAARO COc1cc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1OC1CCCC1 ZINC000252500483 570623134 /nfs/dbraw/zinc/62/31/34/570623134.db2.gz SWPRQNPGMQLAPU-UHFFFAOYSA-N 1 0 372.509 3.622 50 0 FHAARO c1csc(C[N@@H+]2CCC[C@@H](Nc3nccc(-c4ccncc4)n3)C2)c1 ZINC000097619613 570694269 /nfs/dbraw/zinc/69/42/69/570694269.db2.gz GNVPYIAVPAORLU-MRXNPFEDSA-N 1 0 351.479 3.677 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c(F)c1 ZINC000011717303 570705730 /nfs/dbraw/zinc/70/57/30/570705730.db2.gz ZOSGXAWHOJHDOG-HNNXBMFYSA-N 1 0 374.431 3.615 50 0 FHAARO Cc1nc[nH]c1CN(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011936764 570712593 /nfs/dbraw/zinc/71/25/93/570712593.db2.gz DKHCPVUGZSMKND-SFHVURJKSA-N 1 0 360.933 3.758 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3C)C2)c(F)c1 ZINC000011947973 570712865 /nfs/dbraw/zinc/71/28/65/570712865.db2.gz VCJSWVYMCFSYGO-JOCHJYFZSA-N 1 0 357.469 3.960 50 0 FHAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)/C=C/c2ccncc2)C1 ZINC000012076489 570717169 /nfs/dbraw/zinc/71/71/69/570717169.db2.gz ZUFAMXXFLWTKOQ-CZQLGGELSA-N 1 0 363.505 3.508 50 0 FHAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cccc(SC)c2)C1 ZINC000012089790 570718242 /nfs/dbraw/zinc/71/82/42/570718242.db2.gz KTCZSZCLXIIGOU-LJQANCHMSA-N 1 0 351.512 3.590 50 0 FHAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cc1CO ZINC000012187047 570724860 /nfs/dbraw/zinc/72/48/60/570724860.db2.gz IERLJVFQJAEUPH-FQEVSTJZSA-N 1 0 359.441 3.508 50 0 FHAARO CCc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)on1 ZINC000012297669 570732815 /nfs/dbraw/zinc/73/28/15/570732815.db2.gz IUSZSQNAHPEDQL-NRFANRHFSA-N 1 0 371.456 3.504 50 0 FHAARO Cc1ccc(N[C@@H]2CCC[N@H+](Cc3ccc(OCCO)cc3)C2)cc1C ZINC000012305897 570734819 /nfs/dbraw/zinc/73/48/19/570734819.db2.gz WUFMTWXCAYBSNO-OAQYLSRUSA-N 1 0 354.494 3.751 50 0 FHAARO O=C1N(Cc2cccnc2)CCC[C@]12CC[N@H+](C/C=C/c1ccccc1)C2 ZINC000012309038 570735451 /nfs/dbraw/zinc/73/54/51/570735451.db2.gz ZBNAZJOHIPQQHM-HAOIVFDCSA-N 1 0 361.489 3.610 50 0 FHAARO Cc1ccc(-c2cn3c(C(=O)NCC(C)(C)C[NH+](C)C)csc3n2)cc1 ZINC000012434111 570744575 /nfs/dbraw/zinc/74/45/75/570744575.db2.gz LCRCKVZAIQIHIV-UHFFFAOYSA-N 1 0 370.522 3.689 50 0 FHAARO CCn1ccnc1CN(C)C[C@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012441884 570746045 /nfs/dbraw/zinc/74/60/45/570746045.db2.gz ORORYZZDOOUFQI-HXUWFJFHSA-N 1 0 354.542 3.598 50 0 FHAARO O=C(N1CCC[C@@H](Nc2ccc(F)cc2)C1)C1([NH+]2CCCC2)CCCC1 ZINC000012443550 570746168 /nfs/dbraw/zinc/74/61/68/570746168.db2.gz XSDZOISPOJYIMZ-LJQANCHMSA-N 1 0 359.489 3.637 50 0 FHAARO Cc1cccc(-n2cc(C[NH+]3CCC(O)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000012459212 570747486 /nfs/dbraw/zinc/74/74/86/570747486.db2.gz IHRIGAICJGTBDO-UHFFFAOYSA-N 1 0 365.452 3.944 50 0 FHAARO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3=O)o1 ZINC000012459745 570747492 /nfs/dbraw/zinc/74/74/92/570747492.db2.gz LPDBDJJWYNGIJH-NRFANRHFSA-N 1 0 374.431 3.881 50 0 FHAARO CC(C)n1cc(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)cn1 ZINC000012473594 570748763 /nfs/dbraw/zinc/74/87/63/570748763.db2.gz TUAAMTSDQBMFMQ-UHFFFAOYSA-N 1 0 361.917 3.935 50 0 FHAARO Cc1cccc(N2CC[NH+](CC[C@@H](C)NC(=O)C3CCCCC3)CC2)c1 ZINC000032579751 570749165 /nfs/dbraw/zinc/74/91/65/570749165.db2.gz GPJFZQZZKJFFOC-LJQANCHMSA-N 1 0 357.542 3.592 50 0 FHAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000012581345 570751457 /nfs/dbraw/zinc/75/14/57/570751457.db2.gz GGMHPXBNJQSKMU-UHFFFAOYSA-N 1 0 369.509 3.507 50 0 FHAARO O=C(CCC(F)(F)F)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012587369 570751950 /nfs/dbraw/zinc/75/19/50/570751950.db2.gz KKJLYTCVTRZQNZ-LJQANCHMSA-N 1 0 368.443 3.886 50 0 FHAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cn(CC)nc2C)C1 ZINC000012712911 570757976 /nfs/dbraw/zinc/75/79/76/570757976.db2.gz LSWRMAJLGDKKOC-JOCHJYFZSA-N 1 0 369.509 3.599 50 0 FHAARO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)CC1 ZINC000012718839 570758253 /nfs/dbraw/zinc/75/82/53/570758253.db2.gz QBDVMUIBCLHZIY-AWEZNQCLSA-N 1 0 374.460 3.591 50 0 FHAARO O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012788689 570761517 /nfs/dbraw/zinc/76/15/17/570761517.db2.gz JSODCIXTILFYSU-MRXNPFEDSA-N 1 0 363.288 3.927 50 0 FHAARO O=C(Cc1c(F)cccc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012811072 570764335 /nfs/dbraw/zinc/76/43/35/570764335.db2.gz BRFZZQOUMFCGBY-UHFFFAOYSA-N 1 0 360.860 3.802 50 0 FHAARO COc1ccccc1[C@H](CNC(=O)Nc1ccccc1F)[NH+]1CCCC1 ZINC000012973533 570769169 /nfs/dbraw/zinc/76/91/69/570769169.db2.gz RAKZRYXNDZJVPD-SFHVURJKSA-N 1 0 357.429 3.793 50 0 FHAARO Cc1ccc(COc2ccccc2C[NH2+]CCCN2CCCC2=O)cc1 ZINC000013727940 570788269 /nfs/dbraw/zinc/78/82/69/570788269.db2.gz SUFGBJADXYZSMZ-UHFFFAOYSA-N 1 0 352.478 3.676 50 0 FHAARO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000032739814 570789400 /nfs/dbraw/zinc/78/94/00/570789400.db2.gz RXGFIGVJUMBJPL-FQEVSTJZSA-N 1 0 351.425 3.947 50 0 FHAARO CCC(CC)[C@H](CNC(=O)NCc1ccccc1COC)[NH+]1CCCC1 ZINC000071925655 570792402 /nfs/dbraw/zinc/79/24/02/570792402.db2.gz UKQPCNNKEPXCFJ-FQEVSTJZSA-N 1 0 361.530 3.533 50 0 FHAARO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)n1C1CC1 ZINC000014126019 570807513 /nfs/dbraw/zinc/80/75/13/570807513.db2.gz JECMKIQOUUWVJY-UHFFFAOYSA-N 1 0 351.494 3.834 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1 ZINC000014185755 570810844 /nfs/dbraw/zinc/81/08/44/570810844.db2.gz WCCJVCXXRKNSIM-SFHVURJKSA-N 1 0 355.482 3.647 50 0 FHAARO CC[N@H+](Cc1ccc(Br)s1)Cc1ccc(C(N)=O)cc1 ZINC000014188721 570811416 /nfs/dbraw/zinc/81/14/16/570811416.db2.gz LSAWEYTWELHWMP-UHFFFAOYSA-N 1 0 353.285 3.632 50 0 FHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Br ZINC000014188618 570811522 /nfs/dbraw/zinc/81/15/22/570811522.db2.gz TZPPOAFNCRPKGX-UHFFFAOYSA-N 1 0 373.294 3.975 50 0 FHAARO CCOc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(C)cc2C)cc1OC ZINC000014248209 570816281 /nfs/dbraw/zinc/81/62/81/570816281.db2.gz SWHAATNLDORQQV-IBGZPJMESA-N 1 0 373.493 3.582 50 0 FHAARO Cc1cccc(C)c1N1C(=O)C[C@H](N(Cc2ccc(F)cc2)C2CC2)C1=O ZINC000101127367 570817241 /nfs/dbraw/zinc/81/72/41/570817241.db2.gz ACMBGDHYRMLSLJ-IBGZPJMESA-N 1 0 366.436 3.739 50 0 FHAARO CSCCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000014958444 570826722 /nfs/dbraw/zinc/82/67/22/570826722.db2.gz YLQLASRYPXTAEU-KRWDZBQOSA-N 1 0 361.536 3.966 50 0 FHAARO C[NH+](C)[C@H]1CCN(c2nncc(-c3ccc(C4CCCCC4)cc3)n2)C1 ZINC000014975781 570828106 /nfs/dbraw/zinc/82/81/06/570828106.db2.gz OTYLPWINKJJJJN-IBGZPJMESA-N 1 0 351.498 3.727 50 0 FHAARO CCn1ccnc1CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000015066893 570831064 /nfs/dbraw/zinc/83/10/64/570831064.db2.gz XHFQPTPHBSTGHF-NRFANRHFSA-N 1 0 356.489 3.530 50 0 FHAARO Cc1cccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC000015860043 570845996 /nfs/dbraw/zinc/84/59/96/570845996.db2.gz UYYSVPXVMGTJKZ-GOSISDBHSA-N 1 0 356.466 3.619 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)no2)cc1 ZINC000015859724 570846004 /nfs/dbraw/zinc/84/60/04/570846004.db2.gz CZCAYPMWXOGNTE-MRXNPFEDSA-N 1 0 355.463 3.744 50 0 FHAARO C[N@@H+]1CCCC[C@H]1CCSc1ncnc2c1cnn2-c1ccccc1 ZINC000032911212 570851218 /nfs/dbraw/zinc/85/12/18/570851218.db2.gz WRMAKVHCEDVIRT-HNNXBMFYSA-N 1 0 353.495 3.782 50 0 FHAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccccc2C)cc1 ZINC000016339217 570854661 /nfs/dbraw/zinc/85/46/61/570854661.db2.gz KSOONMPBDVQXJE-OAQYLSRUSA-N 1 0 352.478 3.799 50 0 FHAARO COc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)ccc1OCCO ZINC000105422693 570872430 /nfs/dbraw/zinc/87/24/30/570872430.db2.gz RNLUSVFVCISYBZ-HNNXBMFYSA-N 1 0 371.477 3.631 50 0 FHAARO COc1cc(C[NH2+]C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)cc(Cl)c1OC ZINC000018166329 570876023 /nfs/dbraw/zinc/87/60/23/570876023.db2.gz AYYXBVRJQWCQQG-BAUKFBFWSA-N 1 0 351.874 3.531 50 0 FHAARO CCc1cccc(C)c1NC(=O)CN(C)Cc1cc(F)cc2c1OCOC2 ZINC000032937640 570878385 /nfs/dbraw/zinc/87/83/85/570878385.db2.gz FMJWXWXGLSQVOJ-UHFFFAOYSA-N 1 0 372.440 3.634 50 0 FHAARO CC1CCN([C@H](C[NH2+]C[C@@H](O)COc2ccccc2)c2cccs2)CC1 ZINC000019359810 570887324 /nfs/dbraw/zinc/88/73/24/570887324.db2.gz XVMDYZMIUIBHTN-UYAOXDASSA-N 1 0 374.550 3.551 50 0 FHAARO CC(C)c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019536982 570892017 /nfs/dbraw/zinc/89/20/17/570892017.db2.gz YGEUTMKDECHTLR-UHFFFAOYSA-N 1 0 352.478 3.857 50 0 FHAARO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000019541993 570892581 /nfs/dbraw/zinc/89/25/81/570892581.db2.gz VCZCJGNVTGGIAH-UHFFFAOYSA-N 1 0 363.413 3.642 50 0 FHAARO CCCOc1c(Br)cc(C[NH2+]C[C@H]2CCCO2)cc1OCC ZINC000020932354 570927071 /nfs/dbraw/zinc/92/70/71/570927071.db2.gz OXDISUJWWPEUPY-CQSZACIVSA-N 1 0 372.303 3.905 50 0 FHAARO COc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1Br ZINC000019789405 570902601 /nfs/dbraw/zinc/90/26/01/570902601.db2.gz CCYGZNZVQAVJSX-UHFFFAOYSA-N 1 0 367.331 3.908 50 0 FHAARO Cc1[nH]c2ccccc2c1[C@@H](O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000020444419 570916601 /nfs/dbraw/zinc/91/66/01/570916601.db2.gz OYEQUBUEWXNEPF-QFIPXVFZSA-N 1 0 363.505 3.949 50 0 FHAARO CC1CC[NH+](Cc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)CC1 ZINC000020486096 570918072 /nfs/dbraw/zinc/91/80/72/570918072.db2.gz AYJSDDBZDIXWBA-UHFFFAOYSA-N 1 0 363.461 3.517 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(NC(C)=O)cc1)[NH2+]CC2 ZINC000020506948 570918606 /nfs/dbraw/zinc/91/86/06/570918606.db2.gz HNMVJYGHRVZLTA-NRFANRHFSA-N 1 0 354.450 3.678 50 0 FHAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000020869572 570926041 /nfs/dbraw/zinc/92/60/41/570926041.db2.gz TVBQGORNUNPMGQ-HXUWFJFHSA-N 1 0 359.533 3.992 50 0 FHAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccc(F)c(OC)c2)C1 ZINC000020999833 570927868 /nfs/dbraw/zinc/92/78/68/570927868.db2.gz QXTAXDQYICKEQS-LJQANCHMSA-N 1 0 357.473 3.716 50 0 FHAARO COc1ccc(CC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)cc1 ZINC000021170942 570928760 /nfs/dbraw/zinc/92/87/60/570928760.db2.gz PDCRVGCUNMFCMT-HXUWFJFHSA-N 1 0 358.526 3.885 50 0 FHAARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(-c4ccc(C)cc4)nc3c12 ZINC000021801514 570934816 /nfs/dbraw/zinc/93/48/16/570934816.db2.gz NHNNMHLLLUSSKO-UHFFFAOYSA-N 1 0 362.481 3.623 50 0 FHAARO C[C@H](C(=O)Nc1ccccc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022015238 570937186 /nfs/dbraw/zinc/93/71/86/570937186.db2.gz GSQRMJVDSOOVPP-QGZVFWFLSA-N 1 0 371.912 3.527 50 0 FHAARO CCOc1cc(C[NH2+]CCN(C)C)ccc1OCc1ccccc1Cl ZINC000022075381 570939030 /nfs/dbraw/zinc/93/90/30/570939030.db2.gz WHTASGUARWQGEB-UHFFFAOYSA-N 1 0 362.901 3.969 50 0 FHAARO COc1cccc([C@@H](CNC(=O)CSc2ccccc2C)[NH+](C)C)c1 ZINC000022683224 570948197 /nfs/dbraw/zinc/94/81/97/570948197.db2.gz HDSWVMRYWPEKSU-GOSISDBHSA-N 1 0 358.507 3.515 50 0 FHAARO Cc1[nH]c2ccccc2c1C[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000022781212 570949728 /nfs/dbraw/zinc/94/97/28/570949728.db2.gz XLOOVGBTBDSMEJ-HXUWFJFHSA-N 1 0 368.550 3.616 50 0 FHAARO Cc1cc(Cl)ccc1OCC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000023330280 570961470 /nfs/dbraw/zinc/96/14/70/570961470.db2.gz KIKLQFLDRUOEIM-AWEZNQCLSA-N 1 0 352.887 3.508 50 0 FHAARO C[NH+](C)C1(CNC(=O)Cc2csc(-c3ccsc3)n2)CCCCC1 ZINC000024975503 570987259 /nfs/dbraw/zinc/98/72/59/570987259.db2.gz WZATWKDUQIQYIV-UHFFFAOYSA-N 1 0 363.552 3.795 50 0 FHAARO Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cc2)n1 ZINC000025329813 570993786 /nfs/dbraw/zinc/99/37/86/570993786.db2.gz AZXMZWTVZZVGGI-IBGZPJMESA-N 1 0 368.506 3.583 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccsc1 ZINC000025330107 570994135 /nfs/dbraw/zinc/99/41/35/570994135.db2.gz LKYHMLBTAKPQLG-AWEZNQCLSA-N 1 0 358.385 3.679 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1Br)c1ccsc1 ZINC000025330817 570994515 /nfs/dbraw/zinc/99/45/15/570994515.db2.gz ROOVPDHBACHQKB-CQSZACIVSA-N 1 0 371.275 3.682 50 0 FHAARO C[C@H]([NH2+]Cc1ccccc1Br)c1ccc(-n2cncn2)cc1 ZINC000025364508 570995009 /nfs/dbraw/zinc/99/50/09/570995009.db2.gz AWIUYBYNAZFIGB-ZDUSSCGKSA-N 1 0 357.255 3.881 50 0 FHAARO Cc1ccc2nc(C[NH2+]CCc3ccc(Cl)cc3Cl)cc(=O)n2c1 ZINC000025638155 570998337 /nfs/dbraw/zinc/99/83/37/570998337.db2.gz MCZYOYWUSWQQRJ-UHFFFAOYSA-N 1 0 362.260 3.642 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C)s2)cc1 ZINC000026311275 571004809 /nfs/dbraw/zinc/00/48/09/571004809.db2.gz LDAOPLQKJQUBOK-OAHLLOKOSA-N 1 0 366.552 3.938 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000027581591 571014622 /nfs/dbraw/zinc/01/46/22/571014622.db2.gz NLRFBIKLMVNKAM-OAQYLSRUSA-N 1 0 370.468 3.856 50 0 FHAARO COc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027581647 571014681 /nfs/dbraw/zinc/01/46/81/571014681.db2.gz CSJZWYQGYVNZRN-HXUWFJFHSA-N 1 0 352.478 3.961 50 0 FHAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027990300 571024898 /nfs/dbraw/zinc/02/48/98/571024898.db2.gz XRZBOFSKNLJGKA-NRFANRHFSA-N 1 0 352.478 3.636 50 0 FHAARO CC1CC[NH+]([C@@H](CNC(=O)COc2ccccc2)c2cccs2)CC1 ZINC000028291523 571029926 /nfs/dbraw/zinc/02/99/26/571029926.db2.gz OMAKRYLHKFQGKR-SFHVURJKSA-N 1 0 358.507 3.716 50 0 FHAARO C[C@@H](NCC[N@H+](CC1CC1)C1CC1)c1nc(Br)ccc1F ZINC000225408097 571033487 /nfs/dbraw/zinc/03/34/87/571033487.db2.gz DRPLUYLPMRLPPL-LLVKDONJSA-N 1 0 356.283 3.508 50 0 FHAARO C[C@@H](Nc1cc(-c2ccccc2)nc2ncnn21)[C@@H](c1ccccc1)[NH+](C)C ZINC000225532782 571043564 /nfs/dbraw/zinc/04/35/64/571043564.db2.gz KGYJGBFJDVIJMA-IERDGZPVSA-N 1 0 372.476 3.895 50 0 FHAARO C[C@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]CC1(N(C)C)CCCCC1 ZINC000038709181 571049292 /nfs/dbraw/zinc/04/92/92/571049292.db2.gz PGJAVWOIMLKVJE-OAHLLOKOSA-N 1 0 351.922 3.911 50 0 FHAARO COc1ccc(Nc2ccccc2C(=O)NC[C@@]2(C)CCC[N@H+](C)C2)cc1 ZINC000225616983 571049912 /nfs/dbraw/zinc/04/99/12/571049912.db2.gz FUYVHVRWKIFCEQ-JOCHJYFZSA-N 1 0 367.493 3.901 50 0 FHAARO CC(C)[N@@H+]1CCCC[C@H]1CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000032500714 571058106 /nfs/dbraw/zinc/05/81/06/571058106.db2.gz DCTLJPXXBOEFDD-HNNXBMFYSA-N 1 0 359.539 3.990 50 0 FHAARO COc1cccc2c(=O)n(CC[C@@H]3CCCC[N@@H+]3C3CCCC3)cnc12 ZINC000032581794 571058336 /nfs/dbraw/zinc/05/83/36/571058336.db2.gz MLTUMWCGXCMYMA-KRWDZBQOSA-N 1 0 355.482 3.592 50 0 FHAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c(Br)c1OC ZINC000225729125 571059994 /nfs/dbraw/zinc/05/99/94/571059994.db2.gz WIEGUIIHYHHGKS-GXTWGEPZSA-N 1 0 372.303 3.592 50 0 FHAARO C[C@H]1C[C@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000068272196 571064315 /nfs/dbraw/zinc/06/43/15/571064315.db2.gz IMIWIKCSHURIDQ-SUMWQHHRSA-N 1 0 354.416 3.784 50 0 FHAARO Cc1nnnn1CCC[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000225847304 571073813 /nfs/dbraw/zinc/07/38/13/571073813.db2.gz NGJWKQKBGPUWKC-UHFFFAOYSA-N 1 0 366.296 3.858 50 0 FHAARO CCCCn1c2ccccc2nc1N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000034910013 571075464 /nfs/dbraw/zinc/07/54/64/571075464.db2.gz CTQBVYVMHUERLI-QGZVFWFLSA-N 1 0 354.498 3.675 50 0 FHAARO Cc1cc(C)cc(OCC[N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)c1 ZINC000012758576 571078268 /nfs/dbraw/zinc/07/82/68/571078268.db2.gz NPVDTSJUWYSEBO-UHFFFAOYSA-N 1 0 353.418 3.626 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccsc1 ZINC000040141904 571084550 /nfs/dbraw/zinc/08/45/50/571084550.db2.gz BFQAERCCXKVXIO-QGZVFWFLSA-N 1 0 374.897 3.620 50 0 FHAARO CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cnn2ccccc12 ZINC000084456915 571086247 /nfs/dbraw/zinc/08/62/47/571086247.db2.gz XLZCXPWSRGMEFJ-HXUWFJFHSA-N 1 0 360.502 3.753 50 0 FHAARO C[N@H+](Cc1cc2c(cc1Br)OCCO2)C1Cc2ccccc2C1 ZINC000069418229 571098292 /nfs/dbraw/zinc/09/82/92/571098292.db2.gz FMUMFUXFCGWQPN-UHFFFAOYSA-N 1 0 374.278 3.820 50 0 FHAARO COCC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2C)CC1 ZINC000069737443 571102161 /nfs/dbraw/zinc/10/21/61/571102161.db2.gz FIFXCFPTMRJWHR-OAQYLSRUSA-N 1 0 358.526 3.625 50 0 FHAARO c1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@]34CCOC4)n2)cs1 ZINC000685942156 571103003 /nfs/dbraw/zinc/10/30/03/571103003.db2.gz FGQCMTOVLJGTGR-YLJYHZDGSA-N 1 0 367.474 3.804 50 0 FHAARO Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)[nH]n2)cc1C ZINC000015679337 571103381 /nfs/dbraw/zinc/10/33/81/571103381.db2.gz CIVJDGQSOOSIDQ-UHFFFAOYSA-N 1 0 374.488 3.652 50 0 FHAARO CCC[C@@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1 ZINC000015679380 571103389 /nfs/dbraw/zinc/10/33/89/571103389.db2.gz JKZFWEAIBBPKCX-QGZVFWFLSA-N 1 0 354.498 3.640 50 0 FHAARO CCC[C@@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000015679409 571103396 /nfs/dbraw/zinc/10/33/96/571103396.db2.gz ZZBXUVKNHPERJI-CQSZACIVSA-N 1 0 360.889 3.677 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2C)CC1 ZINC000009368839 571106978 /nfs/dbraw/zinc/10/69/78/571106978.db2.gz XWNRDZUNZXIEGM-UHFFFAOYSA-N 1 0 359.420 3.667 50 0 FHAARO CC(C)COc1ccccc1CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000072313446 571107209 /nfs/dbraw/zinc/10/72/09/571107209.db2.gz FWVREBZTPJUEIR-SFTDATJTSA-N 1 0 373.585 3.712 50 0 FHAARO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H](OCC)C23CCCC3)cc1 ZINC000241564167 571109859 /nfs/dbraw/zinc/10/98/59/571109859.db2.gz ORYRAXXLYBBTJG-KFKAGJAMSA-N 1 0 360.498 3.740 50 0 FHAARO O=C(Nc1ccccc1)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000015727062 571110527 /nfs/dbraw/zinc/11/05/27/571110527.db2.gz ULMLOLHWQXUESA-UHFFFAOYSA-N 1 0 364.424 3.731 50 0 FHAARO O=C(c1cc(C2CC2)on1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000242339050 571111169 /nfs/dbraw/zinc/11/11/69/571111169.db2.gz ZELWIXISQVUZJQ-UYAOXDASSA-N 1 0 365.477 3.679 50 0 FHAARO Cc1ccc(-c2n[nH]cc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000072328966 571112525 /nfs/dbraw/zinc/11/25/25/571112525.db2.gz GRJDPTBKOPCFJC-UHFFFAOYSA-N 1 0 374.488 3.780 50 0 FHAARO Cc1ccc(NC(=O)CC[N@H+]2CCN(C)[C@H](c3ccccc3)C2)c(C)c1 ZINC000244716213 571114989 /nfs/dbraw/zinc/11/49/89/571114989.db2.gz LKQMHEODPDJGSY-NRFANRHFSA-N 1 0 351.494 3.621 50 0 FHAARO C[N@H+](CCC(=O)Nc1ccc2c(c1)CCC2)Cc1cc(C(C)(C)C)n[nH]1 ZINC000244718780 571115374 /nfs/dbraw/zinc/11/53/74/571115374.db2.gz LQPZBQITNXESPF-UHFFFAOYSA-N 1 0 354.498 3.657 50 0 FHAARO C[C@@H](Cc1cnccn1)N(C)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000244764140 571116271 /nfs/dbraw/zinc/11/62/71/571116271.db2.gz PBZYNXNMYDUUPI-SFHVURJKSA-N 1 0 366.509 3.556 50 0 FHAARO CN1CC[N@H+](C)[C@@H](CC(=O)N(CCC2=CCCCC2)Cc2ccccc2)C1 ZINC000244874908 571118659 /nfs/dbraw/zinc/11/86/59/571118659.db2.gz XJKOAXFJISZWBR-QFIPXVFZSA-N 1 0 369.553 3.542 50 0 FHAARO Cc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2Cc3ccccc3CN2C)cc1C ZINC000244898921 571119891 /nfs/dbraw/zinc/11/98/91/571119891.db2.gz ZDYWKXGVLXOIPQ-JOCHJYFZSA-N 1 0 365.521 3.621 50 0 FHAARO CCOc1ccc(-c2nc(C)c(C(=O)N3CCC([NH+](C)C)CC3)s2)cc1 ZINC000072027816 571126043 /nfs/dbraw/zinc/12/60/43/571126043.db2.gz GNWGEUNVONUUCJ-UHFFFAOYSA-N 1 0 373.522 3.683 50 0 FHAARO CCOCCC[NH2+]Cc1nn(Cc2cccc(C)c2)nc1-c1ccccc1 ZINC000247932622 571126562 /nfs/dbraw/zinc/12/65/62/571126562.db2.gz QYMHXJYWRAYGJK-UHFFFAOYSA-N 1 0 364.493 3.818 50 0 FHAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)NC3CCCCC3)C2)nc2ccccc21 ZINC000249685594 571128917 /nfs/dbraw/zinc/12/89/17/571128917.db2.gz FXYZAMVGGZOEIL-QGZVFWFLSA-N 1 0 368.525 3.717 50 0 FHAARO Cc1nc2ccccn2c1C[N@H+](C)CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000252483233 571131925 /nfs/dbraw/zinc/13/19/25/571131925.db2.gz DXTXVIWVIKYJJU-UHFFFAOYSA-N 1 0 362.477 3.592 50 0 FHAARO Cc1ccccc1[C@]1(O)CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000252485265 571132240 /nfs/dbraw/zinc/13/22/40/571132240.db2.gz GPVRTBNXHUOOCB-FQEVSTJZSA-N 1 0 358.869 3.571 50 0 FHAARO CCOc1cc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc(Cl)c1OC ZINC000025261789 571142069 /nfs/dbraw/zinc/14/20/69/571142069.db2.gz UZCQNXGLQDJENB-CQSZACIVSA-N 1 0 363.841 3.677 50 0 FHAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]CC(C)C)cc1 ZINC000012915329 571144731 /nfs/dbraw/zinc/14/47/31/571144731.db2.gz FXLZHGGSHNDVCQ-OAHLLOKOSA-N 1 0 369.465 3.520 50 0 FHAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000012918157 571144816 /nfs/dbraw/zinc/14/48/16/571144816.db2.gz PSPBAPPKMZWSEN-MGPUTAFESA-N 1 0 356.441 3.849 50 0 FHAARO O=C(NCc1ccccc1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000012924207 571145553 /nfs/dbraw/zinc/14/55/53/571145553.db2.gz KPCLATRVPMJMSW-UHFFFAOYSA-N 1 0 359.473 3.763 50 0 FHAARO CSc1ccc2cc(C[N@@H+]3CCC[C@@H]3c3ccccn3)c(=O)[nH]c2c1 ZINC000067880030 571150861 /nfs/dbraw/zinc/15/08/61/571150861.db2.gz GKZNHJVNQCNWSY-LJQANCHMSA-N 1 0 351.475 3.982 50 0 FHAARO CN(CC[NH+]1CCCCCC1)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067881492 571151097 /nfs/dbraw/zinc/15/10/97/571151097.db2.gz PIRXVYQMAJBNRN-UHFFFAOYSA-N 1 0 363.509 3.704 50 0 FHAARO Cn1cc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)c2ccccc21 ZINC000068605847 571153413 /nfs/dbraw/zinc/15/34/13/571153413.db2.gz FLUWJJHKMWWXIU-UHFFFAOYSA-N 1 0 360.461 3.658 50 0 FHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccccc4)ccc3n2)CC1 ZINC000033084665 571154605 /nfs/dbraw/zinc/15/46/05/571154605.db2.gz DTYZYPJDINIPEJ-UHFFFAOYSA-N 1 0 374.488 3.937 50 0 FHAARO O=C(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1)NCc1cccs1 ZINC000075107786 571155551 /nfs/dbraw/zinc/15/55/51/571155551.db2.gz XWEQHUNSEYXIGS-AZUAARDMSA-N 1 0 372.534 3.733 50 0 FHAARO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000075110418 571156126 /nfs/dbraw/zinc/15/61/26/571156126.db2.gz FLIAMOHAZDJUPX-BSEYFRJRSA-N 1 0 366.914 3.561 50 0 FHAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)c2cc3ccccn3c2)CC1 ZINC000033138743 571158041 /nfs/dbraw/zinc/15/80/41/571158041.db2.gz ATPVECYERXSCDP-UHFFFAOYSA-N 1 0 361.489 3.890 50 0 FHAARO Fc1ccc(/C=C/CN2CC[NH+](CCOCc3ccc(F)cc3)CC2)cc1 ZINC000075270664 571158895 /nfs/dbraw/zinc/15/88/95/571158895.db2.gz WDQYGKQTXAOIKK-OWOJBTEDSA-N 1 0 372.459 3.812 50 0 FHAARO O=C(c1cc2ccccc2s1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575605271 571163413 /nfs/dbraw/zinc/16/34/13/571163413.db2.gz CHAIZJWUXMJCTC-UHFFFAOYSA-N 1 0 360.548 3.945 50 0 FHAARO CC[C@@H]1C[N@H+](Cc2c(C)nn(CC)c2C)CCC(=O)N1Cc1ccccc1 ZINC000071708001 571163521 /nfs/dbraw/zinc/16/35/21/571163521.db2.gz JTVZMBCDDPGEKQ-HXUWFJFHSA-N 1 0 368.525 3.533 50 0 FHAARO [NH3+]C1(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)CCC1 ZINC000071745304 571164305 /nfs/dbraw/zinc/16/43/05/571164305.db2.gz LUEQYTNVWBKMLP-AWEZNQCLSA-N 1 0 354.416 3.758 50 0 FHAARO CN(Cc1cccc2ncccc12)C(=O)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000071746933 571164362 /nfs/dbraw/zinc/16/43/62/571164362.db2.gz QACHKRRSDJGBEF-QGZVFWFLSA-N 1 0 351.475 3.993 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2cncc(F)c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071750430 571164585 /nfs/dbraw/zinc/16/45/85/571164585.db2.gz NSQUWYBTLXTBSN-FQEVSTJZSA-N 1 0 373.447 3.733 50 0 FHAARO CCc1nccn1CC[N@@H+]1CCC[C@@H](C(=O)c2ccc(SC)cc2)C1 ZINC000071754476 571165283 /nfs/dbraw/zinc/16/52/83/571165283.db2.gz WVMDJNGUMROVRY-QGZVFWFLSA-N 1 0 357.523 3.762 50 0 FHAARO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2ccc(Cn3ccnc3)cn2)c1 ZINC000071775523 571166565 /nfs/dbraw/zinc/16/65/65/571166565.db2.gz ODZVFRXDRGRNOT-HXUWFJFHSA-N 1 0 362.477 3.774 50 0 FHAARO CCCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000005946340 571169123 /nfs/dbraw/zinc/16/91/23/571169123.db2.gz CJHFCZYNSGYURP-UHFFFAOYSA-N 1 0 367.493 3.870 50 0 FHAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)CSCC4)CC1 ZINC000072132122 571170972 /nfs/dbraw/zinc/17/09/72/571170972.db2.gz VQBJHVGUTLVTJM-OAHLLOKOSA-N 1 0 357.523 3.514 50 0 FHAARO CC(C)([NH3+])C(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000072143096 571172095 /nfs/dbraw/zinc/17/20/95/571172095.db2.gz APUUSSGQYRMAIJ-KRWDZBQOSA-N 1 0 366.461 3.638 50 0 FHAARO O=C(c1ccc([C@H]2CC[NH2+]C2)cc1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000072144380 571172451 /nfs/dbraw/zinc/17/24/51/571172451.db2.gz SVFYJTVRWHDLPH-NRFANRHFSA-N 1 0 358.485 3.964 50 0 FHAARO O=C(c1cccc2ncccc21)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000072150443 571174321 /nfs/dbraw/zinc/17/43/21/571174321.db2.gz STGZZULSNOACIU-FQEVSTJZSA-N 1 0 371.484 3.898 50 0 FHAARO COc1cccc([C@H]2CN(C(=O)CC3CCCC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072167269 571176938 /nfs/dbraw/zinc/17/69/38/571176938.db2.gz MXYHKNOQLSXVSQ-YMPZKCBVSA-N 1 0 368.521 3.664 50 0 FHAARO COc1coc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)cc1=O ZINC000072168642 571177078 /nfs/dbraw/zinc/17/70/78/571177078.db2.gz KZFRVWHDIJFBPX-AWEZNQCLSA-N 1 0 363.404 3.771 50 0 FHAARO COc1ccc(-c2ccc(C(=O)N[C@H]3CC[C@H]3[NH2+]C3CCCC3)o2)cc1 ZINC000072169480 571177266 /nfs/dbraw/zinc/17/72/66/571177266.db2.gz METYPRVTNFXXJB-MSOLQXFVSA-N 1 0 354.450 3.748 50 0 FHAARO COc1c[nH]c(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)cc1=O ZINC000072169971 571177376 /nfs/dbraw/zinc/17/73/76/571177376.db2.gz QXAANWRJOHGFDC-CQSZACIVSA-N 1 0 362.420 3.919 50 0 FHAARO CCc1nc2cc(-c3cc(O)cc(CC[C@@H]4CCCC[NH2+]4)c3)cnc2[nH]1 ZINC000072169352 571177393 /nfs/dbraw/zinc/17/73/93/571177393.db2.gz PNPGKXUGIAIPNP-KRWDZBQOSA-N 1 0 350.466 3.968 50 0 FHAARO CC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C(C)(C)C)sc2n1 ZINC000035509770 571179573 /nfs/dbraw/zinc/17/95/73/571179573.db2.gz GGRGKFUULZIZMD-UHFFFAOYSA-N 1 0 374.485 3.610 50 0 FHAARO C[C@H](OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000012550705 571179653 /nfs/dbraw/zinc/17/96/53/571179653.db2.gz XVFLPTFHXKTVFW-LAUBAEHRSA-N 1 0 374.912 3.601 50 0 FHAARO C[NH+](C)C[C@@H]1CSCCCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000090608933 571179808 /nfs/dbraw/zinc/17/98/08/571179808.db2.gz KEEUIFJUXYSBAB-CQSZACIVSA-N 1 0 361.433 3.606 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 ZINC000013011233 571188530 /nfs/dbraw/zinc/18/85/30/571188530.db2.gz CSNPDIOFWORERT-UYAOXDASSA-N 1 0 354.519 3.903 50 0 FHAARO CNc1ccnc(N[C@@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000072408978 571191367 /nfs/dbraw/zinc/19/13/67/571191367.db2.gz JOGUNXYPNGAJKF-LJQANCHMSA-N 1 0 353.514 3.793 50 0 FHAARO O=C(CCc1conc1-c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000075510086 571191866 /nfs/dbraw/zinc/19/18/66/571191866.db2.gz NFBNFUWHWNFLFK-UHFFFAOYSA-N 1 0 367.493 3.751 50 0 FHAARO Cc1cccn2cc(CNC(=O)c3ccc([C@@H](C)[NH+]4CCCCC4)o3)nc12 ZINC000299757851 571192512 /nfs/dbraw/zinc/19/25/12/571192512.db2.gz KNWYMXJHWYCMLY-MRXNPFEDSA-N 1 0 366.465 3.713 50 0 FHAARO c1ccc([C@@H]2C[C@H](c3noc(CCc4ccncc4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299762260 571193767 /nfs/dbraw/zinc/19/37/67/571193767.db2.gz NHJPFWPGSAQKOH-ZCNNSNEGSA-N 1 0 360.461 3.943 50 0 FHAARO CCCNc1ncc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cn1 ZINC000072428198 571194733 /nfs/dbraw/zinc/19/47/33/571194733.db2.gz DSAABTQGWHBVRX-INIZCTEOSA-N 1 0 350.470 3.554 50 0 FHAARO C[C@@H](C1CCN(Cc2c(F)ccc(Cl)c2F)CC1)[NH+]1CCOCC1 ZINC000072427952 571194902 /nfs/dbraw/zinc/19/49/02/571194902.db2.gz XSDGKNLPPPPSHH-ZDUSSCGKSA-N 1 0 358.860 3.551 50 0 FHAARO COc1ccc(CC[NH3+])cc1-c1cc(NCc2ccccn2)nc2[nH]ccc21 ZINC000072432021 571195664 /nfs/dbraw/zinc/19/56/64/571195664.db2.gz UDHBBVYRDPFQDA-UHFFFAOYSA-N 1 0 373.460 3.747 50 0 FHAARO Cc1noc(C)c1Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299772297 571195972 /nfs/dbraw/zinc/19/59/72/571195972.db2.gz XQLSVTUOPIMVSF-OTWHNJEPSA-N 1 0 364.449 3.958 50 0 FHAARO CCc1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)no1 ZINC000299774052 571196473 /nfs/dbraw/zinc/19/64/73/571196473.db2.gz FMDIYXWYDCEOOA-JQHSSLGASA-N 1 0 350.422 3.980 50 0 FHAARO Cc1ccsc1[C@@H](CNC(=O)c1cccc(-c2ncccn2)c1)[NH+](C)C ZINC000299776309 571196947 /nfs/dbraw/zinc/19/69/47/571196947.db2.gz ADNKIJJVCIVUHG-QGZVFWFLSA-N 1 0 366.490 3.546 50 0 FHAARO COc1ccccc1C[N@H+]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000299778182 571197041 /nfs/dbraw/zinc/19/70/41/571197041.db2.gz FUSPQYBZHDTORZ-UHFFFAOYSA-N 1 0 358.869 3.583 50 0 FHAARO CN(Cc1ccccc1C[NH+](C)C)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072457403 571197644 /nfs/dbraw/zinc/19/76/44/571197644.db2.gz ANSWUYGYMSJISE-UHFFFAOYSA-N 1 0 368.521 3.724 50 0 FHAARO Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(C)n1C ZINC000299779462 571197671 /nfs/dbraw/zinc/19/76/71/571197671.db2.gz RXDQUCUYXCFCTA-FQEVSTJZSA-N 1 0 357.473 3.738 50 0 FHAARO Cc1cccc2cc(C[N@@H+]3CCNC(=O)CC3)c(-c3cccs3)nc12 ZINC000072469185 571198338 /nfs/dbraw/zinc/19/83/38/571198338.db2.gz SYHLFVXXOBVONT-UHFFFAOYSA-N 1 0 351.475 3.594 50 0 FHAARO O=C([O-])CC[C@H]1CN(Cc2ccc3ccccc3c2)CC[C@H]1[NH+]1CCCC1 ZINC000299783217 571198654 /nfs/dbraw/zinc/19/86/54/571198654.db2.gz ZTFWKPFSPYHXPM-FCHUYYIVSA-N 1 0 366.505 3.991 50 0 FHAARO Clc1ccccc1C1(c2ccnc(-c3cccnc3)n2)CC[NH2+]CC1 ZINC000072477616 571199287 /nfs/dbraw/zinc/19/92/87/571199287.db2.gz XFHCNYAAFDBEHB-UHFFFAOYSA-N 1 0 350.853 3.862 50 0 FHAARO Cc1cc(COc2ccccc2)oc1C(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH+](C)C ZINC000299786353 571199412 /nfs/dbraw/zinc/19/94/12/571199412.db2.gz WVQBYLLAHKGXON-YRWFTTLQSA-N 1 0 368.477 3.579 50 0 FHAARO CN(Cc1cc(C2CC2)on1)C(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000299788510 571200204 /nfs/dbraw/zinc/20/02/04/571200204.db2.gz QFDMMZBJBXGIDZ-UHFFFAOYSA-N 1 0 367.493 3.813 50 0 FHAARO O=C(Nc1cccc2ccccc21)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000299790093 571200325 /nfs/dbraw/zinc/20/03/25/571200325.db2.gz ATTOLVUKSHMWEG-GOSISDBHSA-N 1 0 353.466 3.605 50 0 FHAARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1cc(C(F)(F)F)ccc1Cl)C2 ZINC000299789862 571200502 /nfs/dbraw/zinc/20/05/02/571200502.db2.gz APMNQQFJALQHQD-HBYGRHMLSA-N 1 0 360.807 3.771 50 0 FHAARO CSc1ccc2c(c1)CCN(C(=O)c1ccc(C[NH+]3CCCC3)o1)C2 ZINC000299791305 571200785 /nfs/dbraw/zinc/20/07/85/571200785.db2.gz DDHRUZAJUGWFJQ-UHFFFAOYSA-N 1 0 356.491 3.796 50 0 FHAARO CSc1ccccc1NC(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000299792010 571200975 /nfs/dbraw/zinc/20/09/75/571200975.db2.gz GKAMNGSEXYYTLX-MRXNPFEDSA-N 1 0 363.527 3.517 50 0 FHAARO C[N@@H+]1CC[C@H](Nc2nc(-c3ccccn3)nc3c2CCC3)[C@@H]1c1ccccc1 ZINC000089375152 571201443 /nfs/dbraw/zinc/20/14/43/571201443.db2.gz ARNPQFIPIHRIGQ-FPOVZHCZSA-N 1 0 371.488 3.885 50 0 FHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(Cl)c(Cl)[nH]1 ZINC000097037071 571201937 /nfs/dbraw/zinc/20/19/37/571201937.db2.gz UYZQLGBPACKWQD-HNNXBMFYSA-N 1 0 352.265 3.888 50 0 FHAARO CCCc1cc(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)[nH]n1 ZINC000299796037 571202063 /nfs/dbraw/zinc/20/20/63/571202063.db2.gz NALZOGIZBXKUTQ-HBMCJLEFSA-N 1 0 366.509 3.546 50 0 FHAARO COc1ccc(OC)c(-c2cccc(C(=O)NCC(C)(C)C[NH+](C)C)c2)c1 ZINC000299795979 571202287 /nfs/dbraw/zinc/20/22/87/571202287.db2.gz PGGIUTZKPIYLIT-UHFFFAOYSA-N 1 0 370.493 3.688 50 0 FHAARO c1csc(-c2ncc(CN3CCC[C@@H](C[NH+]4CCCCC4)C3)cn2)c1 ZINC000077286620 571206275 /nfs/dbraw/zinc/20/62/75/571206275.db2.gz MGTOYSLGFZSLIU-KRWDZBQOSA-N 1 0 356.539 3.903 50 0 FHAARO CCc1nc(C)c(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)o1 ZINC000077323871 571207909 /nfs/dbraw/zinc/20/79/09/571207909.db2.gz UBIBQUKRZDWEME-SFHVURJKSA-N 1 0 355.482 3.974 50 0 FHAARO Cc1ccc(CNc2cccc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)c2)s1 ZINC000534673140 571209108 /nfs/dbraw/zinc/20/91/08/571209108.db2.gz XVXSSMMCSIVPGY-OAQYLSRUSA-N 1 0 369.534 3.884 50 0 FHAARO c1sc(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)nc1-c1ccccc1 ZINC000077458125 571212201 /nfs/dbraw/zinc/21/22/01/571212201.db2.gz SGYCQAQQEQBVKP-QGZVFWFLSA-N 1 0 358.507 3.670 50 0 FHAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3nc(C)n4ccccc34)C2)c1 ZINC000077506125 571214409 /nfs/dbraw/zinc/21/44/09/571214409.db2.gz AZBZFONMMUDVMB-MRXNPFEDSA-N 1 0 351.450 3.649 50 0 FHAARO Cc1c[nH+]ccc1N1CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000426358237 571214692 /nfs/dbraw/zinc/21/46/92/571214692.db2.gz GRJCGYPNXOBZGO-HNNXBMFYSA-N 1 0 358.873 3.636 50 0 FHAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3c(C)nc4ccccn43)C2)c1 ZINC000077538652 571215023 /nfs/dbraw/zinc/21/50/23/571215023.db2.gz AUMZRWQXLFSYMR-INIZCTEOSA-N 1 0 351.450 3.649 50 0 FHAARO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000023115076 571216357 /nfs/dbraw/zinc/21/63/57/571216357.db2.gz LISXGLNYRLQXAL-LJQANCHMSA-N 1 0 374.912 3.519 50 0 FHAARO Cc1ccc(CN(C(=O)Cc2cccc(OCC[NH3+])c2)C2CCCC2)s1 ZINC000426420619 571222804 /nfs/dbraw/zinc/22/28/04/571222804.db2.gz KYXHBHTYUSRBMP-UHFFFAOYSA-N 1 0 372.534 3.908 50 0 FHAARO COc1cc(C)c(-c2cccc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)c2)cc1C ZINC000426438747 571225338 /nfs/dbraw/zinc/22/53/38/571225338.db2.gz BVVGMJVMAHEETL-IBGZPJMESA-N 1 0 352.478 3.755 50 0 FHAARO CCOc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)cc1Cl ZINC000426442719 571225765 /nfs/dbraw/zinc/22/57/65/571225765.db2.gz UHZDMCIXXZGUGF-ZYSHUDEJSA-N 1 0 353.890 3.897 50 0 FHAARO CO[C@]12CC[N@H+](Cc3ccc(F)cc3F)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426486178 571227736 /nfs/dbraw/zinc/22/77/36/571227736.db2.gz ZRZMNTDDHXTDCZ-HFSMHLIXSA-N 1 0 374.431 3.951 50 0 FHAARO COc1ccccc1/C=C/C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082097155 571228087 /nfs/dbraw/zinc/22/80/87/571228087.db2.gz OKSRWRFXENOQKY-SOFGYWHQSA-N 1 0 363.461 3.607 50 0 FHAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cnoc1-c1ccccc1 ZINC000426497601 571228698 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CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(C)c3nccn3c2)cc1 ZINC000584890547 571314473 /nfs/dbraw/zinc/31/44/73/571314473.db2.gz PZRXWJGBMJIHDI-HXUWFJFHSA-N 1 0 362.477 3.524 50 0 FHAARO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1cc(C)ccn1 ZINC000584890333 571314532 /nfs/dbraw/zinc/31/45/32/571314532.db2.gz AHQFOMDNYAHTRQ-IBGZPJMESA-N 1 0 354.498 3.615 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(C)c3nccn3c2)cc1 ZINC000584890546 571314542 /nfs/dbraw/zinc/31/45/42/571314542.db2.gz PZRXWJGBMJIHDI-FQEVSTJZSA-N 1 0 362.477 3.524 50 0 FHAARO Cc1nc(C(=O)NCCCn2ccnc2)c(-c2ccccc2Cl)s1 ZINC000252489210 571319645 /nfs/dbraw/zinc/31/96/45/571319645.db2.gz JKUCKANQDKVPLC-UHFFFAOYSA-N 1 0 360.870 3.789 50 0 FHAARO CC1CCN(c2nnc(-n3cccc3C[NH2+]C3CCCCC3)s2)CC1 ZINC000020942743 571332042 /nfs/dbraw/zinc/33/20/42/571332042.db2.gz JRUNWPYOZVHHNC-UHFFFAOYSA-N 1 0 359.543 3.987 50 0 FHAARO CC1CC[NH+](Cc2cccn2-c2nnc(N3CCCCCC3)s2)CC1 ZINC000020942915 571332053 /nfs/dbraw/zinc/33/20/53/571332053.db2.gz DFQVQTANKDUDEK-UHFFFAOYSA-N 1 0 359.543 3.941 50 0 FHAARO CS[C@H]1CN(Cc2cc(F)ccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000095941528 571332365 /nfs/dbraw/zinc/33/23/65/571332365.db2.gz FOYRNYWBYRZHIU-HOTGVXAUSA-N 1 0 373.335 3.600 50 0 FHAARO Cc1noc(C)c1CN(C)[C@H]1CCCC[C@@H]1[N@H+](C)Cc1c(C)noc1C ZINC000095995923 571333620 /nfs/dbraw/zinc/33/36/20/571333620.db2.gz OESRMVNJBNZROF-PMACEKPBSA-N 1 0 360.502 3.771 50 0 FHAARO COc1ccc(C2(C[NH2+][C@@H]3CCN(C(C)=O)Cc4ccccc43)CC2)cc1 ZINC000095995730 571333643 /nfs/dbraw/zinc/33/36/43/571333643.db2.gz RCKPVUZUFKPCHP-JOCHJYFZSA-N 1 0 364.489 3.810 50 0 FHAARO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2N(N(C)C)C1=O ZINC000096027262 571334069 /nfs/dbraw/zinc/33/40/69/571334069.db2.gz ZGTRLGUTSKWITJ-QFIPXVFZSA-N 1 0 351.494 3.528 50 0 FHAARO O=C(NCc1ccc(Cl)cc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687729 571337880 /nfs/dbraw/zinc/33/78/80/571337880.db2.gz UGYLCLYKXXDHNL-FQEVSTJZSA-N 1 0 369.896 3.682 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2F)[NH+](C)C)cc1 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374.488 3.595 50 0 FHAARO CCn1c2ccccc2nc1CN1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000023310496 940153722 /nfs/dbraw/zinc/15/37/22/940153722.db2.gz QTOCWKVSWMJYCI-QFIPXVFZSA-N 1 0 352.526 3.754 50 0 FHAARO CCCCc1nc(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)c[nH]1 ZINC000023375058 940296764 /nfs/dbraw/zinc/29/67/64/940296764.db2.gz GKNIWESZSXBLPR-NRFANRHFSA-N 1 0 352.526 3.775 50 0 FHAARO CCCn1cc(C[NH2+]CC2(N3CCCCC3)Cc3ccccc3C2)c(C)n1 ZINC000023375469 940297780 /nfs/dbraw/zinc/29/77/80/940297780.db2.gz RIZLIFTWZSOIJP-UHFFFAOYSA-N 1 0 366.553 3.715 50 0 FHAARO Cc1ccc([C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)C2)c(C)c1 ZINC000333288853 945318888 /nfs/dbraw/zinc/31/88/88/945318888.db2.gz IZEAIADORFZKPZ-SJLPKXTDSA-N 1 0 364.493 3.536 50 0 FHAARO CC(C)CC[N@@H+]1CCOc2ccc(C(=O)NCc3ccccc3F)cc2C1 ZINC000257183534 942577290 /nfs/dbraw/zinc/57/72/90/942577290.db2.gz HPFWEBZLEPQLCF-UHFFFAOYSA-N 1 0 370.468 3.996 50 0 FHAARO Cc1cnc(-c2cccnc2)n1[C@H]1CCC[N@H+](Cc2scnc2C)C1 ZINC000257195073 942681691 /nfs/dbraw/zinc/68/16/91/942681691.db2.gz VIDGCKBYNOGZFU-KRWDZBQOSA-N 1 0 353.495 3.856 50 0 FHAARO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000139834633 943499849 /nfs/dbraw/zinc/49/98/49/943499849.db2.gz QBUGBRAZGQNADI-GFCCVEGCSA-N 1 0 356.388 3.637 50 0 FHAARO Cc1ccoc1C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000014881816 944007678 /nfs/dbraw/zinc/00/76/78/944007678.db2.gz NAJZXVMJPZGBJZ-LJQANCHMSA-N 1 0 368.477 3.532 50 0 FHAARO O=C(CCCc1c[nH]c2ccccc12)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000888088611 948003611 /nfs/dbraw/zinc/00/36/11/948003611.db2.gz IELOUCYTSDBCJI-RXVVDRJESA-N 1 0 353.510 3.871 50 0 FHAARO O=C(CCCc1c[nH]c2ccccc12)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000888088609 948004032 /nfs/dbraw/zinc/00/40/32/948004032.db2.gz IELOUCYTSDBCJI-GHTZIAJQSA-N 1 0 353.510 3.871 50 0 FHAARO Cc1cccc2c(CCNC(=O)c3ccc(C[NH+]4CCCC4)o3)c[nH]c21 ZINC000299798155 223102869 /nfs/dbraw/zinc/10/28/69/223102869.db2.gz QDECARZCAJHNPU-UHFFFAOYSA-N 1 0 351.450 3.638 50 0 FHAARO COc1ccc(-c2ccccc2)cc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000299760450 203755353 /nfs/dbraw/zinc/75/53/53/203755353.db2.gz IAYLJBZTWIXJED-JOCHJYFZSA-N 1 0 365.477 3.970 50 0 FHAARO CC1(C)CC2=C(CC[C@@]3(O2)C(=O)CC(C)(C)[N+](=O)C3(C)C)C(C)(C)N1O ZINC000334157330 203863607 /nfs/dbraw/zinc/86/36/07/203863607.db2.gz YGXSTHUBXOZEAK-HXUWFJFHSA-N 1 0 365.494 3.751 50 0 FHAARO O=C(c1cccc(Cl)c1)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515230 204042049 /nfs/dbraw/zinc/04/20/49/204042049.db2.gz XZLZUIHRWOUHJG-UHFFFAOYSA-N 1 0 371.864 3.910 50 0 FHAARO COc1ccc(CC(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)cc1 ZINC000010330383 204009264 /nfs/dbraw/zinc/00/92/64/204009264.db2.gz DXMXORQXAMKKEF-JOCHJYFZSA-N 1 0 362.473 3.810 50 0 FHAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)c1ccc(F)c(F)c1 ZINC000002514757 204042505 /nfs/dbraw/zinc/04/25/05/204042505.db2.gz QCXMQNQKPXVPCB-UHFFFAOYSA-N 1 0 373.399 3.535 50 0 FHAARO Cn1c(-c2ccc(C[NH+](C)C)cc2)cc2onc(-c3ccccc3)c2c1=O ZINC000001578606 204013862 /nfs/dbraw/zinc/01/38/62/204013862.db2.gz NOHFHPIPRSKJQF-UHFFFAOYSA-N 1 0 359.429 3.922 50 0 in-vitro FHAARO O=C(c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1)c1ccc(F)c(F)c1 ZINC000002515257 204042822 /nfs/dbraw/zinc/04/28/22/204042822.db2.gz VSFAWFHTJXZYFQ-UHFFFAOYSA-N 1 0 373.399 3.535 50 0 FHAARO C[C@H](C[N@H+](C)C(C)(C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001837316 204021307 /nfs/dbraw/zinc/02/13/07/204021307.db2.gz XCLBRBKORPURBG-QGZVFWFLSA-N 1 0 355.478 3.585 50 0 FHAARO Ic1ccc(OCCCCC[NH+]2CCCC2)cc1 ZINC000002880582 204065912 /nfs/dbraw/zinc/06/59/12/204065912.db2.gz GDWPWUBHLIKOCN-UHFFFAOYSA-N 1 0 359.251 3.936 50 0 FHAARO Cc1cccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(OC(F)F)cc3)C2)c1 ZINC000002966470 204071218 /nfs/dbraw/zinc/07/12/18/204071218.db2.gz PROPKMANOPGBSD-NRFANRHFSA-N 1 0 373.423 3.857 50 0 FHAARO COc1ccccc1N1C[C@](O)(c2ccc(C)cc2)[N+]2=C1CCCCC2 ZINC000002974487 204071565 /nfs/dbraw/zinc/07/15/65/204071565.db2.gz NHCIYALWHCUOFT-QFIPXVFZSA-N 1 0 351.470 3.654 50 0 FHAARO CCc1cccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccccn2)c1 ZINC000003025929 204074918 /nfs/dbraw/zinc/07/49/18/204074918.db2.gz ROIUUUGLOFVXFW-MRXNPFEDSA-N 1 0 356.539 3.966 50 0 FHAARO O[C@]1(c2ccc(OC(F)F)cc2)CN2CCCCC2=[N+]1c1ccccc1 ZINC000003103769 204077784 /nfs/dbraw/zinc/07/77/84/204077784.db2.gz JYNWMVOJFIDLRD-FQEVSTJZSA-N 1 0 359.396 3.548 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)CCC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000003331607 204092170 /nfs/dbraw/zinc/09/21/70/204092170.db2.gz OADABBGGGKUEFF-AWEZNQCLSA-N 1 0 364.898 3.784 50 0 FHAARO O=C(COc1ccc2c(c1)CCC2)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000002634958 204047977 /nfs/dbraw/zinc/04/79/77/204047977.db2.gz XMEISIYBKSUJQJ-UHFFFAOYSA-N 1 0 370.537 3.859 50 0 FHAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000002828213 204061080 /nfs/dbraw/zinc/06/10/80/204061080.db2.gz ZFMFVZRTIKCJIY-UHFFFAOYSA-N 1 0 366.505 3.956 50 0 FHAARO CCOC(C(=O)OCCC[NH+]1CCCC1)(c1ccccc1)c1ccccc1 ZINC000004005599 204116471 /nfs/dbraw/zinc/11/64/71/204116471.db2.gz BICXFCUUWBJXJA-UHFFFAOYSA-N 1 0 367.489 3.996 50 0 FHAARO S=C(NCCc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000003335614 204092910 /nfs/dbraw/zinc/09/29/10/204092910.db2.gz LAZFFFRIVAOXRY-GOSISDBHSA-N 1 0 357.523 3.513 50 0 FHAARO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1O ZINC000004554001 204147385 /nfs/dbraw/zinc/14/73/85/204147385.db2.gz ICDMGXTXVZYCDH-QGZVFWFLSA-N 1 0 373.478 3.658 50 0 FHAARO CCCCCOCc1cc(C(=O)CC)ccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000004566621 204148069 /nfs/dbraw/zinc/14/80/69/204148069.db2.gz AMHXYRAWGNRCCF-IBGZPJMESA-N 1 0 365.514 3.724 50 0 FHAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Br)c1OC ZINC000004657568 204153348 /nfs/dbraw/zinc/15/33/48/204153348.db2.gz LGRLYQDRLHINNC-UHFFFAOYSA-N 1 0 354.219 3.895 50 0 FHAARO COc1cc(C(=O)O[C@H](C)C[NH+]2[C@H](C)CCC[C@H]2C)cc(OC)c1OC ZINC000004454498 204140104 /nfs/dbraw/zinc/14/01/04/204140104.db2.gz IFISOMHXZPOZTF-RBSFLKMASA-N 1 0 365.470 3.521 50 0 FHAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCOc2ccccc2)CC1 ZINC000004547481 204145086 /nfs/dbraw/zinc/14/50/86/204145086.db2.gz UHGVOIJOFSZPSF-UHFFFAOYSA-N 1 0 353.462 3.662 50 0 FHAARO COc1ccccc1Nc1ncnc2c1c(C)c(C)n2CCC[NH+](C)C ZINC000005345488 204204058 /nfs/dbraw/zinc/20/40/58/204204058.db2.gz OCCMEOCPLGLVGC-UHFFFAOYSA-N 1 0 353.470 3.752 50 0 FHAARO CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000005525134 204213128 /nfs/dbraw/zinc/21/31/28/204213128.db2.gz UDJCJDFCXCKPIX-FPOVZHCZSA-N 1 0 350.462 3.842 50 0 FHAARO COc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1cccs1 ZINC000005019669 204185372 /nfs/dbraw/zinc/18/53/72/204185372.db2.gz IDFQGCDNHLTXRF-UHFFFAOYSA-N 1 0 355.887 3.850 50 0 FHAARO Cc1ccc2[nH]c3c(ncn(CCC[NH+]4C[C@H](C)C[C@@H](C)C4)c3=O)c2c1 ZINC000005152208 204194555 /nfs/dbraw/zinc/19/45/55/204194555.db2.gz ZWMIOKQQIXEMDC-HZPDHXFCSA-N 1 0 352.482 3.554 50 0 FHAARO COc1ccc(-c2cc(C3(O)CC[NH+](Cc4ccccc4)CC3)on2)cc1 ZINC000006658057 204258405 /nfs/dbraw/zinc/25/84/05/204258405.db2.gz NKZCKRUUNKADHP-UHFFFAOYSA-N 1 0 364.445 3.834 50 0 FHAARO Clc1cccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c1 ZINC000006757223 204266796 /nfs/dbraw/zinc/26/67/96/204266796.db2.gz KPPWYGAYJVDEPJ-UHFFFAOYSA-N 1 0 359.886 3.588 50 0 FHAARO O=C(Nc1cccc(Br)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000006877280 204278760 /nfs/dbraw/zinc/27/87/60/204278760.db2.gz HYKCMOCNBDNCLM-UHFFFAOYSA-N 1 0 366.303 3.789 50 0 FHAARO COc1ccc([C@H](CNc2ccc(C(F)(F)F)cn2)[NH+](C)C)cc1OC ZINC000007813819 204307776 /nfs/dbraw/zinc/30/77/76/204307776.db2.gz BQPBBRXIRIRPQJ-AWEZNQCLSA-N 1 0 369.387 3.832 50 0 FHAARO C[NH+](C)Cc1ccccc1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000007923966 204311779 /nfs/dbraw/zinc/31/17/79/204311779.db2.gz UALVJNGZARXZGR-UHFFFAOYSA-N 1 0 360.885 3.875 50 0 FHAARO C[C@@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)N1CCCC1 ZINC000008312262 204326409 /nfs/dbraw/zinc/32/64/09/204326409.db2.gz BSVGMODSRUXWCO-XLIONFOSSA-N 1 0 361.489 3.900 50 0 FHAARO CC[NH+](CC)CCNc1ncnc2c1cnn2-c1cc(Cl)ccc1C ZINC000008583109 204335703 /nfs/dbraw/zinc/33/57/03/204335703.db2.gz RKHNSDPATFACDH-UHFFFAOYSA-N 1 0 358.877 3.531 50 0 FHAARO O=C(NCCC[NH+]1CCCCC1)c1sc2ncccc2c1-n1cccc1 ZINC000008610758 204336067 /nfs/dbraw/zinc/33/60/67/204336067.db2.gz BDXDJQFVJCGHEC-UHFFFAOYSA-N 1 0 368.506 3.693 50 0 FHAARO Cc1nn(CC(C)C)c(Cl)c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000008772304 204345453 /nfs/dbraw/zinc/34/54/53/204345453.db2.gz MPAQVRFBLGQZLT-INIZCTEOSA-N 1 0 362.905 3.534 50 0 FHAARO C[NH+](C)CCCNC(=O)C[C@@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000009576759 204374301 /nfs/dbraw/zinc/37/43/01/204374301.db2.gz XRTLUDMUVOHVAX-KRWDZBQOSA-N 1 0 360.885 3.636 50 0 FHAARO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(C)cc1 ZINC000008735587 204342002 /nfs/dbraw/zinc/34/20/02/204342002.db2.gz BZTPRRUOHZCEQW-LJQANCHMSA-N 1 0 365.477 3.567 50 0 FHAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000009882365 204384966 /nfs/dbraw/zinc/38/49/66/204384966.db2.gz RIYWHUBEMOYTCO-UHFFFAOYSA-N 1 0 374.488 3.672 50 0 FHAARO CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000010219467 204391306 /nfs/dbraw/zinc/39/13/06/204391306.db2.gz SZMXUMLHHUMEOC-UHFFFAOYSA-N 1 0 369.465 3.656 50 0 FHAARO COCCNC(=O)CCC1CC[NH+]([C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000012052478 204427677 /nfs/dbraw/zinc/42/76/77/204427677.db2.gz WPNKNFBNKBGEML-MRXNPFEDSA-N 1 0 366.933 3.526 50 0 FHAARO COc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc(OC)c1C ZINC000013018689 204520889 /nfs/dbraw/zinc/52/08/89/204520889.db2.gz IUTCMKBBMHRWIW-UHFFFAOYSA-N 1 0 368.477 3.538 50 0 FHAARO CCOC(=O)c1c(C)oc2ncnc(NCCC[N@H+]3[C@H](C)CCC[C@@H]3C)c21 ZINC000015727268 204617611 /nfs/dbraw/zinc/61/76/11/204617611.db2.gz BZVLZVQHRGFZNZ-OKILXGFUSA-N 1 0 374.485 3.773 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)C2=Cc3ccccc3OC2)cc1 ZINC000016110085 204631031 /nfs/dbraw/zinc/63/10/31/204631031.db2.gz BXDYEQJKKNQKQS-UHFFFAOYSA-N 1 0 350.462 3.621 50 0 FHAARO Cc1ccc(CNC(=O)N2CCC(C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000021718264 204758368 /nfs/dbraw/zinc/75/83/68/204758368.db2.gz UXLCDEYCHJPGKZ-OALUTQOASA-N 1 0 357.542 3.895 50 0 FHAARO CC(C)c1noc2ncc(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)cc21 ZINC000022682954 204784840 /nfs/dbraw/zinc/78/48/40/204784840.db2.gz LRGZKUXYVJLONQ-QGZVFWFLSA-N 1 0 370.428 3.518 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)COc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028289283 204879578 /nfs/dbraw/zinc/87/95/78/204879578.db2.gz WCYZSIQIILXVGS-FQEVSTJZSA-N 1 0 372.484 3.921 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1sc2ncccc2c1-n1c(C)ccc1C ZINC000033059922 204955403 /nfs/dbraw/zinc/95/54/03/204955403.db2.gz RDKXQDAWHUDPRT-UHFFFAOYSA-N 1 0 370.522 3.775 50 0 FHAARO COCCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036031002 205002502 /nfs/dbraw/zinc/00/25/02/205002502.db2.gz TVFQEWDAFGBRDK-LJQANCHMSA-N 1 0 363.885 3.618 50 0 FHAARO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COC(C)(C)C)c1OC ZINC000036097314 205002704 /nfs/dbraw/zinc/00/27/04/205002704.db2.gz PVZRREOTSVTBOX-GOSISDBHSA-N 1 0 367.530 3.728 50 0 FHAARO COCCC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccccc1C ZINC000036094993 205003022 /nfs/dbraw/zinc/00/30/22/205003022.db2.gz NDWDYZBYYDCTGO-OAQYLSRUSA-N 1 0 357.494 3.582 50 0 FHAARO COc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)Cc2ccccc2)c1 ZINC000036098213 205004247 /nfs/dbraw/zinc/00/42/47/205004247.db2.gz JINZRHUBILYDGR-HXUWFJFHSA-N 1 0 351.446 3.894 50 0 FHAARO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103022 205005710 /nfs/dbraw/zinc/00/57/10/205005710.db2.gz HOYHPUDPGOWWIF-HXUWFJFHSA-N 1 0 369.436 3.999 50 0 FHAARO C[C@@H]1c2cccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2O[C@H]1C ZINC000037195898 205024553 /nfs/dbraw/zinc/02/45/53/205024553.db2.gz DOEWPCLDVJVGFT-XYJFISCASA-N 1 0 350.462 3.575 50 0 FHAARO COC(=O)c1ccc(C[NH+]2CCC(COCc3ccc(F)cc3)CC2)o1 ZINC000075156569 205034915 /nfs/dbraw/zinc/03/49/15/205034915.db2.gz FLBYHFPPOAMGAW-UHFFFAOYSA-N 1 0 361.413 3.634 50 0 FHAARO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000078710477 205038122 /nfs/dbraw/zinc/03/81/22/205038122.db2.gz BELOGTHDXCETKJ-OXQOHEQNSA-N 1 0 360.523 3.985 50 0 FHAARO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000078710457 205038818 /nfs/dbraw/zinc/03/88/18/205038818.db2.gz BELOGTHDXCETKJ-JXFKEZNVSA-N 1 0 360.523 3.985 50 0 FHAARO O[C@@H]1CN(Cc2ccccc2-c2ccco2)CC[C@H]1[NH+]1CCCCCC1 ZINC000039380921 205044485 /nfs/dbraw/zinc/04/44/85/205044485.db2.gz QDPUVJULHGAULD-NHCUHLMSSA-N 1 0 354.494 3.758 50 0 FHAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1ccco1 ZINC000040025012 205050590 /nfs/dbraw/zinc/05/05/90/205050590.db2.gz TVEGQFNBKNJDMH-UHFFFAOYSA-N 1 0 352.438 3.543 50 0 FHAARO COc1ccc([C@H](CNc2nn3cc(C(C)(C)C)nc3s2)[NH+](C)C)cc1 ZINC000040039758 205050731 /nfs/dbraw/zinc/05/07/31/205050731.db2.gz GLYHOWDKKVYUKA-HNNXBMFYSA-N 1 0 373.526 3.812 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCc2nc3ccccc3s2)C1 ZINC000040118848 205057208 /nfs/dbraw/zinc/05/72/08/205057208.db2.gz SFRCPUJYFGJSAY-IYBDPMFKSA-N 1 0 359.539 3.713 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCCc1nc2ccccc2[nH]1 ZINC000040112648 205057571 /nfs/dbraw/zinc/05/75/71/205057571.db2.gz ZIEPJBAZPZSTCQ-QGZVFWFLSA-N 1 0 356.514 3.656 50 0 FHAARO COc1cccc(C[NH2+]CCCO)c1OCc1ccc(F)cc1Cl ZINC000040743676 205080574 /nfs/dbraw/zinc/08/05/74/205080574.db2.gz UHFWDZMPKJJYNI-UHFFFAOYSA-N 1 0 353.821 3.539 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1 ZINC000042207745 205094243 /nfs/dbraw/zinc/09/42/43/205094243.db2.gz AAUMXHNNBWWABE-UHFFFAOYSA-N 1 0 351.429 3.501 50 0 FHAARO O=c1c2cccc(Cl)c2ncn1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000042484232 205095730 /nfs/dbraw/zinc/09/57/30/205095730.db2.gz DICURKFUGNCSOD-UHFFFAOYSA-N 1 0 367.880 3.930 50 0 FHAARO CC(C)Oc1cccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044882664 205112555 /nfs/dbraw/zinc/11/25/55/205112555.db2.gz DMUCEPAJVIXNFP-UHFFFAOYSA-N 1 0 352.478 4.000 50 0 FHAARO O=C(NCCCc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044909287 205114677 /nfs/dbraw/zinc/11/46/77/205114677.db2.gz MLNSERLTTWVABJ-UHFFFAOYSA-N 1 0 354.469 3.787 50 0 FHAARO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000044912595 205114909 /nfs/dbraw/zinc/11/49/09/205114909.db2.gz ZPNGTIXPEGKEIE-UHFFFAOYSA-N 1 0 352.478 3.614 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000045463332 205122589 /nfs/dbraw/zinc/12/25/89/205122589.db2.gz FJJCEYFNLMHIEY-AWEZNQCLSA-N 1 0 369.456 3.769 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000045463335 205122606 /nfs/dbraw/zinc/12/26/06/205122606.db2.gz FJJCEYFNLMHIEY-CQSZACIVSA-N 1 0 369.456 3.769 50 0 FHAARO O=C(Nc1cccc(Cl)c1F)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045756739 205125354 /nfs/dbraw/zinc/12/53/54/205125354.db2.gz YYEQGKNWUNXQLV-UHFFFAOYSA-N 1 0 362.836 3.660 50 0 FHAARO COc1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1Cl ZINC000043331958 205103182 /nfs/dbraw/zinc/10/31/82/205103182.db2.gz ICVSOLMEDUUVEB-CQSZACIVSA-N 1 0 353.875 3.835 50 0 FHAARO COc1ccccc1NC(=O)C1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000052641793 205187280 /nfs/dbraw/zinc/18/72/80/205187280.db2.gz ZPSNMRGEGSYDPO-YLJYHZDGSA-N 1 0 374.525 3.941 50 0 FHAARO CCc1nnsc1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048354729 205159739 /nfs/dbraw/zinc/15/97/39/205159739.db2.gz FNXYIYYADVTGJA-GJZGRUSLSA-N 1 0 372.538 3.508 50 0 FHAARO CCOc1ccc(-c2noc(CN3CC[NH+](CCC(C)(C)C)CC3)n2)cc1 ZINC000048354583 205160127 /nfs/dbraw/zinc/16/01/27/205160127.db2.gz WTMJLSLGUBPPHH-UHFFFAOYSA-N 1 0 372.513 3.689 50 0 FHAARO Cc1ccc(-c2oncc2C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000085876419 205176535 /nfs/dbraw/zinc/17/65/35/205176535.db2.gz VHPPXSKSCSGNIX-PKOBYXMFSA-N 1 0 353.466 3.644 50 0 FHAARO CC(C)CCNC(=O)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000052043311 205183450 /nfs/dbraw/zinc/18/34/50/205183450.db2.gz XLYHTEJIAQYJST-UHFFFAOYSA-N 1 0 367.331 3.823 50 0 FHAARO CSc1ccccc1NC(=O)CC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000054427351 205200247 /nfs/dbraw/zinc/20/02/47/205200247.db2.gz BPRQCUBGOONTEX-UHFFFAOYSA-N 1 0 358.463 3.598 50 0 FHAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2N(C)C)C1 ZINC000054406195 205201086 /nfs/dbraw/zinc/20/10/86/205201086.db2.gz VKBNHXRZQXTXJM-WMZOPIPTSA-N 1 0 352.482 3.710 50 0 FHAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cccc(C)n3)C2)cc1 ZINC000055099268 205207476 /nfs/dbraw/zinc/20/74/76/205207476.db2.gz XHDUPSYTERWVQT-NRFANRHFSA-N 1 0 367.537 3.785 50 0 FHAARO OCc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)o1 ZINC000055183175 205209468 /nfs/dbraw/zinc/20/94/68/205209468.db2.gz XGJLPRKKSIGYEW-HSZRJFAPSA-N 1 0 368.521 3.693 50 0 FHAARO CCc1oc(C(=O)N(Cc2cncs2)C2CC2)cc1C[NH+](CC)CC ZINC000055309871 205214296 /nfs/dbraw/zinc/21/42/96/205214296.db2.gz WHJMNNDYFFMZKD-UHFFFAOYSA-N 1 0 361.511 3.945 50 0 FHAARO C[N@H+](Cc1cc(=O)n2ccccc2n1)C(c1ccccc1)c1ccccc1 ZINC000058032856 205249198 /nfs/dbraw/zinc/24/91/98/205249198.db2.gz HFESPBNWYXZGJF-UHFFFAOYSA-N 1 0 355.441 3.916 50 0 FHAARO Fc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000058166160 205252136 /nfs/dbraw/zinc/25/21/36/205252136.db2.gz MGTNBLMEXLEPLM-FGZHOGPDSA-N 1 0 354.469 3.864 50 0 FHAARO CC(=O)Nc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000058176722 205254706 /nfs/dbraw/zinc/25/47/06/205254706.db2.gz UDARDGYDBFRYCI-STQMWFEESA-N 1 0 359.857 3.976 50 0 FHAARO O=C(Cc1c[nH]c2ccccc12)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058201190 205258636 /nfs/dbraw/zinc/25/86/36/205258636.db2.gz MLIQQVNHFZDYPW-MRXNPFEDSA-N 1 0 367.518 3.800 50 0 FHAARO C[C@H](Oc1ccccc1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000058217568 205264529 /nfs/dbraw/zinc/26/45/29/205264529.db2.gz DHSZGBKTKAXDSG-FQEVSTJZSA-N 1 0 366.505 3.621 50 0 FHAARO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000058267592 205268870 /nfs/dbraw/zinc/26/88/70/205268870.db2.gz MYQIFHUZNZRRRE-SFHVURJKSA-N 1 0 373.541 3.549 50 0 FHAARO C[C@@H](c1cccnc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000058316675 205269678 /nfs/dbraw/zinc/26/96/78/205269678.db2.gz AGAHKHVQLXEMRD-AWEZNQCLSA-N 1 0 350.388 3.769 50 0 FHAARO C[C@H](c1cccnc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000058316677 205269934 /nfs/dbraw/zinc/26/99/34/205269934.db2.gz AGAHKHVQLXEMRD-CQSZACIVSA-N 1 0 350.388 3.769 50 0 FHAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2Cl)C1 ZINC000058358020 205272901 /nfs/dbraw/zinc/27/29/01/205272901.db2.gz MDMPRBBYGNMQRF-NSHDSACASA-N 1 0 359.695 3.563 50 0 FHAARO CC(C)[C@H](CNC(=O)c1csc(-c2ccccn2)n1)[NH+]1CCC(C)CC1 ZINC000058004657 205247394 /nfs/dbraw/zinc/24/73/94/205247394.db2.gz YGKAHBGVLUKYCP-SFHVURJKSA-N 1 0 372.538 3.691 50 0 FHAARO C[NH+](C)C1(CNC(=O)c2cc(F)ccc2Br)CCCCCC1 ZINC000057993680 205247613 /nfs/dbraw/zinc/24/76/13/205247613.db2.gz CUGKZWHCEQFYAN-UHFFFAOYSA-N 1 0 371.294 3.973 50 0 FHAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2c1ccc(F)c(Br)c1 ZINC000061718188 205286684 /nfs/dbraw/zinc/28/66/84/205286684.db2.gz VECHMBSCRWVRIG-NVXWUHKLSA-N 1 0 361.214 3.513 50 0 FHAARO CCOc1ccc(CNC(=O)C2=CC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000064818072 205305392 /nfs/dbraw/zinc/30/53/92/205305392.db2.gz LXMJJTIWWNPEBZ-UHFFFAOYSA-N 1 0 368.452 3.673 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)[C@H](Oc2ccc(F)cc2F)C(C)C)CC1 ZINC000065493054 205354610 /nfs/dbraw/zinc/35/46/10/205354610.db2.gz FCKZHGRTDKRQOU-LJQANCHMSA-N 1 0 368.468 3.605 50 0 FHAARO Fc1ccccc1C[N@@H+]1CCC[C@H](c2nncn2Cc2ccccc2)C1 ZINC000065287801 205334439 /nfs/dbraw/zinc/33/44/39/205334439.db2.gz VULDMLYPOJMDRH-IBGZPJMESA-N 1 0 350.441 3.845 50 0 FHAARO C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000065363993 205339736 /nfs/dbraw/zinc/33/97/36/205339736.db2.gz SSXFSWVCDKHZCA-MRXNPFEDSA-N 1 0 354.450 3.566 50 0 FHAARO CC(C)(Cn1cnc(-c2ccccc2)c1-c1ccco1)[NH+]1CCOCC1 ZINC000065382853 205342649 /nfs/dbraw/zinc/34/26/49/205342649.db2.gz GZIZBAPGJWYPOM-UHFFFAOYSA-N 1 0 351.450 3.921 50 0 FHAARO Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)n1 ZINC000065381941 205343703 /nfs/dbraw/zinc/34/37/03/205343703.db2.gz GZLDANFKPVOXOT-SFHVURJKSA-N 1 0 361.445 3.853 50 0 FHAARO C[NH+](C)CC(C)(C)Cn1cnc(-c2ccccc2)c1-c1cnn2cccnc12 ZINC000065397819 205346050 /nfs/dbraw/zinc/34/60/50/205346050.db2.gz MMOZHGRHNQRIHP-UHFFFAOYSA-N 1 0 374.492 3.848 50 0 FHAARO c1ccc(C[NH+]2CCC(NCc3nc(C4CCCCC4)no3)CC2)cc1 ZINC000065397728 205346736 /nfs/dbraw/zinc/34/67/36/205346736.db2.gz LZZTWKJFWCIDAG-UHFFFAOYSA-N 1 0 354.498 3.872 50 0 FHAARO Cc1ccc(-c2nc(NCC[C@H]3CCC[N@H+]3C)ncc2-c2cncnc2)cc1 ZINC000065409694 205348039 /nfs/dbraw/zinc/34/80/39/205348039.db2.gz VXGRMTKVINUBGN-LJQANCHMSA-N 1 0 374.492 3.805 50 0 FHAARO c1cn(CC[N@@H+]2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)cn1 ZINC000067491334 205373678 /nfs/dbraw/zinc/37/36/78/205373678.db2.gz FZUICPRJBRVEGF-UHFFFAOYSA-N 1 0 369.472 3.999 50 0 FHAARO CC(C)n1c2ccccc2nc1C[NH+]1CCC2(CC1)CCC(=O)N(C)CC2 ZINC000067643701 205378612 /nfs/dbraw/zinc/37/86/12/205378612.db2.gz IWQKYJKTGQPSMY-UHFFFAOYSA-N 1 0 368.525 3.842 50 0 FHAARO Cc1noc(-c2ccc(Oc3ccc(C[NH+]4CCCC4)cc3F)nc2)n1 ZINC000067675390 205382541 /nfs/dbraw/zinc/38/25/41/205382541.db2.gz XWXSWNSGEHMSBI-UHFFFAOYSA-N 1 0 354.385 3.967 50 0 FHAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)CCCCC[NH3+])CCO2 ZINC000067689170 205384260 /nfs/dbraw/zinc/38/42/60/205384260.db2.gz YPWUAOJHPMQQIG-UHFFFAOYSA-N 1 0 368.477 3.608 50 0 FHAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1-c1ccc(-c2ccncc2)[nH]c1=O ZINC000067695935 205384475 /nfs/dbraw/zinc/38/44/75/205384475.db2.gz HEIMGABDKLSPRV-UHFFFAOYSA-N 1 0 372.432 3.511 50 0 FHAARO Cc1ccc2[nH]c(CC[NH2+]C3CCN(Cc4ccco4)CC3)nc2c1C ZINC000067755439 205389010 /nfs/dbraw/zinc/38/90/10/205389010.db2.gz BBARZTFZCUGYHX-UHFFFAOYSA-N 1 0 352.482 3.569 50 0 FHAARO C[C@@H](c1ccc(-c2ccc(-c3nnc(N)s3)cc2)cc1)[NH+]1CCOCC1 ZINC000067755849 205389810 /nfs/dbraw/zinc/38/98/10/205389810.db2.gz WFCUNLMOPWBKPF-AWEZNQCLSA-N 1 0 366.490 3.848 50 0 FHAARO CC(=O)OCCC[N@@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067771333 205390199 /nfs/dbraw/zinc/39/01/99/205390199.db2.gz SYWMGYZUPHSQLN-UHFFFAOYSA-N 1 0 355.434 3.515 50 0 FHAARO Cc1ccc(-c2nc3sccn3c2-c2nccn2CC[NH+](C)C)cc1 ZINC000067774681 205391038 /nfs/dbraw/zinc/39/10/38/205391038.db2.gz VUMVYDNKYFOUBK-UHFFFAOYSA-N 1 0 351.479 3.796 50 0 FHAARO OCC1(Cc2ccccc2Cl)CC[NH+](Cc2cccc3nonc32)CC1 ZINC000015073288 220145477 /nfs/dbraw/zinc/14/54/77/220145477.db2.gz WDHCJGKGUCXMLS-UHFFFAOYSA-N 1 0 371.868 3.693 50 0 FHAARO Cc1cc(N2CCc3onc(-c4cccc5ccccc54)c3C2)nc(N)[nH+]1 ZINC000067854725 205397975 /nfs/dbraw/zinc/39/79/75/205397975.db2.gz FQZKRLRJUVIVAE-UHFFFAOYSA-N 1 0 357.417 3.738 50 0 FHAARO O=C(Nc1cccnc1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1)C1CC1 ZINC000071771765 205445603 /nfs/dbraw/zinc/44/56/03/205445603.db2.gz MYYOWVUIHKCBBG-GOSISDBHSA-N 1 0 365.477 3.877 50 0 FHAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000072303674 205505854 /nfs/dbraw/zinc/50/58/54/205505854.db2.gz RTHQYSIIOPNOCR-QGZVFWFLSA-N 1 0 365.452 3.901 50 0 FHAARO [NH3+]C[C@H]1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000072409993 205534297 /nfs/dbraw/zinc/53/42/97/205534297.db2.gz QKVGUKMDLLWCLK-CYBMUJFWSA-N 1 0 353.853 3.909 50 0 FHAARO C[NH+](C)Cc1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)nc1 ZINC000072418866 205535300 /nfs/dbraw/zinc/53/53/00/205535300.db2.gz IPXXUWPCZFZRMR-UHFFFAOYSA-N 1 0 358.449 3.694 50 0 FHAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cc(-c2ccc(Cl)cc2)on1 ZINC000095382866 205745106 /nfs/dbraw/zinc/74/51/06/205745106.db2.gz WPNSSXRRWFXQDD-KRWDZBQOSA-N 1 0 361.873 3.876 50 0 FHAARO C[C@H](c1ccc(C(=O)NCCCc2ccc(O)cc2)o1)[NH+]1CCCCC1 ZINC000097594843 205915267 /nfs/dbraw/zinc/91/52/67/205915267.db2.gz FLFBPCRWTPUWDK-MRXNPFEDSA-N 1 0 356.466 3.895 50 0 FHAARO CCOc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000236970955 206015169 /nfs/dbraw/zinc/01/51/69/206015169.db2.gz PQBCKKDDIUPIKZ-QGZVFWFLSA-N 1 0 368.477 3.949 50 0 FHAARO CN1CC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C[C@@H]1c1ccccc1 ZINC000106959282 206016430 /nfs/dbraw/zinc/01/64/30/206016430.db2.gz CTVHJWOOGYPIAS-JOCHJYFZSA-N 1 0 352.522 3.879 50 0 FHAARO CCCCNC(=O)c1c(C)n(C2CC[NH+](C(C)C)CC2)nc1C(F)(F)F ZINC000049362753 206085994 /nfs/dbraw/zinc/08/59/94/206085994.db2.gz HQDCXFFBTYDXOX-UHFFFAOYSA-N 1 0 374.451 3.786 50 0 FHAARO COc1cccc(C[NH2+]CCOc2ccccn2)c1OCc1ccccc1 ZINC000113396259 206089081 /nfs/dbraw/zinc/08/90/81/206089081.db2.gz BFMFGTMXOCIJLM-UHFFFAOYSA-N 1 0 364.445 3.838 50 0 FHAARO CC[C@H](C)[NH2+]CCOCCOc1ccc(Cl)cc1Br ZINC000002825413 206157915 /nfs/dbraw/zinc/15/79/15/206157915.db2.gz FHEMKPMORHQQQS-NSHDSACASA-N 1 0 350.684 3.886 50 0 FHAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(C)cc3)nc2c1 ZINC000005121494 206190525 /nfs/dbraw/zinc/19/05/25/206190525.db2.gz DBJJEHZTOMPHIL-UHFFFAOYSA-N 1 0 369.490 3.822 50 0 FHAARO CC[NH+](CC)CCCNc1ncnc2c1c(C)c(C)n2-c1ccccn1 ZINC000005346415 206194943 /nfs/dbraw/zinc/19/49/43/206194943.db2.gz FKXMUONUSHOOKF-UHFFFAOYSA-N 1 0 352.486 3.576 50 0 FHAARO Cc1cc(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)nn1C(C)(C)C ZINC000170597505 206270894 /nfs/dbraw/zinc/27/08/94/206270894.db2.gz SNOFWHNLTKYAAN-FQEVSTJZSA-N 1 0 370.541 3.833 50 0 FHAARO Cc1c2cccc(C)c2oc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000172243209 206280732 /nfs/dbraw/zinc/28/07/32/206280732.db2.gz KERISSQPLGOCAR-UHFFFAOYSA-N 1 0 363.461 3.839 50 0 FHAARO O=C(CCn1ccc2ccc(F)cc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000012296948 206290269 /nfs/dbraw/zinc/29/02/69/206290269.db2.gz LOCALLAVIUZBAU-PKOBYXMFSA-N 1 0 357.473 3.551 50 0 FHAARO CCc1cccc2c(C[NH2+]Cc3ccc(CN4CCOCC4)cc3)c[nH]c21 ZINC000012567210 206293196 /nfs/dbraw/zinc/29/31/96/206293196.db2.gz MKDZZSRWPQLPIX-UHFFFAOYSA-N 1 0 363.505 3.852 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccccc2Br)C1 ZINC000013671168 206304378 /nfs/dbraw/zinc/30/43/78/206304378.db2.gz OCFAFQONPGNIGR-OKILXGFUSA-N 1 0 353.304 3.547 50 0 FHAARO O=C1CCCN1c1ccc(C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000014138471 206308959 /nfs/dbraw/zinc/30/89/59/206308959.db2.gz CSWSFJGEUOFTJN-UHFFFAOYSA-N 1 0 365.296 3.927 50 0 FHAARO CC(C)OCc1cccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000106916250 206313379 /nfs/dbraw/zinc/31/33/79/206313379.db2.gz SZUJJDHBGDYPQN-YSIASYRMSA-N 1 0 357.498 3.560 50 0 FHAARO c1ccc(COc2cccc(CN3CC[C@@H]([NH+]4CCCCC4)C3)c2)nc1 ZINC000215099300 206344288 /nfs/dbraw/zinc/34/42/88/206344288.db2.gz QNZHTWZEEPTWQP-OAQYLSRUSA-N 1 0 351.494 3.721 50 0 FHAARO COc1cc(Cl)c(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000215744072 206349175 /nfs/dbraw/zinc/34/91/75/206349175.db2.gz OYUBFIQBOSTQMT-GOSISDBHSA-N 1 0 360.885 3.846 50 0 FHAARO CC(C)c1noc([C@H]2CCC[N@H+](Cc3cccc(Cn4cccn4)c3)C2)n1 ZINC000215714312 206350441 /nfs/dbraw/zinc/35/04/41/206350441.db2.gz MQQSDWLCSNPCEJ-IBGZPJMESA-N 1 0 365.481 3.817 50 0 FHAARO COc1cccc(-c2ncc(C[NH+]3CCC(c4ncc[nH]4)CC3)s2)c1 ZINC000215801374 206351713 /nfs/dbraw/zinc/35/17/13/206351713.db2.gz NTNGASLMDCUFAF-UHFFFAOYSA-N 1 0 354.479 3.921 50 0 FHAARO c1ccc(COc2cccc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)c2)nc1 ZINC000215919502 206351725 /nfs/dbraw/zinc/35/17/25/206351725.db2.gz HECOQAFJXKTZKB-LJQANCHMSA-N 1 0 360.461 3.830 50 0 FHAARO COCCCC[NH+]1CCN(C(=O)c2cccc3c(Cl)cccc23)CC1 ZINC000215804326 206352361 /nfs/dbraw/zinc/35/23/61/206352361.db2.gz SWMOKTZJXFJFEQ-UHFFFAOYSA-N 1 0 360.885 3.678 50 0 FHAARO O[C@H](c1cccs1)C1CC[NH+](Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000216247795 206355805 /nfs/dbraw/zinc/35/58/05/206355805.db2.gz VNHXOILGVCSSMC-NRFANRHFSA-N 1 0 367.518 3.939 50 0 FHAARO CN1CCC2(CC[NH+](Cc3cnc(C4CCCCC4)nc3)CC2)CCC1=O ZINC000216331058 206357519 /nfs/dbraw/zinc/35/75/19/206357519.db2.gz XIOLWMGXFSDBNR-UHFFFAOYSA-N 1 0 370.541 3.749 50 0 FHAARO CCOc1ccccc1O[C@H](CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000022459454 206377604 /nfs/dbraw/zinc/37/76/04/206377604.db2.gz MUZUHEGUCNOBRX-HXUWFJFHSA-N 1 0 354.494 3.843 50 0 FHAARO CCOc1ccccc1O[C@@H](CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000022459448 206377836 /nfs/dbraw/zinc/37/78/36/206377836.db2.gz MUZUHEGUCNOBRX-FQEVSTJZSA-N 1 0 354.494 3.843 50 0 FHAARO COc1ccc(-c2nc(C(=O)NCC[NH+](C(C)C)C(C)C)cs2)cc1 ZINC000022623270 206387617 /nfs/dbraw/zinc/38/76/17/206387617.db2.gz RWKZPSXNJCGPAU-UHFFFAOYSA-N 1 0 361.511 3.667 50 0 FHAARO CC(C)(C)OC(=O)N1CCC2(CC[NH+](Cc3ccccc3)CC2)[C@H](CO)C1 ZINC000216625833 206359680 /nfs/dbraw/zinc/35/96/80/206359680.db2.gz YAORWXSGGQJXRX-IBGZPJMESA-N 1 0 374.525 3.518 50 0 FHAARO Cc1ccc([C@H](CNC(=O)CCOc2ccc(C)c(C)c2)[NH+](C)C)cc1 ZINC000058159881 206391828 /nfs/dbraw/zinc/39/18/28/206391828.db2.gz YYFAIFQQEKHYFQ-NRFANRHFSA-N 1 0 354.494 3.800 50 0 FHAARO Cc1ccccc1NC(=O)CC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000022867024 206395960 /nfs/dbraw/zinc/39/59/60/206395960.db2.gz TXZLWHHYQQLVPC-XFFZJAGNSA-N 1 0 363.505 3.655 50 0 FHAARO CCc1cc(N2CCC([NH2+]CCCc3ccc(OC)cc3)CC2)nc(C)n1 ZINC000095503925 132212578 /nfs/dbraw/zinc/21/25/78/132212578.db2.gz WDBCYJXXHWNQSE-UHFFFAOYSA-N 1 0 368.525 3.547 50 0 FHAARO Cc1cc(N2CCC([NH2+]CCCc3ccc(O)cc3)CC2)nc(C(C)C)n1 ZINC000095522864 132214222 /nfs/dbraw/zinc/21/42/22/132214222.db2.gz ORIROQLAXINEHQ-UHFFFAOYSA-N 1 0 368.525 3.805 50 0 FHAARO CSc1ccc(/C=C\C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000096822526 132225886 /nfs/dbraw/zinc/22/58/86/132225886.db2.gz GSUWGGHRWXMCHS-XFXZXTDPSA-N 1 0 367.518 3.812 50 0 FHAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(N3CCOCC3)cc2c1=O ZINC000008717452 132260184 /nfs/dbraw/zinc/26/01/84/132260184.db2.gz KSQNIYSVJOVLND-KRWDZBQOSA-N 1 0 369.509 3.850 50 0 FHAARO CC[NH+]1CCN(c2ncnc3c4c5c(c(C(C)C)nc4oc32)CCC5)CC1 ZINC000002208592 132382788 /nfs/dbraw/zinc/38/27/88/132382788.db2.gz AQBJDILWVWIHLG-UHFFFAOYSA-N 1 0 365.481 3.525 50 0 FHAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccn1 ZINC000055561882 136127125 /nfs/dbraw/zinc/12/71/25/136127125.db2.gz OEHXLASSKZSDQD-UHFFFAOYSA-N 1 0 372.472 3.656 50 0 FHAARO O=C(Nc1ccccc1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000059314199 136132152 /nfs/dbraw/zinc/13/21/52/136132152.db2.gz LFMMYBSGLMMGAZ-NRFANRHFSA-N 1 0 364.493 3.505 50 0 FHAARO C[C@@H](C1CCN(c2nccc(CCC(F)(F)F)n2)CC1)[NH+]1CCCC1 ZINC000071764460 136140761 /nfs/dbraw/zinc/14/07/61/136140761.db2.gz PQWZNOQNPDVXPH-AWEZNQCLSA-N 1 0 356.436 3.672 50 0 FHAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(c2cc(C(C)C)nc(C)n2)C1 ZINC000072147758 136142735 /nfs/dbraw/zinc/14/27/35/136142735.db2.gz IJMFOXUAILVGLP-IBGZPJMESA-N 1 0 353.514 3.794 50 0 FHAARO Cc1cccc(N2CCC3(CCC[N@H+]3Cc3cnn(C(C)C)c3)CC2)n1 ZINC000072438719 136147547 /nfs/dbraw/zinc/14/75/47/136147547.db2.gz OPDJBUCQBHRMHK-UHFFFAOYSA-N 1 0 353.514 3.802 50 0 FHAARO FC(F)Oc1ccccc1C[N@@H+]1CCCC12CCN(c1ncccn1)CC2 ZINC000072457450 136148751 /nfs/dbraw/zinc/14/87/51/136148751.db2.gz IBEKZSMKGLMINI-UHFFFAOYSA-N 1 0 374.435 3.713 50 0 FHAARO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000004122523 136151371 /nfs/dbraw/zinc/15/13/71/136151371.db2.gz LZVKCRWEZKHVRL-UHFFFAOYSA-N 1 0 373.884 3.743 50 0 FHAARO COc1ccc(F)c(C[N@@H+]2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)c1 ZINC000426490506 263605465 /nfs/dbraw/zinc/60/54/65/263605465.db2.gz JRTJQBGYHKWOTE-SESVDKBCSA-N 1 0 363.473 3.773 50 0 FHAARO C/C=C/c1ccc(OCCN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000020482330 518554452 /nfs/dbraw/zinc/55/44/52/518554452.db2.gz VNWZCGDMZXMVPF-XVNBXDOJSA-N 1 0 366.505 3.925 50 0 FHAARO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000089544680 519795990 /nfs/dbraw/zinc/79/59/90/519795990.db2.gz LAFUVEWWWTVYFK-GOSISDBHSA-N 1 0 360.498 3.629 50 0 FHAARO CCCOc1c(Br)cc(C[NH2+]CCCCCO)cc1OCC ZINC000020932661 520290582 /nfs/dbraw/zinc/29/05/82/520290582.db2.gz NHOAEZKKFXYIQY-UHFFFAOYSA-N 1 0 374.319 3.889 50 0 FHAARO CCCOc1c(Br)cc(C[NH2+]C[C@H]2CCCO2)cc1OC ZINC000020932795 520292545 /nfs/dbraw/zinc/29/25/45/520292545.db2.gz NGIHAGFDFAXZIY-CYBMUJFWSA-N 1 0 358.276 3.515 50 0 FHAARO CC[NH+](CC)C[C@@H](NC(=O)NCCc1ccc(F)cc1)c1ccccc1 ZINC000040058079 520723051 /nfs/dbraw/zinc/72/30/51/520723051.db2.gz XKWZECGHPCXHRU-HXUWFJFHSA-N 1 0 357.473 3.751 50 0 FHAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cnc(C)s2)C1 ZINC000020908640 521356118 /nfs/dbraw/zinc/35/61/18/521356118.db2.gz AVYVAKFHCPSYMR-FQEVSTJZSA-N 1 0 358.507 3.840 50 0 FHAARO CCN(Cc1ccncc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055099850 521418560 /nfs/dbraw/zinc/41/85/60/521418560.db2.gz KARXDBXIRGQASV-JOCHJYFZSA-N 1 0 367.537 3.867 50 0 FHAARO CCN1CC2(CCC1=O)CC[NH+](CCCC(=O)c1ccc(F)cc1)CC2 ZINC000091460213 521545675 /nfs/dbraw/zinc/54/56/75/521545675.db2.gz VZJBSDAELUYEDY-UHFFFAOYSA-N 1 0 360.473 3.513 50 0 FHAARO C[N@H+](Cc1cc(-c2cccnc2)no1)C[C@@]1(c2ccc(F)cc2)CCOC1 ZINC000019838589 523161037 /nfs/dbraw/zinc/16/10/37/523161037.db2.gz AGUXVMOMEMMBBO-NRFANRHFSA-N 1 0 367.424 3.666 50 0 FHAARO CC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)nc2)CC[N@@H+]1C(C)C ZINC000020450929 523425249 /nfs/dbraw/zinc/42/52/49/523425249.db2.gz HAGSIPRBUYKDNA-HXUWFJFHSA-N 1 0 366.509 3.639 50 0 FHAARO CN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)[C@@H]1CC[NH2+]C1 ZINC000179073954 523937126 /nfs/dbraw/zinc/93/71/26/523937126.db2.gz HIKVDVPIFHJEQW-GFCCVEGCSA-N 1 0 366.248 3.615 50 0 FHAARO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2nccn2CC2CCC2)CC1 ZINC000091656374 524110271 /nfs/dbraw/zinc/11/02/71/524110271.db2.gz IMOQMNMPBXTHSF-SFHVURJKSA-N 1 0 372.557 3.654 50 0 FHAARO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000240897319 524239323 /nfs/dbraw/zinc/23/93/23/524239323.db2.gz ISDDDPSIPDKRQV-VWXURSGXSA-N 1 0 358.526 3.901 50 0 FHAARO COc1cccc2c1OC[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC000020406670 524246191 /nfs/dbraw/zinc/24/61/91/524246191.db2.gz LPXBARQSAOXBNB-MRXNPFEDSA-N 1 0 352.459 3.912 50 0 FHAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc3cccc(F)c3n2)s1 ZINC000091289323 524406611 /nfs/dbraw/zinc/40/66/11/524406611.db2.gz XPFYRBJRPOGOTK-UHFFFAOYSA-N 1 0 371.481 3.948 50 0 FHAARO COc1ccccc1C[NH2+]CC(O)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020365918 524486316 /nfs/dbraw/zinc/48/63/16/524486316.db2.gz MBMQOYDWYCNDHY-UHFFFAOYSA-N 1 0 369.411 3.999 50 0 FHAARO C[C@H]1C[NH+](CCCCNc2ncnc3c4ccccc4oc32)C[C@H](C)O1 ZINC000079063616 524591500 /nfs/dbraw/zinc/59/15/00/524591500.db2.gz KOEPTOYJNUGADY-GJZGRUSLSA-N 1 0 354.454 3.677 50 0 FHAARO C[C@H](Cc1cccnc1)[NH+]1CCC(CO)(CCOc2ccccc2)CC1 ZINC000019885234 524743472 /nfs/dbraw/zinc/74/34/72/524743472.db2.gz XADRXEZFJSLPDH-LJQANCHMSA-N 1 0 354.494 3.556 50 0 FHAARO C[C@H]1C[C@@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000068272195 524837547 /nfs/dbraw/zinc/83/75/47/524837547.db2.gz IMIWIKCSHURIDQ-GUYCJALGSA-N 1 0 354.416 3.784 50 0 FHAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC(OCc2ccccn2)CC1 ZINC000216363268 524899203 /nfs/dbraw/zinc/89/92/03/524899203.db2.gz SWUBNHIUNSUSBT-KRWDZBQOSA-N 1 0 368.477 3.670 50 0 FHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000269273254 525010715 /nfs/dbraw/zinc/01/07/15/525010715.db2.gz NNGCATFMZOQFFS-DGCLKSJQSA-N 1 0 373.722 3.621 50 0 FHAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000020109628 525430174 /nfs/dbraw/zinc/43/01/74/525430174.db2.gz DATJBWPHTQSAHO-FQEVSTJZSA-N 1 0 374.912 3.519 50 0 FHAARO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cnn1C ZINC000019812678 525704964 /nfs/dbraw/zinc/70/49/64/525704964.db2.gz MBBGRTAKBPDCNG-OAHLLOKOSA-N 1 0 365.399 3.842 50 0 FHAARO Cc1ccc([C@H](CC(=O)N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c2ccco2)cc1 ZINC000239274608 525952486 /nfs/dbraw/zinc/95/24/86/525952486.db2.gz ALGBIQNSNSQKKV-LCLWPZTBSA-N 1 0 354.494 3.955 50 0 FHAARO Cc1ccc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)s1 ZINC000082121026 526184404 /nfs/dbraw/zinc/18/44/04/526184404.db2.gz MCBQDEMAQNVYFN-UHFFFAOYSA-N 1 0 372.538 3.721 50 0 FHAARO Fc1ccc([C@]2(C[NH2+]Cc3ccc(C(F)(F)F)nc3)CCOC2)cc1 ZINC000020135649 526367523 /nfs/dbraw/zinc/36/75/23/526367523.db2.gz KOONPNOBCRILOH-KRWDZBQOSA-N 1 0 354.347 3.687 50 0 FHAARO c1c(CNc2cc(C3CC3)ncn2)nn2c1C[N@H+](C1CCCCC1)CCC2 ZINC000082120774 526399818 /nfs/dbraw/zinc/39/98/18/526399818.db2.gz AUKQYMQNDBGMOY-UHFFFAOYSA-N 1 0 366.513 3.701 50 0 FHAARO O=C(COc1ccc2ccccc2c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019831889 526971939 /nfs/dbraw/zinc/97/19/39/526971939.db2.gz WHCDSSKLXDPQOX-UHFFFAOYSA-N 1 0 352.478 3.696 50 0 FHAARO O=C1CN(Cc2cc(C[NH+]3CCCCC3)cs2)CCN1c1ccccc1 ZINC000082099777 527004447 /nfs/dbraw/zinc/00/44/47/527004447.db2.gz JRRPWHGIBOORQH-UHFFFAOYSA-N 1 0 369.534 3.583 50 0 FHAARO Cc1nc([C@H](C)N(C)C(=O)C2CC[NH+](Cc3ccco3)CC2)c(C)s1 ZINC000082134987 527057355 /nfs/dbraw/zinc/05/73/55/527057355.db2.gz WKSBBHMVRSSKQM-ZDUSSCGKSA-N 1 0 361.511 3.785 50 0 FHAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc(OC4CCCC4)cc3)C2)N1CC1CC1 ZINC000091469097 527118062 /nfs/dbraw/zinc/11/80/62/527118062.db2.gz JNVFQYBUSJKSTI-VQTJNVASSA-N 1 0 368.521 3.841 50 0 FHAARO [NH3+]C1CCN(C(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000157590826 527143862 /nfs/dbraw/zinc/14/38/62/527143862.db2.gz UCBBECAYNRFTEE-UHFFFAOYSA-N 1 0 365.264 3.695 50 0 FHAARO OCC[C@@H]1CN(Cc2cccc(-c3ccco3)c2)CC[N@@H+]1C1CCCC1 ZINC000020905653 527566819 /nfs/dbraw/zinc/56/68/19/527566819.db2.gz VIIWUHHKVGVSJM-OAQYLSRUSA-N 1 0 354.494 3.758 50 0 FHAARO Cc1nn(C)c(Cl)c1CN1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000020450514 527666110 /nfs/dbraw/zinc/66/61/10/527666110.db2.gz KMMCAUCBVZGZTC-GOSISDBHSA-N 1 0 360.933 3.521 50 0 FHAARO FC(F)(F)c1cc(-c2cccs2)nc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000245254039 527679321 /nfs/dbraw/zinc/67/93/21/527679321.db2.gz YGXIDYZRKRJFMP-NSHDSACASA-N 1 0 354.401 3.508 50 0 FHAARO CCc1sc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1C ZINC000012543005 535950766 /nfs/dbraw/zinc/95/07/66/535950766.db2.gz CTRPXWAQSJWLRW-UHFFFAOYSA-N 1 0 357.523 3.931 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)/C=C\c3ccc(Cl)s3)cc2)CC1 ZINC000096936765 536422643 /nfs/dbraw/zinc/42/26/43/536422643.db2.gz KCBUPESWAWKYKR-CLFYSBASSA-N 1 0 361.898 3.805 50 0 FHAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000001401304 536424834 /nfs/dbraw/zinc/42/48/34/536424834.db2.gz USFIDDUWCCJBCA-UHFFFAOYSA-N 1 0 364.276 3.998 50 0 FHAARO CCOc1cc([C@H]2[NH2+]CCc3cc(OCC)c(OCC)cc32)ccc1O ZINC000000718279 568130364 /nfs/dbraw/zinc/13/03/64/568130364.db2.gz BOYDCQRQYBZISA-OAQYLSRUSA-N 1 0 357.450 3.823 50 0 biogenic FHAARO CCc1ccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000221835825 568463441 /nfs/dbraw/zinc/46/34/41/568463441.db2.gz WZLFMAPFGQJNFV-GHTZIAJQSA-N 1 0 366.505 3.797 50 0 FHAARO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc(Oc3ccccc3)c2)C1 ZINC000091845541 570440588 /nfs/dbraw/zinc/44/05/88/570440588.db2.gz AWTRHBJAXWYHIM-VQTJNVASSA-N 1 0 350.462 3.922 50 0 FHAARO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)ccc1F ZINC000091877080 570441394 /nfs/dbraw/zinc/44/13/94/570441394.db2.gz KOQKEKMZGNTSFI-VQTJNVASSA-N 1 0 352.453 3.757 50 0 FHAARO CCN1CCc2nc[nH]c2C12CC[NH+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000091894541 570441901 /nfs/dbraw/zinc/44/19/01/570441901.db2.gz DSRGQRKDVRBTOK-INIZCTEOSA-N 1 0 356.514 3.674 50 0 FHAARO O=c1cc(C[NH+]2CCC(Nc3ccccn3)CC2)[nH]c2ccc(F)cc12 ZINC000091943691 570442935 /nfs/dbraw/zinc/44/29/35/570442935.db2.gz DFCWCCGBCLFZHZ-UHFFFAOYSA-N 1 0 352.413 3.551 50 0 FHAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(C)cc(C)c1)CC2 ZINC000091951723 570443637 /nfs/dbraw/zinc/44/36/37/570443637.db2.gz XJNRRTVPNOZCLO-UHFFFAOYSA-N 1 0 358.526 3.545 50 0 FHAARO O=C1N(CC2CC2)CCC[C@]12CC[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000092066621 570446405 /nfs/dbraw/zinc/44/64/05/570446405.db2.gz UDLOXIBIGJJJMN-LJQANCHMSA-N 1 0 366.427 3.930 50 0 FHAARO COc1ccc2cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(C)nc2c1 ZINC000011423844 570448069 /nfs/dbraw/zinc/44/80/69/570448069.db2.gz NCCSAPUTNYWLPN-UHFFFAOYSA-N 1 0 355.482 3.591 50 0 FHAARO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC000095355901 570452831 /nfs/dbraw/zinc/45/28/31/570452831.db2.gz LSSBYPMITHOWEP-SFHVURJKSA-N 1 0 354.881 3.978 50 0 FHAARO O=C(NCc1cccc(OC(F)F)c1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095364351 570454748 /nfs/dbraw/zinc/45/47/48/570454748.db2.gz IWQIIHDCHNATMX-KRWDZBQOSA-N 1 0 360.404 3.685 50 0 FHAARO COc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)cc1Cl ZINC000095371585 570456545 /nfs/dbraw/zinc/45/65/45/570456545.db2.gz HJQUCZHZDJUQHP-PKOBYXMFSA-N 1 0 371.912 3.840 50 0 FHAARO c1ccc([C@@H]2C[N@@H+](C3CC3)CC3(CCN(Cc4ncccn4)CC3)C2)cc1 ZINC000095374147 570457285 /nfs/dbraw/zinc/45/72/85/570457285.db2.gz KBVIAWQFKJXGJY-FQEVSTJZSA-N 1 0 362.521 3.711 50 0 FHAARO C[N@@H+]1CCCCC[C@H]1C(=O)N(CCc1ccc(F)cc1)Cc1cccnc1 ZINC000095383071 570459427 /nfs/dbraw/zinc/45/94/27/570459427.db2.gz YRKCAZHRCMEQMY-NRFANRHFSA-N 1 0 369.484 3.666 50 0 FHAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC000095387897 570460296 /nfs/dbraw/zinc/46/02/96/570460296.db2.gz IJGMGJNMJRTNJZ-LJQANCHMSA-N 1 0 360.546 3.511 50 0 FHAARO COc1ccc(C[NH2+]Cc2cccc(OC)c2OC)cc1Br ZINC000000851054 570460697 /nfs/dbraw/zinc/46/06/97/570460697.db2.gz PDIQWISRAALROZ-UHFFFAOYSA-N 1 0 366.255 3.765 50 0 FHAARO CCn1ccc2c1cccc2C[N@@H+]1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095392477 570461129 /nfs/dbraw/zinc/46/11/29/570461129.db2.gz GJGZMVHXQVDLJQ-NFBKMPQASA-N 1 0 362.473 3.632 50 0 FHAARO CC1(C)C[C@@H](C[NH+]2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)CCO1 ZINC000095498070 570462366 /nfs/dbraw/zinc/46/23/66/570462366.db2.gz GHENEJBZIFSRCK-FQEVSTJZSA-N 1 0 370.537 3.706 50 0 FHAARO Cc1ccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]2N(C)C)cc1 ZINC000095502185 570463332 /nfs/dbraw/zinc/46/33/32/570463332.db2.gz UBBANEKEVCWKLQ-FCHUYYIVSA-N 1 0 360.505 3.915 50 0 FHAARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C1CSCCSC1)CC2 ZINC000095504101 570463706 /nfs/dbraw/zinc/46/37/06/570463706.db2.gz YXZYZNNRRZPCQJ-GOSISDBHSA-N 1 0 362.608 3.789 50 0 FHAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C1CSCCSC1)CC2 ZINC000095504102 570463751 /nfs/dbraw/zinc/46/37/51/570463751.db2.gz YXZYZNNRRZPCQJ-SFHVURJKSA-N 1 0 362.608 3.789 50 0 FHAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1cccn1C ZINC000095504709 570463811 /nfs/dbraw/zinc/46/38/11/570463811.db2.gz CJWZUODMYZCOQC-UHFFFAOYSA-N 1 0 373.928 3.705 50 0 FHAARO Cc1[nH]ccc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095504509 570463838 /nfs/dbraw/zinc/46/38/38/570463838.db2.gz ODGKZPJODWGQRS-FQEVSTJZSA-N 1 0 373.541 3.599 50 0 FHAARO COCc1noc(C[N@@H+]2CCCC(c3ccccc3)(c3ccccc3)C2)n1 ZINC000095516334 570466467 /nfs/dbraw/zinc/46/64/67/570466467.db2.gz OMXUJYSRWHKJGW-UHFFFAOYSA-N 1 0 363.461 3.798 50 0 FHAARO CCCNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095517611 570466495 /nfs/dbraw/zinc/46/64/95/570466495.db2.gz ZETUSUIIGAKLMP-UHFFFAOYSA-N 1 0 366.505 3.912 50 0 FHAARO Cc1ccc([C@@H]2CN(C(=O)c3cccc(-c4ncc[nH]4)c3)C[C@H]2[NH+](C)C)cc1 ZINC000095519488 570466859 /nfs/dbraw/zinc/46/68/59/570466859.db2.gz SCJBRNGEUQJVSF-LEWJYISDSA-N 1 0 374.488 3.555 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)cc1O ZINC000095518234 570467062 /nfs/dbraw/zinc/46/70/62/570467062.db2.gz RKSSYNQCORCKHC-QFIPXVFZSA-N 1 0 369.461 3.974 50 0 FHAARO Cc1ccc([C@@H]2CN(Cc3cnc(N4CCCC4)s3)C[C@H]2[NH+](C)C)cc1 ZINC000095523107 570467989 /nfs/dbraw/zinc/46/79/89/570467989.db2.gz LWMCNHRNAFRYLU-VQTJNVASSA-N 1 0 370.566 3.581 50 0 FHAARO Cc1ccccc1N1C(=O)C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000000986313 570468137 /nfs/dbraw/zinc/46/81/37/570468137.db2.gz XXYIARFTVHCKHX-NRFANRHFSA-N 1 0 362.473 3.582 50 0 FHAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1cc(C(C)C)no1)CC2 ZINC000095525316 570468338 /nfs/dbraw/zinc/46/83/38/570468338.db2.gz RXXBWFGKLZOFGA-UHFFFAOYSA-N 1 0 371.529 3.671 50 0 FHAARO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C)s2)n(C(C)C)n1 ZINC000096140420 570476648 /nfs/dbraw/zinc/47/66/48/570476648.db2.gz ZYKUFXDWMNWKIH-UHFFFAOYSA-N 1 0 363.531 3.738 50 0 FHAARO Cc1n[nH]c(CCC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c1C ZINC000096140990 570476680 /nfs/dbraw/zinc/47/66/80/570476680.db2.gz XXDUJDHKXUDWAO-IBGZPJMESA-N 1 0 374.916 3.566 50 0 FHAARO CCC(=O)NCc1cccc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000096160589 570477961 /nfs/dbraw/zinc/47/79/61/570477961.db2.gz ALKMEGJRAIWVII-QGZVFWFLSA-N 1 0 352.478 3.773 50 0 FHAARO O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000096166995 570478636 /nfs/dbraw/zinc/47/86/36/570478636.db2.gz QPBJXBFXGUXWRR-FQEVSTJZSA-N 1 0 365.477 3.667 50 0 FHAARO Cc1cc(OC(F)F)ccc1NC(=O)N[C@H](c1nccn1C)C1CC1 ZINC000097463637 570487870 /nfs/dbraw/zinc/48/78/70/570487870.db2.gz GBXNOBCZBHHBNM-AWEZNQCLSA-N 1 0 350.369 3.603 50 0 FHAARO CCn1cc(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)cn1 ZINC000097515085 570489315 /nfs/dbraw/zinc/48/93/15/570489315.db2.gz OHOVVMILSKLQRV-QGZVFWFLSA-N 1 0 361.877 3.515 50 0 FHAARO CCCN(Cc1ccco1)C(=O)NC1CC[NH+](C2CCSCC2)CC1 ZINC000584901302 570510425 /nfs/dbraw/zinc/51/04/25/570510425.db2.gz HOAKZMJEHINCQU-UHFFFAOYSA-N 1 0 365.543 3.561 50 0 FHAARO O=C(c1cccc(F)c1)N(C[C@@H]1C[NH2+]C[C@H]1c1ccc(F)cc1)C1CC1 ZINC000034697324 570530750 /nfs/dbraw/zinc/53/07/50/570530750.db2.gz TUNOMVMIWQCNPY-JXFKEZNVSA-N 1 0 356.416 3.573 50 0 FHAARO Cc1ccccc1C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1CCCO1 ZINC000248156074 570598916 /nfs/dbraw/zinc/59/89/16/570598916.db2.gz MCKFJXVKFHXMKJ-DHIUTWEWSA-N 1 0 369.505 3.554 50 0 FHAARO C[C@H]1C[C@H](Nc2ccc(-c3ncn(C)n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000097371266 570660409 /nfs/dbraw/zinc/66/04/09/570660409.db2.gz TXSSJMGUOVZIRN-LAUBAEHRSA-N 1 0 361.493 3.947 50 0 FHAARO C[NH+]1CCN(c2nc(-c3ccc(Cl)cc3)nnc2-c2ccccc2)CC1 ZINC000005525581 570679347 /nfs/dbraw/zinc/67/93/47/570679347.db2.gz HLKYLLKYISBYAE-UHFFFAOYSA-N 1 0 365.868 3.611 50 0 FHAARO CCCCc1ncc(C[NH+]2CCC(CO)(CCc3ccccc3)CC2)[nH]1 ZINC000011663833 570704715 /nfs/dbraw/zinc/70/47/15/570704715.db2.gz LSFKJFMCXIMYIL-UHFFFAOYSA-N 1 0 355.526 3.960 50 0 FHAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)c2cccs2)C1 ZINC000011717571 570706330 /nfs/dbraw/zinc/70/63/30/570706330.db2.gz MZWKBKJZTIFTCO-INIZCTEOSA-N 1 0 358.507 3.789 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1C ZINC000011766674 570706817 /nfs/dbraw/zinc/70/68/17/570706817.db2.gz FQYPOFKQVKJKKC-JOCHJYFZSA-N 1 0 357.469 3.960 50 0 FHAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc(COC)o2)CC1 ZINC000011815373 570707535 /nfs/dbraw/zinc/70/75/35/570707535.db2.gz INBFMSVHMMKCTK-UHFFFAOYSA-N 1 0 371.477 3.814 50 0 FHAARO Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cc(C)c1O ZINC000012002516 570713974 /nfs/dbraw/zinc/71/39/74/570713974.db2.gz FNDGKZXQIAJYAG-KRWDZBQOSA-N 1 0 370.468 3.790 50 0 FHAARO O=C(/C=C/c1ccco1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012020226 570714157 /nfs/dbraw/zinc/71/41/57/570714157.db2.gz JRJBAMMEBORNDY-JJNABOQBSA-N 1 0 364.489 3.850 50 0 FHAARO COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccc2F)cc1O ZINC000012023925 570714502 /nfs/dbraw/zinc/71/45/02/570714502.db2.gz JKEMRLNKWFQXDD-KRWDZBQOSA-N 1 0 367.424 3.893 50 0 FHAARO O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1Cc1cccc(F)c1F ZINC000012039691 570715095 /nfs/dbraw/zinc/71/50/95/570715095.db2.gz CGDRZKBQVYUNKB-KRWDZBQOSA-N 1 0 362.395 3.775 50 0 FHAARO O=C(c1ccc(OC2CC[NH+](Cc3ccoc3)CC2)cc1)N1CCCC1 ZINC000012055733 570715622 /nfs/dbraw/zinc/71/56/22/570715622.db2.gz NHMVKNMSNIWZRL-UHFFFAOYSA-N 1 0 354.450 3.559 50 0 FHAARO Cc1ncccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012210368 570727977 /nfs/dbraw/zinc/72/79/77/570727977.db2.gz AWXGGWARLQFYAF-QFIPXVFZSA-N 1 0 355.526 3.898 50 0 FHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3sccc3C)C2)CC1 ZINC000012298239 570733313 /nfs/dbraw/zinc/73/33/13/570733313.db2.gz DNEGFABWTHRIIH-HNNXBMFYSA-N 1 0 364.511 3.572 50 0 FHAARO COCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012301530 570733715 /nfs/dbraw/zinc/73/37/15/570733715.db2.gz CZKHWSGEPTVPMU-JOCHJYFZSA-N 1 0 358.526 3.661 50 0 FHAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](Cc2cccnc2)CC1 ZINC000012307633 570735381 /nfs/dbraw/zinc/73/53/81/570735381.db2.gz SPYMWWCIQUWYFE-UHFFFAOYSA-N 1 0 356.441 3.609 50 0 FHAARO O=C(c1ccc(F)c(Cl)c1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012386155 570741452 /nfs/dbraw/zinc/74/14/52/570741452.db2.gz YUFXYQOORONNOP-IBGZPJMESA-N 1 0 350.865 3.817 50 0 FHAARO c1cc(C[NH2+]Cc2cccnc2Oc2ccccc2)n(-c2ncccn2)c1 ZINC000012434525 570745146 /nfs/dbraw/zinc/74/51/46/570745146.db2.gz BJJQLFFNLGQHOP-UHFFFAOYSA-N 1 0 357.417 3.744 50 0 FHAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]C1CCCC1 ZINC000012439437 570745741 /nfs/dbraw/zinc/74/57/41/570745741.db2.gz VOIWDJKYZBXCHF-UHFFFAOYSA-N 1 0 362.477 3.639 50 0 FHAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C ZINC000012441952 570746182 /nfs/dbraw/zinc/74/61/82/570746182.db2.gz RXNKVXQJTUKDBR-INIZCTEOSA-N 1 0 374.481 3.977 50 0 FHAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c(OC)c1 ZINC000012716603 570758425 /nfs/dbraw/zinc/75/84/25/570758425.db2.gz VIZRBIPQRDMKNH-GOSISDBHSA-N 1 0 353.462 3.841 50 0 FHAARO CC[C@@H](CNC(=O)c1cc(Br)ccc1Cl)[NH+]1CCCC1 ZINC000032653735 570766641 /nfs/dbraw/zinc/76/66/41/570766641.db2.gz RPAYFLLRASIJHS-LBPRGKRZSA-N 1 0 359.695 3.707 50 0 FHAARO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(F)cc1)[NH+]1CCCC1 ZINC000012977081 570769754 /nfs/dbraw/zinc/76/97/54/570769754.db2.gz PGTZILPOJXBYFY-GOSISDBHSA-N 1 0 357.429 3.793 50 0 FHAARO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000013040722 570773156 /nfs/dbraw/zinc/77/31/56/570773156.db2.gz RUTMFBQOPYGXLM-AWEZNQCLSA-N 1 0 369.856 3.518 50 0 FHAARO CCc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000013112307 570773769 /nfs/dbraw/zinc/77/37/69/570773769.db2.gz HAJLSVZWWIZPKO-TZIWHRDSSA-N 1 0 370.518 3.554 50 0 FHAARO COCc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(C)o3)C2)o1 ZINC000013594275 570779871 /nfs/dbraw/zinc/77/98/71/570779871.db2.gz GOJTWSLPNKAQJZ-QGZVFWFLSA-N 1 0 374.481 3.636 50 0 FHAARO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000013675742 570784204 /nfs/dbraw/zinc/78/42/04/570784204.db2.gz QLVOVSBALYNEJZ-IBGZPJMESA-N 1 0 360.523 3.773 50 0 FHAARO CC[NH+]1CCC2(CC1)OCCN2C(=O)c1oc2ccc(Cl)cc2c1C ZINC000013718625 570786371 /nfs/dbraw/zinc/78/63/71/570786371.db2.gz MHIHWYVTMMFIRN-UHFFFAOYSA-N 1 0 362.857 3.679 50 0 FHAARO Cn1c2ccc(C[NH2+]CCc3ccc(Cl)cc3Cl)cc2n(C)c1=O ZINC000013723067 570787243 /nfs/dbraw/zinc/78/72/43/570787243.db2.gz VEWCLADEMQEJQA-UHFFFAOYSA-N 1 0 364.276 3.516 50 0 FHAARO O=C1CCCN1CCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000013727602 570787662 /nfs/dbraw/zinc/78/76/62/570787662.db2.gz VEATWACYCWXNHW-UHFFFAOYSA-N 1 0 356.441 3.507 50 0 FHAARO CCCCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013729706 570788112 /nfs/dbraw/zinc/78/81/12/570788112.db2.gz MEEQOWSPLDUUCD-UHFFFAOYSA-N 1 0 367.453 3.743 50 0 FHAARO COc1ccc(CC[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000032735841 570790565 /nfs/dbraw/zinc/79/05/65/570790565.db2.gz WIEYVVYUJFBPKU-UHFFFAOYSA-N 1 0 364.239 3.519 50 0 FHAARO O=C(CSc1ccc(F)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761387 570795966 /nfs/dbraw/zinc/79/59/66/570795966.db2.gz LTKGGZZPBJNGPM-MRXNPFEDSA-N 1 0 364.511 3.933 50 0 FHAARO CC(=O)c1ccc(NC(=O)CC[N@H+](C)CCOc2ccccc2C)cc1 ZINC000014079495 570803801 /nfs/dbraw/zinc/80/38/01/570803801.db2.gz SCLAZMFCAHPHAN-UHFFFAOYSA-N 1 0 354.450 3.537 50 0 FHAARO COc1ccc(OC)c([C@@H]2CCCN2Cn2nc3ccccn3c2=S)c1 ZINC000014121048 570806946 /nfs/dbraw/zinc/80/69/46/570806946.db2.gz IFBPHAMBQBWKLJ-INIZCTEOSA-N 1 0 370.478 3.677 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCC3)[NH+]2CCCC2)cc1 ZINC000014121907 570807108 /nfs/dbraw/zinc/80/71/08/570807108.db2.gz QSPKGBWDRMIGNQ-JOCHJYFZSA-N 1 0 364.489 3.751 50 0 FHAARO CC(C)CC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014754680 570822979 /nfs/dbraw/zinc/82/29/79/570822979.db2.gz MDQBZLROHRFBMB-SFHVURJKSA-N 1 0 374.573 3.658 50 0 FHAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)CC1 ZINC000014968580 570827397 /nfs/dbraw/zinc/82/73/97/570827397.db2.gz JOBMAYSEKHQQOS-INIZCTEOSA-N 1 0 362.901 3.554 50 0 FHAARO Cc1occc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000014971880 570827480 /nfs/dbraw/zinc/82/74/80/570827480.db2.gz VOQGXUCNXBMLFV-OAQYLSRUSA-N 1 0 374.431 3.995 50 0 FHAARO CSc1ccc(C[N@H+]2CCC(=O)N(Cc3cccc(F)c3)CC2)cc1 ZINC000014988050 570828006 /nfs/dbraw/zinc/82/80/06/570828006.db2.gz WBCWLRBNWYLBAM-UHFFFAOYSA-N 1 0 358.482 3.782 50 0 FHAARO COc1cccc(CN2CC[N@H+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CCC2=O)c1 ZINC000015068271 570830955 /nfs/dbraw/zinc/83/09/55/570830955.db2.gz FIXNBIOHTRYAKZ-FPOVZHCZSA-N 1 0 368.521 3.722 50 0 FHAARO CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)cc1 ZINC000015074849 570831951 /nfs/dbraw/zinc/83/19/51/570831951.db2.gz MARJUGTYBKJTOJ-OAQYLSRUSA-N 1 0 357.542 3.945 50 0 FHAARO COc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1Cl ZINC000015860478 570846745 /nfs/dbraw/zinc/84/67/45/570846745.db2.gz IGTJUWVMFRFAOO-INIZCTEOSA-N 1 0 362.857 3.817 50 0 FHAARO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000032912558 570852509 /nfs/dbraw/zinc/85/25/09/570852509.db2.gz VJZVSLXBENPBHD-AWEZNQCLSA-N 1 0 372.296 3.712 50 0 FHAARO CC(C)[NH+](CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(C)C ZINC000016600122 570858677 /nfs/dbraw/zinc/85/86/77/570858677.db2.gz VKRXBYHGCHLPPD-UHFFFAOYSA-N 1 0 363.502 3.882 50 0 FHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)NCc3ccccc3)CC2)cc1 ZINC000016623970 570859244 /nfs/dbraw/zinc/85/92/44/570859244.db2.gz DTEDJTACWQWTGO-UHFFFAOYSA-N 1 0 351.494 3.706 50 0 FHAARO CCC[NH2+]CC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000017079795 570868314 /nfs/dbraw/zinc/86/83/14/570868314.db2.gz JANBQZHESDWGFR-UHFFFAOYSA-N 1 0 354.273 3.511 50 0 FHAARO C[N@@H+]1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C[C@@H]1CCO ZINC000019222371 570882535 /nfs/dbraw/zinc/88/25/35/570882535.db2.gz RWYSOLKCGUOJGJ-SFHVURJKSA-N 1 0 360.885 3.631 50 0 FHAARO Cc1c(Cl)cccc1NC(=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019359356 570887183 /nfs/dbraw/zinc/88/71/83/570887183.db2.gz VZLHWQKGVMBYFH-UHFFFAOYSA-N 1 0 371.912 3.795 50 0 FHAARO COc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)o1 ZINC000012056954 570888335 /nfs/dbraw/zinc/88/83/35/570888335.db2.gz NVUHJQNVKJEPQU-OAQYLSRUSA-N 1 0 372.440 3.556 50 0 FHAARO COc1ccc(CC[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1OC ZINC000108095135 570902717 /nfs/dbraw/zinc/90/27/17/570902717.db2.gz SAWRYBBRTMXXEP-YLJYHZDGSA-N 1 0 354.494 3.671 50 0 FHAARO COc1ccc(Br)cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000019831592 570904533 /nfs/dbraw/zinc/90/45/33/570904533.db2.gz HKESHNSMVJNICR-UHFFFAOYSA-N 1 0 367.331 3.908 50 0 FHAARO CCOc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000045697392 570910884 /nfs/dbraw/zinc/91/08/84/570910884.db2.gz UNUWAJPFXRNWAV-UHFFFAOYSA-N 1 0 354.450 3.749 50 0 FHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000020385484 570915124 /nfs/dbraw/zinc/91/51/24/570915124.db2.gz JSEONQZWIWDTOM-INIZCTEOSA-N 1 0 353.445 3.637 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@H](c1cccc(OC)c1OC)[NH2+]CC2 ZINC000020506938 570918593 /nfs/dbraw/zinc/91/85/93/570918593.db2.gz RZDWAUYVPWTZRU-FQEVSTJZSA-N 1 0 357.450 3.736 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(NC(C)=O)cc1)[NH2+]CC2 ZINC000020506950 570919091 /nfs/dbraw/zinc/91/90/91/570919091.db2.gz HNMVJYGHRVZLTA-OAQYLSRUSA-N 1 0 354.450 3.678 50 0 FHAARO Cc1ncc2c(c1-c1noc([C@]3(c4cccs4)CC3(C)C)n1)CC[NH2+]C2 ZINC000020599243 570920490 /nfs/dbraw/zinc/92/04/90/570920490.db2.gz NEGXZNDFUVRBMJ-HXUWFJFHSA-N 1 0 366.490 3.863 50 0 FHAARO CC[C@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1ccc(OC)cc1 ZINC000071999557 570925684 /nfs/dbraw/zinc/92/56/84/570925684.db2.gz QMSWBSSPARRCIM-CTNGQTDRSA-N 1 0 369.509 3.618 50 0 FHAARO CC(C)NC(=O)Nc1cccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1 ZINC000047675776 570929569 /nfs/dbraw/zinc/92/95/69/570929569.db2.gz SRVDFQWGHKJYGQ-UHFFFAOYSA-N 1 0 374.529 3.553 50 0 FHAARO CO[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C)c1ccccc1 ZINC000072048927 570930511 /nfs/dbraw/zinc/93/05/11/570930511.db2.gz HXKGXKNBGJQZBI-FQEVSTJZSA-N 1 0 370.518 3.870 50 0 FHAARO O=C(Nc1cccc(OC(F)F)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047906728 570931874 /nfs/dbraw/zinc/93/18/74/570931874.db2.gz KAQCQSCFXRKDGX-INIZCTEOSA-N 1 0 361.392 3.684 50 0 FHAARO CCOc1ccc(Cl)cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000048127415 570935015 /nfs/dbraw/zinc/93/50/15/570935015.db2.gz BKTNAWQRYXSUJA-UHFFFAOYSA-N 1 0 353.894 3.981 50 0 FHAARO Clc1ccccc1COc1ccc(C[NH2+]CCCN2CCOCC2)cc1 ZINC000022074028 570939197 /nfs/dbraw/zinc/93/91/97/570939197.db2.gz ZQOPFOHTNZXWQD-UHFFFAOYSA-N 1 0 374.912 3.731 50 0 FHAARO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1ccc(F)cc1Cl ZINC000022074920 570939293 /nfs/dbraw/zinc/93/92/93/570939293.db2.gz FOKKRQHWQORCNJ-UHFFFAOYSA-N 1 0 366.864 3.718 50 0 FHAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1[nH]nc2ccccc21 ZINC000022619603 570947791 /nfs/dbraw/zinc/94/77/91/570947791.db2.gz MDJOFLMXDIHEMX-GOSISDBHSA-N 1 0 368.868 3.783 50 0 FHAARO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000022804443 570950176 /nfs/dbraw/zinc/95/01/76/570950176.db2.gz RTUNJAOKVMRPCL-YJBOKZPZSA-N 1 0 359.445 3.563 50 0 FHAARO COc1ccc2cc(-c3n[nH]cc3CN(C)C[C@@H]3CCC[N@@H+]3C)ccc2c1 ZINC000022851523 570950916 /nfs/dbraw/zinc/95/09/16/570950916.db2.gz NOGASNABZBYSPC-FQEVSTJZSA-N 1 0 364.493 3.765 50 0 FHAARO CN(C)c1ncc(CN(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)s1 ZINC000022852420 570951835 /nfs/dbraw/zinc/95/18/35/570951835.db2.gz BAWBOKJCKKKAMT-LJQANCHMSA-N 1 0 372.582 3.738 50 0 FHAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000022936716 570953783 /nfs/dbraw/zinc/95/37/83/570953783.db2.gz WPWCPUKNRABVDR-NRFANRHFSA-N 1 0 368.521 3.891 50 0 FHAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000022935997 570954093 /nfs/dbraw/zinc/95/40/93/570954093.db2.gz YQQSSHJWCKOONX-FQEVSTJZSA-N 1 0 354.494 3.848 50 0 FHAARO c1[nH]c2ccccc2c1-c1nc2c(c(N3C[C@@H]4CC=CC[C@@H]4C3)n1)C[NH2+]C2 ZINC000072161751 570958475 /nfs/dbraw/zinc/95/84/75/570958475.db2.gz OVDGLTCANRRFAX-GASCZTMLSA-N 1 0 357.461 3.631 50 0 FHAARO COc1ccc(OC)c(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000048784738 570959860 /nfs/dbraw/zinc/95/98/60/570959860.db2.gz VNWSHPDUFISQFF-UHFFFAOYSA-N 1 0 357.454 3.524 50 0 FHAARO Clc1ccc(CN2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000023248580 570961002 /nfs/dbraw/zinc/96/10/02/570961002.db2.gz KXRMFGCJHIPXIN-UHFFFAOYSA-N 1 0 366.896 3.844 50 0 FHAARO CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1(C)C ZINC000024714394 570980586 /nfs/dbraw/zinc/98/05/86/570980586.db2.gz MSVQPEVWVSTSNW-ICSRJNTNSA-N 1 0 355.526 3.924 50 0 FHAARO O=C(NCCC[NH+]1CCCCC1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000024768853 570982346 /nfs/dbraw/zinc/98/23/46/570982346.db2.gz TXWDDLHHGIYVEZ-UHFFFAOYSA-N 1 0 368.452 3.663 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2)o1)c1ccsc1 ZINC000025329538 570993861 /nfs/dbraw/zinc/99/38/61/570993861.db2.gz PISAODLSXGLNRL-GOSISDBHSA-N 1 0 370.474 3.953 50 0 FHAARO CC(C)(CNC(=O)c1ccccc1OC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000025464207 570996495 /nfs/dbraw/zinc/99/64/95/570996495.db2.gz KTNDLOUGLTXJSJ-UHFFFAOYSA-N 1 0 374.431 3.855 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2sccc2C)cc1 ZINC000026311219 571004708 /nfs/dbraw/zinc/00/47/08/571004708.db2.gz ICOGINNSXXIAIB-HNNXBMFYSA-N 1 0 366.552 3.938 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccco2)on1)c1ccccc1 ZINC000027087776 571010233 /nfs/dbraw/zinc/01/02/33/571010233.db2.gz JDNJWZDCXFIPDY-QGZVFWFLSA-N 1 0 353.422 3.748 50 0 FHAARO Cc1cccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1C ZINC000027582261 571014375 /nfs/dbraw/zinc/01/43/75/571014375.db2.gz MRHTUYMPHOKXAI-QGZVFWFLSA-N 1 0 358.507 3.697 50 0 FHAARO Cc1cc(C)cc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027584275 571015289 /nfs/dbraw/zinc/01/52/89/571015289.db2.gz QMYNPWGBXFHDMX-GOSISDBHSA-N 1 0 358.507 3.697 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Cc2ccccc2)[NH+]2CCCCCC2)cc1 ZINC000027793780 571021711 /nfs/dbraw/zinc/02/17/11/571021711.db2.gz PNCCWXWMKIAPOP-JOCHJYFZSA-N 1 0 366.505 3.971 50 0 FHAARO CC1CC[NH+](CCCNC(=O)c2ccc(COc3ccccc3)o2)CC1 ZINC000028067286 571026625 /nfs/dbraw/zinc/02/66/25/571026625.db2.gz KOWWTOGBURUULN-UHFFFAOYSA-N 1 0 356.466 3.710 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 ZINC000028402760 571031745 /nfs/dbraw/zinc/03/17/45/571031745.db2.gz JFYMEUOTHQFLOG-GOSISDBHSA-N 1 0 364.445 3.606 50 0 FHAARO O=C(NCc1ccc(F)cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038489609 571043710 /nfs/dbraw/zinc/04/37/10/571043710.db2.gz UUWQUMGDFYICGE-UHFFFAOYSA-N 1 0 361.486 3.599 50 0 FHAARO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000012686433 571044266 /nfs/dbraw/zinc/04/42/66/571044266.db2.gz RUACAQMLKDKDAT-OAHLLOKOSA-N 1 0 359.882 3.919 50 0 FHAARO COc1ccc(Nc2ccccc2C(=O)NC[C@]2(C)CCC[N@H+](C)C2)cc1 ZINC000225617010 571049933 /nfs/dbraw/zinc/04/99/33/571049933.db2.gz FUYVHVRWKIFCEQ-QFIPXVFZSA-N 1 0 367.493 3.901 50 0 FHAARO O=C(c1ccccc1OC1CC[NH+]([C@H]2CCSC2)CC1)N1CCCCC1 ZINC000012707680 571051137 /nfs/dbraw/zinc/05/11/37/571051137.db2.gz PIIIHGRFFPULRO-KRWDZBQOSA-N 1 0 374.550 3.661 50 0 FHAARO Cc1csc2c1ncn(CC[NH+]1CCC(c3ccccc3)CC1)c2=O ZINC000032573379 571058317 /nfs/dbraw/zinc/05/83/17/571058317.db2.gz POAZTUDZZPBRBD-UHFFFAOYSA-N 1 0 353.491 3.646 50 0 FHAARO Cc1csc2c1ncn(CC[N@@H+]1CCC[C@@H](c3ccccc3)C1)c2=O ZINC000032587159 571058728 /nfs/dbraw/zinc/05/87/28/571058728.db2.gz YLGFBHJAFOWRKZ-QGZVFWFLSA-N 1 0 353.491 3.646 50 0 FHAARO CCSCC[C@@H](C)[N@H+](C)CC(=O)N(Cc1ccccc1F)C1CC1 ZINC000072305341 571061005 /nfs/dbraw/zinc/06/10/05/571061005.db2.gz ULXKSGRXSUKZOW-OAHLLOKOSA-N 1 0 352.519 3.780 50 0 FHAARO O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cccc(Oc2ccncc2)c1 ZINC000072307220 571064294 /nfs/dbraw/zinc/06/42/94/571064294.db2.gz 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ZINC000012776915 571095420 /nfs/dbraw/zinc/09/54/20/571095420.db2.gz XYXMMJHQJANYGH-UHFFFAOYSA-N 1 0 353.418 3.626 50 0 FHAARO Cc1cc(C)cc(OCC[N@@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)c1 ZINC000012778176 571097025 /nfs/dbraw/zinc/09/70/25/571097025.db2.gz FQXOHTCTHRTXKZ-UHFFFAOYSA-N 1 0 367.445 3.935 50 0 FHAARO CCOc1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)n1 ZINC000069929043 571105762 /nfs/dbraw/zinc/10/57/62/571105762.db2.gz TVWPIMXZMOJWHK-AWEZNQCLSA-N 1 0 365.905 3.661 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCSc3ccccc3)cc2)CC1 ZINC000009368635 571107018 /nfs/dbraw/zinc/10/70/18/571107018.db2.gz PCPPXBDYVKUIHZ-UHFFFAOYSA-N 1 0 369.534 3.949 50 0 FHAARO COc1cc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)ccc1C ZINC000240444194 571109043 /nfs/dbraw/zinc/10/90/43/571109043.db2.gz FWMBPEOJJDWVJG-UHFFFAOYSA-N 1 0 356.466 3.608 50 0 FHAARO Cc1cccc(C[N@H+](CCC(=O)NC2CCCCC2)C[C@H]2CCCO2)c1 ZINC000240825182 571109231 /nfs/dbraw/zinc/10/92/31/571109231.db2.gz QNWCUNDCCBSJQA-OAQYLSRUSA-N 1 0 358.526 3.815 50 0 FHAARO Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000012807481 571111619 /nfs/dbraw/zinc/11/16/19/571111619.db2.gz PZVFFGSRPDQESO-UHFFFAOYSA-N 1 0 371.529 3.705 50 0 FHAARO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000243893748 571112781 /nfs/dbraw/zinc/11/27/81/571112781.db2.gz ATRZOHRBDOVPPE-UHFFFAOYSA-N 1 0 373.806 3.539 50 0 FHAARO CCC(CC)[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)[NH+](C)C ZINC000012811651 571113174 /nfs/dbraw/zinc/11/31/74/571113174.db2.gz ITTXFHRLZBMZNT-QGZVFWFLSA-N 1 0 362.905 3.664 50 0 FHAARO c1ccc2[nH]c(-c3cccc(OCCCC[NH+]4CCOCC4)c3)nc2c1 ZINC000055153164 571117031 /nfs/dbraw/zinc/11/70/31/571117031.db2.gz HCISPCGKASCEJP-UHFFFAOYSA-N 1 0 351.450 3.721 50 0 FHAARO O=C(N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000244794736 571117045 /nfs/dbraw/zinc/11/70/45/571117045.db2.gz QSNSPCWEMGWOEQ-QHAWAJNXSA-N 1 0 370.537 3.804 50 0 FHAARO O=C(Nc1ccccc1F)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000012820442 571121820 /nfs/dbraw/zinc/12/18/20/571121820.db2.gz QZERMZWJVNFYKJ-UHFFFAOYSA-N 1 0 364.424 3.724 50 0 FHAARO CN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccccc1 ZINC000012823273 571124453 /nfs/dbraw/zinc/12/44/53/571124453.db2.gz FQIRBYHHLUEQCT-UHFFFAOYSA-N 1 0 360.461 3.820 50 0 FHAARO CS(=O)(=O)c1ccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)cc1 ZINC000071758921 571124954 /nfs/dbraw/zinc/12/49/54/571124954.db2.gz DOBBGHNWWWWOSK-SFHVURJKSA-N 1 0 359.491 3.537 50 0 FHAARO CCCN(CCC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000249701557 571129188 /nfs/dbraw/zinc/12/91/88/571129188.db2.gz YNSXSEVICSOXRB-GOSISDBHSA-N 1 0 370.541 3.917 50 0 FHAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N(C(C)C)C(C)C)C2)nc2ccccc21 ZINC000249693155 571129216 /nfs/dbraw/zinc/12/92/16/571129216.db2.gz NSLVDCNDKDTSOG-GOSISDBHSA-N 1 0 370.541 3.914 50 0 FHAARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)N[C@H]1CCOc2ccccc21 ZINC000058407668 571132247 /nfs/dbraw/zinc/13/22/47/571132247.db2.gz LKAQDEVJECHQLD-FQEVSTJZSA-N 1 0 371.525 3.854 50 0 FHAARO CC(C)[NH+]1CCC(CN2CCc3nc[nH]c3[C@H]2Cc2ccccc2)CC1 ZINC000067885168 571151209 /nfs/dbraw/zinc/15/12/09/571151209.db2.gz HIYYRGFQBSEVSP-OAQYLSRUSA-N 1 0 352.526 3.672 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000012939905 571152185 /nfs/dbraw/zinc/15/21/85/571152185.db2.gz CKLFPFBUDRLDTQ-UHFFFAOYSA-N 1 0 360.523 3.624 50 0 FHAARO C[C@@H]1CCC[C@H](OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000075106037 571155036 /nfs/dbraw/zinc/15/50/36/571155036.db2.gz ASHCZBLTJLUGOC-UKAVVXHISA-N 1 0 358.526 3.751 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(F)c2)cc1 ZINC000026311204 571160905 /nfs/dbraw/zinc/16/09/05/571160905.db2.gz SVKHLVHBIRLCFQ-HNNXBMFYSA-N 1 0 364.486 3.707 50 0 FHAARO Cc1ncccc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071405759 571161312 /nfs/dbraw/zinc/16/13/12/571161312.db2.gz NUPRJFZPBONLAT-OAQYLSRUSA-N 1 0 369.484 3.902 50 0 FHAARO CCn1nc(C)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1C ZINC000071639054 571162947 /nfs/dbraw/zinc/16/29/47/571162947.db2.gz FLQFRNYIBZUHIE-DNVJHFABSA-N 1 0 364.537 3.582 50 0 FHAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](CCc4cn[nH]c4)C3)ccc2c1 ZINC000071639260 571163326 /nfs/dbraw/zinc/16/33/26/571163326.db2.gz LBUDLSPOYQDAGG-HXUWFJFHSA-N 1 0 363.461 3.709 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2cccc3cnccc32)CCC[N@@H+]1CC1CC1 ZINC000071730201 571164093 /nfs/dbraw/zinc/16/40/93/571164093.db2.gz RSOGEMVINNGCCR-NRFANRHFSA-N 1 0 351.494 3.817 50 0 FHAARO CCCNC(=O)c1ccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)nc1 ZINC000071752405 571165043 /nfs/dbraw/zinc/16/50/43/571165043.db2.gz CHLZYFUOAJKJEY-IBGZPJMESA-N 1 0 367.493 3.669 50 0 FHAARO CC(C)[C@@H]1CCC[N@H+](Cc2c(C(=O)N(C)C)nc3ccc(Cl)cn32)C1 ZINC000071767934 571166082 /nfs/dbraw/zinc/16/60/82/571166082.db2.gz IIHVCPQRGSXQIE-CQSZACIVSA-N 1 0 362.905 3.558 50 0 FHAARO COCCCN(C(=O)Nc1c(C)cccc1Cl)C1CC[NH+](C)CC1 ZINC000072121723 571170097 /nfs/dbraw/zinc/17/00/97/571170097.db2.gz FHQSJLNENOWUSM-UHFFFAOYSA-N 1 0 353.894 3.613 50 0 FHAARO COc1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(F)c1F ZINC000072120847 571170099 /nfs/dbraw/zinc/17/00/99/571170099.db2.gz DSHHGFFFCNSNMY-UHFFFAOYSA-N 1 0 364.411 3.820 50 0 FHAARO Cc1nc([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)cc(=O)[nH]1 ZINC000072129683 571170790 /nfs/dbraw/zinc/17/07/90/571170790.db2.gz HGHKFVFHVMLLOC-MRXNPFEDSA-N 1 0 366.490 3.581 50 0 FHAARO O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000072144750 571172631 /nfs/dbraw/zinc/17/26/31/571172631.db2.gz CDWUWYBVGLPAHN-LJQANCHMSA-N 1 0 358.485 3.964 50 0 FHAARO COc1ccccc1-c1cccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000072149132 571173958 /nfs/dbraw/zinc/17/39/58/571173958.db2.gz LDHAHFIHAWCPFC-LJQANCHMSA-N 1 0 352.478 3.919 50 0 FHAARO O=C(c1ccc2[nH]ccc2c1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072152795 571174614 /nfs/dbraw/zinc/17/46/14/571174614.db2.gz NSCROURPYWLEEN-YMPZKCBVSA-N 1 0 371.484 3.870 50 0 FHAARO Fc1ccc(-n2cccn2)c(C[NH+]2CCC(OCc3cccnc3)CC2)c1 ZINC000072154760 571175017 /nfs/dbraw/zinc/17/50/17/571175017.db2.gz AMDURQUENFDDQN-UHFFFAOYSA-N 1 0 366.440 3.588 50 0 FHAARO Fc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000072154666 571175115 /nfs/dbraw/zinc/17/51/15/571175115.db2.gz XNHFWTRSOLLIDQ-KRWDZBQOSA-N 1 0 374.422 3.921 50 0 FHAARO O=C(C[N@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1)NC1CC1 ZINC000072157766 571175378 /nfs/dbraw/zinc/17/53/78/571175378.db2.gz WHYTXRMTYPSTES-HNNXBMFYSA-N 1 0 354.416 3.629 50 0 FHAARO COc1ccc(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)c(OC)c1 ZINC000072163722 571176476 /nfs/dbraw/zinc/17/64/76/571176476.db2.gz DMIPPBHPDPRAEY-UHFFFAOYSA-N 1 0 353.462 3.827 50 0 FHAARO Cc1ccccc1C[NH+]1CCN(Cc2cnn(-c3cccc(F)c3)c2)CC1 ZINC000072165145 571176496 /nfs/dbraw/zinc/17/64/96/571176496.db2.gz CHUJFOGQLDAEAI-UHFFFAOYSA-N 1 0 364.468 3.638 50 0 FHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)o1 ZINC000072165562 571176609 /nfs/dbraw/zinc/17/66/09/571176609.db2.gz HHHFASWKOHKWHZ-HNNXBMFYSA-N 1 0 362.420 3.762 50 0 FHAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(c2noc(-c3ccccc3)n2)C1 ZINC000072172499 571177806 /nfs/dbraw/zinc/17/78/06/571177806.db2.gz KMVKJOZLCATPPK-LJQANCHMSA-N 1 0 363.465 3.623 50 0 FHAARO CCCN(CCC)CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000033286111 571185353 /nfs/dbraw/zinc/18/53/53/571185353.db2.gz OUUPBAHVKHOQLC-MHWRWJLKSA-N 1 0 362.451 3.531 50 0 FHAARO Cc1ccc(-c2nc3cc(F)ccc3cc2C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000072410668 571192037 /nfs/dbraw/zinc/19/20/37/571192037.db2.gz FFXFNKMJIOLREU-FQEVSTJZSA-N 1 0 363.436 3.799 50 0 FHAARO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299760214 571193099 /nfs/dbraw/zinc/19/30/99/571193099.db2.gz SWAMOJJIOCCKOY-KRWDZBQOSA-N 1 0 360.461 3.562 50 0 FHAARO CSCC[NH+]1CCC(NC(=O)c2cccc(-c3ccnc(C)c3)c2)CC1 ZINC000299759606 571193147 /nfs/dbraw/zinc/19/31/47/571193147.db2.gz PGIZNVNDRXRBBF-UHFFFAOYSA-N 1 0 369.534 3.614 50 0 FHAARO CC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H](c2sccc2C)[NH+](C)C)c1 ZINC000299760865 571193434 /nfs/dbraw/zinc/19/34/34/571193434.db2.gz PTSAJXQRLYTPAD-KRWDZBQOSA-N 1 0 374.510 3.748 50 0 FHAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)Nc1ccccc1-c1ccccc1 ZINC000072424037 571193782 /nfs/dbraw/zinc/19/37/82/571193782.db2.gz YTGZPXJKXPOPFP-UHFFFAOYSA-N 1 0 360.461 3.615 50 0 FHAARO C[C@H](c1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)o1)[NH+]1CCCCC1 ZINC000072424369 571193812 /nfs/dbraw/zinc/19/38/12/571193812.db2.gz MQWCRXGWKFPKFA-OAHLLOKOSA-N 1 0 356.470 3.569 50 0 FHAARO CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000072429210 571195182 /nfs/dbraw/zinc/19/51/82/571195182.db2.gz QYAVOTBLASARKA-LJQANCHMSA-N 1 0 361.445 3.691 50 0 FHAARO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(O)c3)C2)CN1Cc1ccccc1 ZINC000072430720 571195462 /nfs/dbraw/zinc/19/54/62/571195462.db2.gz DIURUXPZRUYHOC-HSZRJFAPSA-N 1 0 364.489 3.797 50 0 FHAARO O=C(CCc1cccnc1)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299772518 571196205 /nfs/dbraw/zinc/19/62/05/571196205.db2.gz AKXKXADDAFWZCF-IBGZPJMESA-N 1 0 357.885 3.621 50 0 FHAARO COc1ccccc1Oc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299779353 571197519 /nfs/dbraw/zinc/19/75/19/571197519.db2.gz RMNOEOHOUQDKDT-INIZCTEOSA-N 1 0 367.449 3.799 50 0 FHAARO C[NH+](C)CC[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c(Cl)c1 ZINC000072456796 571197675 /nfs/dbraw/zinc/19/76/75/571197675.db2.gz MMJVJQMPBCAYQO-KRWDZBQOSA-N 1 0 363.933 3.887 50 0 FHAARO O=C(Nc1ccc(/C=C/c2ccccn2)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000299779379 571197743 /nfs/dbraw/zinc/19/77/43/571197743.db2.gz NMCRAZDSRLLIGF-PABBZOGXSA-N 1 0 362.477 3.859 50 0 FHAARO CCCN1C(=O)CC[C@H]2C[N@@H+](Cc3coc(-c4ccccc4)n3)CC[C@H]21 ZINC000072473645 571198676 /nfs/dbraw/zinc/19/86/76/571198676.db2.gz XFXBLYAELLANHY-PKOBYXMFSA-N 1 0 353.466 3.565 50 0 FHAARO Cc1nc(CNC(=O)Nc2ccccc2OC2CC[NH+](C)CC2)sc1C ZINC000299782933 571198703 /nfs/dbraw/zinc/19/87/03/571198703.db2.gz NOUHAHSHYVWMLW-UHFFFAOYSA-N 1 0 374.510 3.555 50 0 FHAARO COc1ccc(Cl)cc1-c1cccc(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000299782804 571198715 /nfs/dbraw/zinc/19/87/15/571198715.db2.gz NJLTUKVKLSDRHH-UHFFFAOYSA-N 1 0 358.869 3.793 50 0 FHAARO C[C@H](NC(=O)c1ccc(Cl)cc1OCCC[NH3+])c1ccc(F)cc1F ZINC000299785591 571199274 /nfs/dbraw/zinc/19/92/74/571199274.db2.gz KSBCIXNCQKERTO-NSHDSACASA-N 1 0 368.811 3.837 50 0 FHAARO CC(C)(C)N[N+](=O)c1cc(Br)cc(Br)c1N ZINC000255187538 571200377 /nfs/dbraw/zinc/20/03/77/571200377.db2.gz FFQBLBIUXKONMG-UHFFFAOYSA-N 1 0 352.050 3.507 50 0 FHAARO CSCC[NH+]1CCC(NC(=O)c2cccc(-c3cccs3)c2)CC1 ZINC000299790217 571200506 /nfs/dbraw/zinc/20/05/06/571200506.db2.gz BBCSQKQKFIOJEP-UHFFFAOYSA-N 1 0 360.548 3.972 50 0 FHAARO O=C(CCc1cccc(F)c1)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000299793369 571201271 /nfs/dbraw/zinc/20/12/71/571201271.db2.gz GCRAIQRJPJFYDZ-HXUWFJFHSA-N 1 0 358.432 3.851 50 0 FHAARO O=C(c1ccnc2ccccc21)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000073954996 571201354 /nfs/dbraw/zinc/20/13/54/571201354.db2.gz OPPIIRALBKBPAL-UHFFFAOYSA-N 1 0 351.475 3.644 50 0 FHAARO COCC[NH+]1CCC(CN(C)C(=O)Nc2cccc3cc(C)oc32)CC1 ZINC000299793897 571201686 /nfs/dbraw/zinc/20/16/86/571201686.db2.gz IPALUVCGLYXYER-UHFFFAOYSA-N 1 0 359.470 3.563 50 0 FHAARO CC(C)n1cc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)nn1 ZINC000299799179 571202820 /nfs/dbraw/zinc/20/28/20/571202820.db2.gz RERKOPQIMGLTRH-GOSISDBHSA-N 1 0 370.501 3.598 50 0 FHAARO CC(C)n1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)nn1 ZINC000299799183 571202967 /nfs/dbraw/zinc/20/29/67/571202967.db2.gz RERKOPQIMGLTRH-SFHVURJKSA-N 1 0 370.501 3.598 50 0 FHAARO Cc1ccccc1[C@H](CNC(=O)N(C)Cc1ccon1)[NH+]1CCC(C)CC1 ZINC000534591689 571205712 /nfs/dbraw/zinc/20/57/12/571205712.db2.gz MNIAMYFCHFIRKX-FQEVSTJZSA-N 1 0 370.497 3.598 50 0 FHAARO C[C@@H](Cc1cccnc1)NC(=O)c1ccc(-c2ccc(C[NH+](C)C)cn2)cc1 ZINC000534634893 571206924 /nfs/dbraw/zinc/20/69/24/571206924.db2.gz OXMGCZXQWZKYEE-KRWDZBQOSA-N 1 0 374.488 3.566 50 0 FHAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2OC)nc1 ZINC000077392617 571209885 /nfs/dbraw/zinc/20/98/85/571209885.db2.gz VWEKCOLSOPFPND-SFHVURJKSA-N 1 0 355.482 3.933 50 0 FHAARO CC1(C)CC(NC(=O)C[C@@H](c2ccsc2)n2cccc2)CC(C)(C)[NH2+]1 ZINC000263588779 571211577 /nfs/dbraw/zinc/21/15/77/571211577.db2.gz YGCYJLRARFHXOR-KRWDZBQOSA-N 1 0 359.539 3.955 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccccn2)cc1 ZINC000077536423 571214789 /nfs/dbraw/zinc/21/47/89/571214789.db2.gz NDTNWHPENCYAKR-OAQYLSRUSA-N 1 0 351.494 3.830 50 0 FHAARO COCCCN1C[C@]2(CCC[N@H+](Cc3ccc4occc4c3)C2)CCC1=O ZINC000077538863 571215017 /nfs/dbraw/zinc/21/50/17/571215017.db2.gz IHFHLRPXJBTPIH-JOCHJYFZSA-N 1 0 370.493 3.674 50 0 FHAARO COCCCN1C[C@@]2(CCC[N@H+](Cc3ccc4occc4c3)C2)CCC1=O ZINC000077538857 571215054 /nfs/dbraw/zinc/21/50/54/571215054.db2.gz IHFHLRPXJBTPIH-QFIPXVFZSA-N 1 0 370.493 3.674 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(Br)c1)c1cccs1 ZINC000023105563 571215821 /nfs/dbraw/zinc/21/58/21/571215821.db2.gz WDKVGOSMMKLZFP-ZDUSSCGKSA-N 1 0 353.285 3.543 50 0 FHAARO CN(Cc1ccccc1C(F)(F)F)C(=O)NCC[C@H]1CCCC[N@@H+]1C ZINC000426373638 571216566 /nfs/dbraw/zinc/21/65/66/571216566.db2.gz ONVDGLFYPVEASP-OAHLLOKOSA-N 1 0 357.420 3.721 50 0 FHAARO Cc1cc(N)[nH+]c(C)c1-c1ccc(C(=O)N(Cc2ccccn2)C2CC2)cc1 ZINC000426423732 571223562 /nfs/dbraw/zinc/22/35/62/571223562.db2.gz RIXBEBRBCSEJDR-UHFFFAOYSA-N 1 0 372.472 3.978 50 0 FHAARO Cn1cc(CNC(=O)c2ccc(-c3ccc(C[NH+]4CCCC4)cc3)cc2)cn1 ZINC000426515527 571229528 /nfs/dbraw/zinc/22/95/28/571229528.db2.gz LVKCCMHHUMKYER-UHFFFAOYSA-N 1 0 374.488 3.613 50 0 FHAARO c1c(CNc2nc3ccccc3o2)nn2c1C[N@H+](C1CCCCC1)CC2 ZINC000082161604 571229607 /nfs/dbraw/zinc/22/96/07/571229607.db2.gz BYTJOPBTBQSNSS-UHFFFAOYSA-N 1 0 351.454 3.785 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cc(C(C)C)no3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426531097 571230282 /nfs/dbraw/zinc/23/02/82/571230282.db2.gz ZFXKWJBFASPLHD-NBHGPNQESA-N 1 0 371.481 3.784 50 0 FHAARO O=C(c1ccc(-c2ccncc2F)cc1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000426563215 571231887 /nfs/dbraw/zinc/23/18/87/571231887.db2.gz VLVCPIDCMOGZPB-LJQANCHMSA-N 1 0 367.468 3.978 50 0 FHAARO Cc1cc(Cl)ccc1-c1cccc(C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000426575169 571232083 /nfs/dbraw/zinc/23/20/83/571232083.db2.gz VHFPIDOQNFWMCL-UHFFFAOYSA-N 1 0 372.896 3.502 50 0 FHAARO CO[C@]12CC[N@H+](Cc3ccc(Cl)c(Cl)c3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426606752 571233032 /nfs/dbraw/zinc/23/30/32/571233032.db2.gz NYTVWWLCZXANFQ-JCGIZDLHSA-N 1 0 374.308 3.514 50 0 FHAARO O=C(c1ccc(Cl)cc1)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651562 571233596 /nfs/dbraw/zinc/23/35/96/571233596.db2.gz JEJFMPZIGPQHMP-UHFFFAOYSA-N 1 0 371.864 3.910 50 0 FHAARO Cc1cncnc1C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000426674244 571234773 /nfs/dbraw/zinc/23/47/73/571234773.db2.gz PPCBETFQYPOZRG-AZUAARDMSA-N 1 0 370.541 3.536 50 0 FHAARO Cc1cc(Cl)ccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091326211 571238951 /nfs/dbraw/zinc/23/89/51/571238951.db2.gz MALSLJVWRRNEJM-QFBILLFUSA-N 1 0 369.896 3.780 50 0 FHAARO c1cc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3cscn3)C4)ccc2[nH]1 ZINC000091445046 571239908 /nfs/dbraw/zinc/23/99/08/571239908.db2.gz AUFQEMIYSSPTQT-QFBILLFUSA-N 1 0 352.507 3.721 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2cccc(F)c2)C3)cc1 ZINC000091526310 571240378 /nfs/dbraw/zinc/24/03/78/571240378.db2.gz PLLYNZUHARUCDZ-FXAWDEMLSA-N 1 0 368.452 3.571 50 0 FHAARO O=C1CCC2(CC[NH+](C[C@H]3CC=CCC3)CC2)CN1Cc1cccnc1 ZINC000091551011 571240593 /nfs/dbraw/zinc/24/05/93/571240593.db2.gz AQRRVXGEXWABNE-IBGZPJMESA-N 1 0 353.510 3.643 50 0 FHAARO O=C(c1cccnc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc3ccccc3c2)C1 ZINC000091594964 571241020 /nfs/dbraw/zinc/24/10/20/571241020.db2.gz LFYPXBDRSNDUGT-AUSIDOKSSA-N 1 0 371.484 3.971 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000091624666 571241206 /nfs/dbraw/zinc/24/12/06/571241206.db2.gz VQBRRUOLYVYYAI-LJQANCHMSA-N 1 0 351.494 3.747 50 0 FHAARO COc1ccccc1-c1ncc(CNC(=O)CC[C@H]2CCC[N@H+](C)C2)s1 ZINC000091714017 571242710 /nfs/dbraw/zinc/24/27/10/571242710.db2.gz GCSQSCJNZFJNKN-OAHLLOKOSA-N 1 0 373.522 3.557 50 0 FHAARO Cc1c2cc(F)ccc2[nH]c1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091746617 571243302 /nfs/dbraw/zinc/24/33/02/571243302.db2.gz KAMGAISOEFUWHN-NVXWUHKLSA-N 1 0 355.457 3.562 50 0 FHAARO O=C(CCCn1cccc1)N(CC1CC1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731616 571258682 /nfs/dbraw/zinc/25/86/82/571258682.db2.gz DXTLZPWNHOQVAC-LEWJYISDSA-N 1 0 357.542 3.771 50 0 FHAARO Cc1oc2c(c1C(=O)NC1CCCC1)CN(Cc1cccc(F)c1)CC2 ZINC000065291999 571260623 /nfs/dbraw/zinc/26/06/23/571260623.db2.gz SOSFWUSYPSVXOS-UHFFFAOYSA-N 1 0 356.441 3.958 50 0 FHAARO O=C(CCCOc1cccc(Cl)c1Cl)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000065610487 571265409 /nfs/dbraw/zinc/26/54/09/571265409.db2.gz GJBZEENPRILFRO-AWEZNQCLSA-N 1 0 371.308 3.849 50 0 FHAARO Cc1nc(-c2cccc(C(=O)NC[C@@H]3CCC[N@H+]3CC(C)C)c2)cs1 ZINC000089712631 571272551 /nfs/dbraw/zinc/27/25/51/571272551.db2.gz MJXRRACKTCLATO-SFHVURJKSA-N 1 0 357.523 3.969 50 0 FHAARO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000089920338 571274063 /nfs/dbraw/zinc/27/40/63/571274063.db2.gz KEYLEUDRBQUABH-YJBOKZPZSA-N 1 0 350.441 3.999 50 0 FHAARO COCC(=O)N(c1ccccc1F)C1CC[NH+](CCc2ccccc2)CC1 ZINC000000538120 571275445 /nfs/dbraw/zinc/27/54/45/571275445.db2.gz NYISTOZKVCMVEL-UHFFFAOYSA-N 1 0 370.468 3.512 50 0 investigational FHAARO CC[C@H](C)n1ncc(C(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)c1C ZINC000252484806 571280335 /nfs/dbraw/zinc/28/03/35/571280335.db2.gz GIFIPSYELVEVEN-KRWDZBQOSA-N 1 0 368.525 3.865 50 0 FHAARO O=C(c1cc(C2CC2)on1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000252549095 571283305 /nfs/dbraw/zinc/28/33/05/571283305.db2.gz QUJBQWYWHPVZIB-QFIPXVFZSA-N 1 0 365.477 3.680 50 0 FHAARO O=C(c1cc(C2CC2)on1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000252549094 571283344 /nfs/dbraw/zinc/28/33/44/571283344.db2.gz QUJBQWYWHPVZIB-JOCHJYFZSA-N 1 0 365.477 3.680 50 0 FHAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052010443 571309015 /nfs/dbraw/zinc/30/90/15/571309015.db2.gz MADMEHWBSXLMQE-OAHLLOKOSA-N 1 0 363.845 3.811 50 0 FHAARO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc2cccc(F)c2)C12CCCC2 ZINC000253430011 571313375 /nfs/dbraw/zinc/31/33/75/571313375.db2.gz PKEVQKRUZNAJLH-ZYSHUDEJSA-N 1 0 362.489 3.500 50 0 FHAARO O=C(NC1(c2ccccc2Cl)CC1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000584894233 571315097 /nfs/dbraw/zinc/31/50/97/571315097.db2.gz CHGUAAJAVVBXKO-MRXNPFEDSA-N 1 0 361.917 3.989 50 0 FHAARO COc1ccc(C(F)(F)F)cc1-c1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000584900836 571316168 /nfs/dbraw/zinc/31/61/68/571316168.db2.gz URDVKXAUXNBBLD-OAHLLOKOSA-N 1 0 364.367 3.554 50 0 FHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1c[nH]c(=O)c2ccccc12 ZINC000253537003 571318848 /nfs/dbraw/zinc/31/88/48/571318848.db2.gz YLVVPUQOKDFHTG-HXUWFJFHSA-N 1 0 361.445 3.507 50 0 FHAARO COc1ccc(C[NH2+]Cc2cc(F)cc(Br)c2)c(OC)c1 ZINC000077507287 571321042 /nfs/dbraw/zinc/32/10/42/571321042.db2.gz WTXLABJPNPWSMO-UHFFFAOYSA-N 1 0 354.219 3.895 50 0 FHAARO C[C@H](NC(=O)Nc1ccc2c(c1)COC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376823527 571322678 /nfs/dbraw/zinc/32/26/78/571322678.db2.gz PLZXBKPWLRYIOO-FUHWJXTLSA-N 1 0 365.477 3.749 50 0 FHAARO CC(=O)c1ccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1 ZINC000078599947 571323409 /nfs/dbraw/zinc/32/34/09/571323409.db2.gz UHLMYOVXQLAKGD-UHFFFAOYSA-N 1 0 368.502 3.999 50 0 FHAARO Cc1cc(C)c2c(c1)[nH]c(C)c(C[NH+]1CCN(c3ccccc3)CC1)c2=O ZINC000019793547 571327287 /nfs/dbraw/zinc/32/72/87/571327287.db2.gz UFQGSJBMGVGFPE-UHFFFAOYSA-N 1 0 361.489 3.776 50 0 FHAARO CC(C)Oc1ccc([C@H](O)C[NH2+]Cc2cn(C)nc2-c2cccs2)cc1 ZINC000093965576 571327354 /nfs/dbraw/zinc/32/73/54/571327354.db2.gz UHUCXGVFPUAPQI-GOSISDBHSA-N 1 0 371.506 3.759 50 0 FHAARO COc1cc(CNc2cccc(CC[NH+]3CCCC3)c2)cc(OC)c1OC ZINC000094014786 571327372 /nfs/dbraw/zinc/32/73/72/571327372.db2.gz MFHWRFBBOMKVHV-UHFFFAOYSA-N 1 0 370.493 3.963 50 0 FHAARO Cn1ccc2c1cccc2C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000079493984 571327598 /nfs/dbraw/zinc/32/75/98/571327598.db2.gz KPIBAIXEBDKTKV-UHFFFAOYSA-N 1 0 365.452 3.712 50 0 FHAARO Cc1ccc(OCC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000095397786 571329322 /nfs/dbraw/zinc/32/93/22/571329322.db2.gz HHEQNYQLYAAHSE-SFHVURJKSA-N 1 0 352.478 3.716 50 0 FHAARO C[C@@H]1Cc2ccc(Br)cc2[C@@H]1[NH2+]CCSCC(C)(C)O ZINC000095451018 571329876 /nfs/dbraw/zinc/32/98/76/571329876.db2.gz FTMJKCAOUVXJHY-IAQYHMDHSA-N 1 0 358.345 3.776 50 0 FHAARO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000095456152 571330024 /nfs/dbraw/zinc/33/00/24/571330024.db2.gz UPZZLHYQACOFHA-UHFFFAOYSA-N 1 0 352.910 3.744 50 0 FHAARO C[NH+]1CCC(C)(CNC(=O)c2ccc(SCc3cccnc3)cc2)CC1 ZINC000095468524 571330586 /nfs/dbraw/zinc/33/05/86/571330586.db2.gz MCEMIXHLDCPEHR-UHFFFAOYSA-N 1 0 369.534 3.836 50 0 FHAARO C[N@@H+]1CCc2c(CNC(=O)NC3CCCCC3)c(-n3cccc3)sc2C1 ZINC000020865042 571331879 /nfs/dbraw/zinc/33/18/79/571331879.db2.gz SKLRZLHGTUHJGZ-UHFFFAOYSA-N 1 0 372.538 3.659 50 0 FHAARO CC1CCN(c2nnc(-n3cccc3C[NH+]3CCC(C)CC3)s2)CC1 ZINC000020942735 571332044 /nfs/dbraw/zinc/33/20/44/571332044.db2.gz IRRBSZUCFCBWIL-UHFFFAOYSA-N 1 0 359.543 3.797 50 0 FHAARO Cc1cccc(OC2CCN([C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000095940895 571332394 /nfs/dbraw/zinc/33/23/94/571332394.db2.gz XYICZOAVYOAXPN-OAQYLSRUSA-N 1 0 365.521 3.898 50 0 FHAARO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)cc2)C[C@H](C)O1 ZINC000096003155 571333717 /nfs/dbraw/zinc/33/37/17/571333717.db2.gz MCRIAALTXYIHNB-WOSNLTMFSA-N 1 0 370.537 3.994 50 0 FHAARO CCOc1c(Cl)cc(CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)cc1OC ZINC000096013682 571334022 /nfs/dbraw/zinc/33/40/22/571334022.db2.gz IVPILHPOKSXHAA-LBPRGKRZSA-N 1 0 356.894 3.530 50 0 FHAARO CC1CC[NH+](CCCNC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000030992393 571350192 /nfs/dbraw/zinc/35/01/92/571350192.db2.gz YCIJMWASWIQBAK-UHFFFAOYSA-N 1 0 373.419 3.506 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)OCCCO2)c1ccsc1 ZINC000031986823 571354759 /nfs/dbraw/zinc/35/47/59/571354759.db2.gz CFELXRGVWHVWSD-QGZVFWFLSA-N 1 0 374.506 3.722 50 0 FHAARO CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(c3cccc(Cl)n3)CC2)[C@H]1O ZINC000023153300 937078885 /nfs/dbraw/zinc/07/88/85/937078885.db2.gz NYMIWGCBAPRUEZ-UXHICEINSA-N 1 0 371.912 3.641 50 0 FHAARO COc1cccc2c1CC[N@H+](Cc1cnc3c(cnn3C(C)C)c1)CC2 ZINC000193710952 930208950 /nfs/dbraw/zinc/20/89/50/930208950.db2.gz IDHJMPODVQROCB-UHFFFAOYSA-N 1 0 350.466 3.622 50 0 FHAARO CC[C@H]1CCCN(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000117396392 931796351 /nfs/dbraw/zinc/79/63/51/931796351.db2.gz DKOXKINMZMURSN-SFHVURJKSA-N 1 0 358.530 3.873 50 0 FHAARO CC1(C(=O)N[C@@H](C2CC2)C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000290043903 932003743 /nfs/dbraw/zinc/00/37/43/932003743.db2.gz ILSSJNCPVJYJAR-INIZCTEOSA-N 1 0 354.416 3.746 50 0 FHAARO CC(C)COc1ccccc1[C@@H](CC(C)C)[NH2+]C1CCS(=O)(=O)CC1 ZINC000291251013 934645475 /nfs/dbraw/zinc/64/54/75/934645475.db2.gz VYVSFYZIRCMULQ-LJQANCHMSA-N 1 0 367.555 3.975 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3C(C)(C)O)cs2)c(OC)c1 ZINC000119046323 938578512 /nfs/dbraw/zinc/57/85/12/938578512.db2.gz WGEJQYCRMHKBGF-QGZVFWFLSA-N 1 0 362.495 3.563 50 0 FHAARO Cc1cc(N2CCN(C(=O)Nc3cc(F)ccc3Cl)CC2)cc(C)[nH+]1 ZINC000096141812 939201947 /nfs/dbraw/zinc/20/19/47/939201947.db2.gz VHVZUBRYHFKBQB-UHFFFAOYSA-N 1 0 362.836 3.845 50 0 FHAARO COc1ccc(Br)cc1C[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000023280999 939966127 /nfs/dbraw/zinc/96/61/27/939966127.db2.gz ZXUDZBWIGZDIFU-MRXNPFEDSA-N 1 0 350.256 3.623 50 0 FHAARO c1cn(-c2ccc(C[N@@H+](Cc3ccccc3)CC3CCOCC3)cn2)cn1 ZINC000177159199 939973759 /nfs/dbraw/zinc/97/37/59/939973759.db2.gz RDNWRQHZFKVCAK-UHFFFAOYSA-N 1 0 362.477 3.696 50 0 FHAARO O=C(c1ccncc1)N1CCC(Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000581810110 940617621 /nfs/dbraw/zinc/61/76/21/940617621.db2.gz XVFCLTAJSLYDIF-UHFFFAOYSA-N 1 0 363.505 3.772 50 0 FHAARO CCCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)[C@H]1CC[NH2+]C1 ZINC000178887906 941834975 /nfs/dbraw/zinc/83/49/75/941834975.db2.gz CJIIJWFDMMDSHA-AWEZNQCLSA-N 1 0 361.873 3.528 50 0 FHAARO CCN(CC[NH+](C)C)C(=O)c1cccc(-c2[nH]cnc2-c2ccccc2)c1 ZINC000426689847 941973033 /nfs/dbraw/zinc/97/30/33/941973033.db2.gz JHJUVLVKLSFSPZ-UHFFFAOYSA-N 1 0 362.477 3.767 50 0 FHAARO COc1cccc(CCC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)CC2)c1 ZINC000257178809 942533615 /nfs/dbraw/zinc/53/36/15/942533615.db2.gz CCSUNABGMSUATO-NRFANRHFSA-N 1 0 372.553 3.988 50 0 FHAARO Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000257190902 942656506 /nfs/dbraw/zinc/65/65/06/942656506.db2.gz PDWMDFHHVTVFOM-INIZCTEOSA-N 1 0 359.495 3.624 50 0 FHAARO CO[C@H]1C(=O)N(c2cccc(F)c2)C12CC[NH+](Cc1sccc1C)CC2 ZINC000257176656 942778964 /nfs/dbraw/zinc/77/89/64/942778964.db2.gz CVWDIYPVVCYRGJ-SFHVURJKSA-N 1 0 374.481 3.592 50 0 FHAARO CCN1CCCn2nc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)cc2C1=O ZINC000675010299 943603809 /nfs/dbraw/zinc/60/38/09/943603809.db2.gz NWNHAGLTBHWAFR-GOSISDBHSA-N 1 0 358.530 3.509 50 0 FHAARO Cc1nnc([C@@H]2CC[N@H+](CC3CCCCC3)CCN2Cc2ccccc2)[nH]1 ZINC000675012702 943611497 /nfs/dbraw/zinc/61/14/97/943611497.db2.gz CCOVRRWSEGLWBU-NRFANRHFSA-N 1 0 367.541 3.942 50 0 FHAARO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000120946991 946929364 /nfs/dbraw/zinc/92/93/64/946929364.db2.gz OLTVSFOZFSFPPE-INIZCTEOSA-N 1 0 363.465 3.514 50 0 FHAARO Fc1ccc2nc([C@H]3CCC[N@H+](Cc4cc5n(n4)CCCC5)C3)oc2c1 ZINC000888094283 948398838 /nfs/dbraw/zinc/39/88/38/948398838.db2.gz FYYPUJVCTTZQEW-AWEZNQCLSA-N 1 0 354.429 3.879 50 0 FHAARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1Oc1cccnc1)C2 ZINC000299798989 223103711 /nfs/dbraw/zinc/10/37/11/223103711.db2.gz WSXRMCILZSLPIB-IGOJGBNBSA-N 1 0 366.465 3.678 50 0 FHAARO CSc1ccccc1NC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000299757453 203751049 /nfs/dbraw/zinc/75/10/49/203751049.db2.gz HQRQABUBPVIJDO-UHFFFAOYSA-N 1 0 356.495 3.856 50 0 FHAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)Nc3ccccc3Oc3ccc(F)cc3)C[C@H]12 ZINC000299761241 203755344 /nfs/dbraw/zinc/75/53/44/203755344.db2.gz XWTPAMJRJOXBET-NNZMDNLPSA-N 1 0 369.440 3.889 50 0 FHAARO c1ccc2sc(-c3cc4c(c(O[C@@H]5CCOC5)c3)OCC[NH2+]C4)nc2c1 ZINC000299776646 203764188 /nfs/dbraw/zinc/76/41/88/203764188.db2.gz BOKYRSWWFIEFDT-OAHLLOKOSA-N 1 0 368.458 3.613 50 0 FHAARO O=C(/C=C\SCc1ccco1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096057878 203926121 /nfs/dbraw/zinc/92/61/21/203926121.db2.gz JCCCENKMROUZHZ-UVTDQMKNSA-N 1 0 356.491 3.807 50 0 FHAARO CC(C)c1nc2sc3c(ncnc3NCC[NH+](C)C)c2c2c1CCC2 ZINC000002429322 204039324 /nfs/dbraw/zinc/03/93/24/204039324.db2.gz WBSHJVNYEUTEEG-UHFFFAOYSA-N 1 0 355.511 3.825 50 0 FHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(F)cc1F ZINC000009750884 203998346 /nfs/dbraw/zinc/99/83/46/203998346.db2.gz XHOIZWDLAAAWAU-HNNXBMFYSA-N 1 0 351.422 3.985 50 0 FHAARO Cc1ccc2c(c1)c1c3n2CCN(C(=O)C[NH+]2CCCCC2)[C@H]3CCC1 ZINC000001422575 204005387 /nfs/dbraw/zinc/00/53/87/204005387.db2.gz GSHKTTHBEVRVCK-FQEVSTJZSA-N 1 0 351.494 3.655 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)COc1ccccc1F)c1cccc2ccccc21 ZINC000010330516 204009174 /nfs/dbraw/zinc/00/91/74/204009174.db2.gz CTHUKAPNDFPQMA-HXUWFJFHSA-N 1 0 366.436 3.777 50 0 FHAARO CC(C)c1nc2oc3c(ncnc3NCCC[NH+](C)C)c2c2c1CCC2 ZINC000002359851 204034869 /nfs/dbraw/zinc/03/48/69/204034869.db2.gz OFIMRTYKUMGAEX-UHFFFAOYSA-N 1 0 353.470 3.747 50 0 FHAARO COc1ccc(N2C[C@](O)(c3ccc(C)cc3)[N+]3=C2CCCCC3)cc1 ZINC000002974571 204071259 /nfs/dbraw/zinc/07/12/59/204071259.db2.gz NCKDUONQOOVDAV-QFIPXVFZSA-N 1 0 351.470 3.654 50 0 FHAARO CCOc1ccc([C@]2(O)C[N+](c3cc(C)ccc3C)=C3CCCCN32)cc1 ZINC000002966285 204071382 /nfs/dbraw/zinc/07/13/82/204071382.db2.gz UPLNSNMCHRIXBD-HSZRJFAPSA-N 1 0 365.497 3.962 50 0 FHAARO CCCC[NH2+]CCOCCOc1ccc(Cl)cc1Br ZINC000003002025 204073555 /nfs/dbraw/zinc/07/35/55/204073555.db2.gz IQVIKDPRDJNOIH-UHFFFAOYSA-N 1 0 350.684 3.888 50 0 FHAARO C[NH+](C)CCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000003035114 204074312 /nfs/dbraw/zinc/07/43/12/204074312.db2.gz BLLNABVGUNMAFI-UHFFFAOYSA-N 1 0 369.465 3.817 50 0 FHAARO CC(=O)c1ccc(NC(=S)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000003330111 204092312 /nfs/dbraw/zinc/09/23/12/204092312.db2.gz HSQLSPXKFVHSIA-KRWDZBQOSA-N 1 0 357.479 3.606 50 0 FHAARO CCn1c2ccccc2c2cc(NC(=O)C[NH2+]C[C@@H]3CCCO3)ccc21 ZINC000003331000 204092418 /nfs/dbraw/zinc/09/24/18/204092418.db2.gz WEQMXWTVSYUUSB-INIZCTEOSA-N 1 0 351.450 3.522 50 0 FHAARO COc1cccc(C[N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000002631884 204047537 /nfs/dbraw/zinc/04/75/37/204047537.db2.gz MWCKTMHFLWUHMI-HNNXBMFYSA-N 1 0 370.276 3.874 50 0 FHAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000002734716 204052922 /nfs/dbraw/zinc/05/29/22/204052922.db2.gz SXMVAVVUUHFGAG-OAQYLSRUSA-N 1 0 366.505 3.956 50 0 FHAARO O[C@@]1(c2ccc(OC(F)F)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 ZINC000004086822 204120077 /nfs/dbraw/zinc/12/00/77/204120077.db2.gz HLFVJLZHAYSEMR-HXUWFJFHSA-N 1 0 359.396 3.548 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000003459400 204102425 /nfs/dbraw/zinc/10/24/25/204102425.db2.gz UZOVFPGEJIQBFP-QFIPXVFZSA-N 1 0 372.468 3.950 50 0 FHAARO CC(=O)c1ccc(OCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000003459558 204102454 /nfs/dbraw/zinc/10/24/54/204102454.db2.gz RMYDGQZXNMKLHS-UHFFFAOYSA-N 1 0 372.509 3.573 50 0 FHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000003628197 204109053 /nfs/dbraw/zinc/10/90/53/204109053.db2.gz MVISHVPUQTWFAY-UHFFFAOYSA-N 1 0 354.450 3.746 50 0 FHAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc(OC)c1 ZINC000004679236 204153893 /nfs/dbraw/zinc/15/38/93/204153893.db2.gz XTVRUNKOZCDLCG-UHFFFAOYSA-N 1 0 355.413 3.956 50 0 FHAARO COc1ccc(-c2c[nH+]c(NCc3cc(OC)ccc3OC)n2C)cc1 ZINC000004678490 204154330 /nfs/dbraw/zinc/15/43/30/204154330.db2.gz BFYBIDOGTAPFLP-UHFFFAOYSA-N 1 0 353.422 3.725 50 0 FHAARO Cc1cccc(C)c1N1C(=O)C[C@@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)C1=O ZINC000004452368 204139883 /nfs/dbraw/zinc/13/98/83/204139883.db2.gz HNCWJMWXWVNAEF-GYVBGXKYSA-N 1 0 366.505 3.741 50 0 FHAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000004551730 204145907 /nfs/dbraw/zinc/14/59/07/204145907.db2.gz BXXDHQAKVIETER-UHFFFAOYSA-N 1 0 366.505 3.956 50 0 FHAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccncc3)=NN12 ZINC000005296149 204201695 /nfs/dbraw/zinc/20/16/95/204201695.db2.gz QZJUSLSPHLPBGZ-HXUWFJFHSA-N 1 0 362.477 3.827 50 0 FHAARO O[C@H](C[NH2+]C[C@@H]1CC1(Cl)Cl)COc1ccc(-c2ccccc2)cc1 ZINC000006085909 204237600 /nfs/dbraw/zinc/23/76/00/204237600.db2.gz AJPQLHOKRRLUMH-DLBZAZTESA-N 1 0 366.288 3.877 50 0 FHAARO Cn1c(C[NH+]2CCCC2)nc2cc(NC(=O)NC3CCCCC3)ccc21 ZINC000006130203 204238889 /nfs/dbraw/zinc/23/88/89/204238889.db2.gz LOBWINYEUXPUFS-UHFFFAOYSA-N 1 0 355.486 3.623 50 0 FHAARO COc1ccc([C@H](CNC(=O)Nc2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000006650243 204258562 /nfs/dbraw/zinc/25/85/62/204258562.db2.gz CWEAGIGFWXKNQS-FQEVSTJZSA-N 1 0 353.466 3.962 50 0 FHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccccc2OCc2ccccc2)N1 ZINC000007126278 204289738 /nfs/dbraw/zinc/28/97/38/204289738.db2.gz JILMQZAAAWQVKS-FQEVSTJZSA-N 1 0 369.428 3.712 50 0 FHAARO O=C(CSc1ccccc1F)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000007652038 204301497 /nfs/dbraw/zinc/30/14/97/204301497.db2.gz APBWPQTXLNIEIN-GOSISDBHSA-N 1 0 358.482 3.871 50 0 FHAARO Cc1nc2ccccc2n1Cc1ccc(C(=O)NCCc2ccccc2)o1 ZINC000035597047 204323624 /nfs/dbraw/zinc/32/36/24/204323624.db2.gz CDGKHFIVPNLRNQ-UHFFFAOYSA-N 1 0 359.429 3.959 50 0 FHAARO C[C@@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)N1CCCC1 ZINC000008312266 204326141 /nfs/dbraw/zinc/32/61/41/204326141.db2.gz BSVGMODSRUXWCO-YLJYHZDGSA-N 1 0 361.489 3.900 50 0 FHAARO C[C@H]([NH2+]C[C@@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CCCC1 ZINC000008327458 204328022 /nfs/dbraw/zinc/32/80/22/204328022.db2.gz SSDJHXCDVCEQKR-MAUKXSAKSA-N 1 0 367.518 3.962 50 0 FHAARO C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008535063 204334150 /nfs/dbraw/zinc/33/41/50/204334150.db2.gz DPKYPGUAURNUCP-GFCCVEGCSA-N 1 0 368.246 3.638 50 0 FHAARO Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)C3CC[NH+](C)CC3)cc12 ZINC000009050744 204352854 /nfs/dbraw/zinc/35/28/54/204352854.db2.gz YUWRQNRUHIETJL-UHFFFAOYSA-N 1 0 368.506 3.562 50 0 FHAARO O=C(c1cccc(OC2CC[NH+](C3CCCC3)CC2)c1)N1CCCCO1 ZINC000011774701 204414518 /nfs/dbraw/zinc/41/45/18/204414518.db2.gz MRCRDZOUHMZOTH-UHFFFAOYSA-N 1 0 358.482 3.640 50 0 FHAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000009884983 204384959 /nfs/dbraw/zinc/38/49/59/204384959.db2.gz VZYOPRQPUORBGF-LLVKDONJSA-N 1 0 366.339 3.551 50 0 FHAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2)N1Cc1ccc(-n2cccn2)cc1 ZINC000012185798 204440075 /nfs/dbraw/zinc/44/00/75/204440075.db2.gz RFCWLTIHCMSZQC-OAQYLSRUSA-N 1 0 374.488 3.543 50 0 FHAARO CCCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012191952 204440102 /nfs/dbraw/zinc/44/01/02/204440102.db2.gz JWPARAUPONCPGX-UHFFFAOYSA-N 1 0 367.493 3.655 50 0 FHAARO C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000014197803 204574243 /nfs/dbraw/zinc/57/42/43/204574243.db2.gz ZUFKRYYVVWCSNK-QGZVFWFLSA-N 1 0 370.468 3.895 50 0 FHAARO Cc1ccc(C(=O)CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015564691 204613452 /nfs/dbraw/zinc/61/34/52/204613452.db2.gz CWGRCZDDYWZWER-UHFFFAOYSA-N 1 0 364.489 3.739 50 0 FHAARO CCc1ccccc1NC(=O)C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2 ZINC000016956236 204646163 /nfs/dbraw/zinc/64/61/63/204646163.db2.gz RTOVAMJWOGEOBE-UHFFFAOYSA-O 1 0 364.444 3.729 50 0 FHAARO O=C(NCCC[NH+]1CCCCC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000017812218 204655803 /nfs/dbraw/zinc/65/58/03/204655803.db2.gz FJZDXMGEZDRJAN-UHFFFAOYSA-N 1 0 356.491 3.913 50 0 FHAARO CCOc1cc2c(cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1)O[C@@H](C)C2 ZINC000022933810 204792991 /nfs/dbraw/zinc/79/29/91/204792991.db2.gz CUOMTNSDJHCUTN-LPHOPBHVSA-N 1 0 370.493 3.928 50 0 FHAARO COc1cc(C(=O)NCC2CC2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012577403 204860588 /nfs/dbraw/zinc/86/05/88/204860588.db2.gz FQAREUBQXBLGMH-UHFFFAOYSA-N 1 0 372.509 3.621 50 0 FHAARO O=c1c2sccc2nc(SCC[NH+]2CCCC2)n1-c1ccccc1 ZINC000031814863 204921266 /nfs/dbraw/zinc/92/12/66/204921266.db2.gz IZAKJRODKCPFPP-UHFFFAOYSA-N 1 0 357.504 3.635 50 0 FHAARO O=C(NCc1ccc(F)cc1)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000033274472 204963026 /nfs/dbraw/zinc/96/30/26/204963026.db2.gz RCKPHMFYIMKVGP-UHFFFAOYSA-N 1 0 373.497 3.729 50 0 FHAARO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COC(C)(C)C)c1OC ZINC000036097312 205002959 /nfs/dbraw/zinc/00/29/59/205002959.db2.gz PVZRREOTSVTBOX-SFHVURJKSA-N 1 0 367.530 3.728 50 0 FHAARO CCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COc1ccccc1C ZINC000036097244 205003010 /nfs/dbraw/zinc/00/30/10/205003010.db2.gz KOBZLNPRYXYQGO-IBGZPJMESA-N 1 0 373.493 3.664 50 0 FHAARO COc1ccc(C[N@H+](CC(C)C)C[C@@H](O)Cc2ccccc2)cc1OC ZINC000036095631 205003276 /nfs/dbraw/zinc/00/32/76/205003276.db2.gz LBZKOQYDMBBDEF-FQEVSTJZSA-N 1 0 357.494 3.765 50 0 FHAARO COc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccccc2)cc1OC ZINC000036095607 205003963 /nfs/dbraw/zinc/00/39/63/205003963.db2.gz GFCNDHAPIZSETO-LJQANCHMSA-N 1 0 373.493 3.602 50 0 FHAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2Cl)C(C)C)cc1 ZINC000036102014 205004649 /nfs/dbraw/zinc/00/46/49/205004649.db2.gz XYJIKRQIUOSLNN-QGZVFWFLSA-N 1 0 363.885 3.999 50 0 FHAARO Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COC(C)C ZINC000036104602 205005360 /nfs/dbraw/zinc/00/53/60/205005360.db2.gz KZPJPALHQQPRKX-FQEVSTJZSA-N 1 0 371.477 3.512 50 0 FHAARO COCCC[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1C ZINC000036100517 205005856 /nfs/dbraw/zinc/00/58/56/205005856.db2.gz BYCJIFXSYXWMKO-OAQYLSRUSA-N 1 0 357.494 3.582 50 0 FHAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1C ZINC000036104450 205006119 /nfs/dbraw/zinc/00/61/19/205006119.db2.gz DJJHNUOVIOLLEC-OAQYLSRUSA-N 1 0 355.478 3.701 50 0 FHAARO COCCC[N@@H+](Cc1ccccc1C)C[C@H](O)COc1ccccc1C ZINC000036099926 205006132 /nfs/dbraw/zinc/00/61/32/205006132.db2.gz YRNDHUBVHGYSEM-NRFANRHFSA-N 1 0 357.494 3.582 50 0 FHAARO CCC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145902 205007856 /nfs/dbraw/zinc/00/78/56/205007856.db2.gz BXZTWFPRDKOTPY-SFTDATJTSA-N 1 0 370.468 3.982 50 0 FHAARO Cc1c2cc(Cl)ccc2[nH]c1CN1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000036379403 205013332 /nfs/dbraw/zinc/01/33/32/205013332.db2.gz BGLAGLJDATUVLB-QGZVFWFLSA-N 1 0 363.933 3.654 50 0 FHAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)OCCCO2 ZINC000036396725 205016739 /nfs/dbraw/zinc/01/67/39/205016739.db2.gz HFEVILSWEXZRFS-UHFFFAOYSA-N 1 0 368.477 3.618 50 0 FHAARO COc1ccc(OC)c(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000039769780 205047204 /nfs/dbraw/zinc/04/72/04/205047204.db2.gz WWUIJHJNWLBGLM-IRLDBZIGSA-N 1 0 358.526 3.933 50 0 FHAARO COc1ccc(S[C@H](C)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000040153893 205060078 /nfs/dbraw/zinc/06/00/78/205060078.db2.gz JFCVWSWUOJCBTF-DYVFJYSZSA-N 1 0 364.536 3.656 50 0 FHAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]CCCOC(C)C)cc2)cc1 ZINC000040733162 205079247 /nfs/dbraw/zinc/07/92/47/205079247.db2.gz VESVBWYKTLSYCI-UHFFFAOYSA-N 1 0 370.493 3.917 50 0 FHAARO CCOc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1ccc(F)cc1Cl ZINC000040744005 205080414 /nfs/dbraw/zinc/08/04/14/205080414.db2.gz RCNQRQNDTJKTBL-CYBMUJFWSA-N 1 0 367.848 3.927 50 0 FHAARO COc1cc(C[NH2+]CCCCO)ccc1OCc1c(F)cccc1Cl ZINC000040744117 205080488 /nfs/dbraw/zinc/08/04/88/205080488.db2.gz IWXAZKSCPQVZLZ-UHFFFAOYSA-N 1 0 367.848 3.929 50 0 FHAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]CCCN1CCOCC1 ZINC000040719642 205076907 /nfs/dbraw/zinc/07/69/07/205076907.db2.gz WKGJZSIOXPUZAB-UHFFFAOYSA-N 1 0 361.313 3.593 50 0 FHAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]CCCN1CCCC1=O ZINC000040729920 205078084 /nfs/dbraw/zinc/07/80/84/205078084.db2.gz ISWMGBBRWLPWAL-UHFFFAOYSA-N 1 0 359.297 3.883 50 0 FHAARO Cc1ccccc1OC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044852543 205112473 /nfs/dbraw/zinc/11/24/73/205112473.db2.gz XUYDBJMAORVZND-IBGZPJMESA-N 1 0 366.505 3.791 50 0 FHAARO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000044912603 205114244 /nfs/dbraw/zinc/11/42/44/205114244.db2.gz DRVIHNZQBVUIRT-UHFFFAOYSA-N 1 0 366.505 3.922 50 0 FHAARO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000299739394 205116541 /nfs/dbraw/zinc/11/65/41/205116541.db2.gz NWXHUSGWNJOJII-GDBMZVCRSA-N 1 0 357.523 3.935 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCOc2ccccc21 ZINC000045115954 205117308 /nfs/dbraw/zinc/11/73/08/205117308.db2.gz VLSREUWHCRIQLM-FQEVSTJZSA-N 1 0 365.477 3.605 50 0 FHAARO O=C(CCOc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000046571634 205137119 /nfs/dbraw/zinc/13/71/19/205137119.db2.gz RYKNREVUCWPIDV-UHFFFAOYSA-N 1 0 372.896 3.890 50 0 FHAARO Cc1cc(Cl)ccc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047325801 205144759 /nfs/dbraw/zinc/14/47/59/205144759.db2.gz CMMZBQAKXFLTLL-UHFFFAOYSA-N 1 0 358.873 3.830 50 0 FHAARO CCc1nnsc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000048310343 205157707 /nfs/dbraw/zinc/15/77/07/205157707.db2.gz YVYHVDOXTORDBU-GJZGRUSLSA-N 1 0 372.538 3.508 50 0 FHAARO c1csc(CSCC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 ZINC000048355954 205160529 /nfs/dbraw/zinc/16/05/29/205160529.db2.gz XTEUPASSRIBKKL-UHFFFAOYSA-N 1 0 373.503 3.890 50 0 FHAARO Cc1ncsc1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048884316 205167528 /nfs/dbraw/zinc/16/75/28/205167528.db2.gz RJZLKWCQXHSUBV-HUUCEWRRSA-N 1 0 357.523 3.859 50 0 FHAARO CCN(C(=O)[C@H](C)N1CC[NH+](CC2CC2)CC1)c1cccc2ccccc21 ZINC000052164831 205183390 /nfs/dbraw/zinc/18/33/90/205183390.db2.gz QDHDDXIFCQEBGC-SFHVURJKSA-N 1 0 365.521 3.609 50 0 FHAARO Cc1cc2ncn(C[NH+]3CCC(C(=O)N4CCC[C@H](C)C4)CC3)c2cc1C ZINC000054471557 205200953 /nfs/dbraw/zinc/20/09/53/205200953.db2.gz WRWOXGPJBPLPRS-INIZCTEOSA-N 1 0 368.525 3.581 50 0 FHAARO CCN(Cc1ccncc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055099849 205206118 /nfs/dbraw/zinc/20/61/18/205206118.db2.gz KARXDBXIRGQASV-QFIPXVFZSA-N 1 0 367.537 3.867 50 0 FHAARO Cc1ccsc1CNc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000055099238 205207240 /nfs/dbraw/zinc/20/72/40/205207240.db2.gz ZUZSYNZKWNFZPK-INIZCTEOSA-N 1 0 355.507 3.589 50 0 FHAARO NC(=O)CCn1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c2ccccc21 ZINC000055271349 205212554 /nfs/dbraw/zinc/21/25/54/205212554.db2.gz TUADWRRBOVYVHR-FQEVSTJZSA-N 1 0 362.477 3.639 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000053274899 205191785 /nfs/dbraw/zinc/19/17/85/205191785.db2.gz JDMQLXZTLZLQFY-CQSZACIVSA-N 1 0 363.914 3.607 50 0 FHAARO CC1(C)CC(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)CC(C)(C)[NH2+]1 ZINC000056780770 205232617 /nfs/dbraw/zinc/23/26/17/205232617.db2.gz JJXKMGOADLUITM-GOSISDBHSA-N 1 0 361.505 3.851 50 0 FHAARO Cc1csc2nc(C[NH2+][C@H](c3ccc(Cl)cc3)C3CC3)cc(=O)n12 ZINC000057157870 205235655 /nfs/dbraw/zinc/23/56/55/205235655.db2.gz KDQZCRFAWPJXCQ-KRWDZBQOSA-N 1 0 359.882 3.959 50 0 FHAARO C[NH2+]CCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000057263123 205236868 /nfs/dbraw/zinc/23/68/68/205236868.db2.gz PQEVTWUVSSRING-UHFFFAOYSA-N 1 0 366.864 3.766 50 0 FHAARO CC[C@@H](C)N(Cc1ccncc1)C(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC000055392841 205217343 /nfs/dbraw/zinc/21/73/43/205217343.db2.gz OBRKGHSUHQIXBA-GOSISDBHSA-N 1 0 366.509 3.556 50 0 FHAARO Cc1ccccc1[C@]1(O)CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000055393268 205217789 /nfs/dbraw/zinc/21/77/89/205217789.db2.gz OJTRCLBNOBEJBP-NRFANRHFSA-N 1 0 351.425 3.618 50 0 FHAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(COc3ccccc3)o2)C1 ZINC000058159354 205250890 /nfs/dbraw/zinc/25/08/90/205250890.db2.gz PPTDZNCJUSRYAG-KRWDZBQOSA-N 1 0 356.466 3.709 50 0 FHAARO COc1cccc(C[NH2+]CC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000058219038 205263791 /nfs/dbraw/zinc/26/37/91/205263791.db2.gz QNKLWQUBKJYSJY-UHFFFAOYSA-N 1 0 360.457 3.691 50 0 FHAARO O=C(CCOc1cccc(F)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000058406558 205274762 /nfs/dbraw/zinc/27/47/62/205274762.db2.gz HGLXDSLJOCVDOT-UHFFFAOYSA-N 1 0 362.489 3.756 50 0 FHAARO C[C@@H](CCc1ccccc1)CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000058370768 205272742 /nfs/dbraw/zinc/27/27/42/205272742.db2.gz XMJVEWALRFMBQI-IBGZPJMESA-N 1 0 365.521 3.821 50 0 FHAARO C[C@H](CCc1ccccc1)CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000058370771 205273178 /nfs/dbraw/zinc/27/31/78/205273178.db2.gz XMJVEWALRFMBQI-LJQANCHMSA-N 1 0 365.521 3.821 50 0 FHAARO COc1ccccc1N1C[C@@H]2C[C@@H](c3ccsc3)[N@@H+]3CCC[C@@]23C1=O ZINC000014971282 205281588 /nfs/dbraw/zinc/28/15/88/205281588.db2.gz ANPXIJNSNDJAGU-KNBMTAEXSA-N 1 0 354.475 3.699 50 0 FHAARO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000060093283 205283499 /nfs/dbraw/zinc/28/34/99/205283499.db2.gz AHJUFOJFAIXUOH-HNNXBMFYSA-N 1 0 374.916 3.686 50 0 FHAARO COc1cccc([C@H](CNc2cc(C)nc(-c3ccncc3)n2)[NH+](C)C)c1 ZINC000060112824 205284328 /nfs/dbraw/zinc/28/43/28/205284328.db2.gz FFIWYFFABUXGAY-IBGZPJMESA-N 1 0 363.465 3.570 50 0 FHAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@H]2c1ccc(F)c(Br)c1 ZINC000061718191 205286189 /nfs/dbraw/zinc/28/61/89/205286189.db2.gz VECHMBSCRWVRIG-RDJZCZTQSA-N 1 0 361.214 3.513 50 0 FHAARO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@H]1CN(C)c1ccccc1 ZINC000062582401 205291591 /nfs/dbraw/zinc/29/15/91/205291591.db2.gz YUYOIWPXDDWXMQ-IBGZPJMESA-N 1 0 367.493 3.543 50 0 FHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000064725757 205303572 /nfs/dbraw/zinc/30/35/72/205303572.db2.gz PYMXNNIMDSDOCG-GQIGUUNPSA-N 1 0 369.509 3.513 50 0 FHAARO Cc1ccc2cc(CCC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c(=O)[nH]c2c1 ZINC000065245602 205328211 /nfs/dbraw/zinc/32/82/11/205328211.db2.gz VBLOCUZXPOVKRK-KRWDZBQOSA-N 1 0 369.509 3.562 50 0 FHAARO O=C(NCc1cc(F)ccc1F)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818075 205306580 /nfs/dbraw/zinc/30/65/80/205306580.db2.gz SDBSKHFMYNDMIJ-UHFFFAOYSA-N 1 0 360.379 3.552 50 0 FHAARO C[C@@H](CC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000065587484 205359944 /nfs/dbraw/zinc/35/99/44/205359944.db2.gz JGEPTCUNNGJRSO-WMLDXEAASA-N 1 0 354.416 3.896 50 0 FHAARO Fc1ccc(C[N@@H+]2CCC[C@H](c3nncn3Cc3ccccc3)C2)cc1 ZINC000065287797 205334589 /nfs/dbraw/zinc/33/45/89/205334589.db2.gz VHKWGRJPFZYVEO-IBGZPJMESA-N 1 0 350.441 3.845 50 0 FHAARO CC[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2ccccc2OCC[NH+]2CCCCC2)O1 ZINC000065372612 205341486 /nfs/dbraw/zinc/34/14/86/205341486.db2.gz HVPSESXGWDRBMT-DXIQSLLYSA-N 1 0 374.525 3.686 50 0 FHAARO Cc1ccsc1[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2)CC1)N(C)C ZINC000065396791 205345728 /nfs/dbraw/zinc/34/57/28/205345728.db2.gz QCEONGDRPQXBPH-IBGZPJMESA-N 1 0 371.550 3.554 50 0 FHAARO O[C@@H]1C[N@H+](Cc2ccc(-c3cncnc3)cc2)CC[C@H]1c1ccc(F)cc1 ZINC000065405983 205346459 /nfs/dbraw/zinc/34/64/59/205346459.db2.gz VYUOVTJWWCGAAU-FCHUYYIVSA-N 1 0 363.436 3.633 50 0 FHAARO COc1cccc(C[C@@H](C)[NH2+]C2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000065403512 205347354 /nfs/dbraw/zinc/34/73/54/205347354.db2.gz LGXFAEKMBNRDEM-QGZVFWFLSA-N 1 0 367.493 3.912 50 0 FHAARO Cc1ccc(C)c(NC(=O)CC[NH+]2CCC(OCc3cccnc3)CC2)c1 ZINC000065408763 205348506 /nfs/dbraw/zinc/34/85/06/205348506.db2.gz TUFRJJONQMWVQO-UHFFFAOYSA-N 1 0 367.493 3.708 50 0 FHAARO c1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)n(-c2ncccn2)c1 ZINC000067560125 205375444 /nfs/dbraw/zinc/37/54/44/205375444.db2.gz FBVYSMHRGPYQOF-INIZCTEOSA-N 1 0 358.449 3.523 50 0 FHAARO CCCO[C@H]1CCC[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000067643432 205378845 /nfs/dbraw/zinc/37/88/45/205378845.db2.gz VPRGMDMVYLOCEA-IBGZPJMESA-N 1 0 350.466 3.787 50 0 FHAARO CC[NH+](CC)Cc1cnc2c(C(=O)N(C3CC3)C3CCCCC3)cnn2c1 ZINC000067654875 205380359 /nfs/dbraw/zinc/38/03/59/205380359.db2.gz ISCCHNVLQJTMDA-UHFFFAOYSA-N 1 0 369.513 3.508 50 0 FHAARO C[N@H+](CCC[C@H]1CCCO1)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067654466 205380887 /nfs/dbraw/zinc/38/08/87/205380887.db2.gz BOBKKNVFXXWPGW-IBGZPJMESA-N 1 0 350.466 3.787 50 0 FHAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C1CC[NH2+]CC1)C2 ZINC000067675874 205382196 /nfs/dbraw/zinc/38/21/96/205382196.db2.gz LPMVGXHESLGFAX-UHFFFAOYSA-N 1 0 358.869 3.659 50 0 FHAARO CC[N@H+](Cc1ccncc1)Cc1cccc(C(=O)Nc2nccs2)c1 ZINC000067690460 205383243 /nfs/dbraw/zinc/38/32/43/205383243.db2.gz XOVUKROTSNTSNO-UHFFFAOYSA-N 1 0 352.463 3.813 50 0 FHAARO CCOc1ccc2[nH]c(=O)c(C[NH+]3CCC(c4ccncc4)CC3)cc2c1 ZINC000067690357 205383568 /nfs/dbraw/zinc/38/35/68/205383568.db2.gz YZOJSCBSHIXPEX-UHFFFAOYSA-N 1 0 363.461 3.701 50 0 FHAARO [NH3+]C[C@H]1Cc2cccc(-c3ccc(C(=O)Nc4ccccc4F)o3)c2O1 ZINC000067724910 205386945 /nfs/dbraw/zinc/38/69/45/205386945.db2.gz ZJPXOXKHNOGJGO-CYBMUJFWSA-N 1 0 352.365 3.600 50 0 FHAARO COc1ccc(Oc2ccc(-c3nc(C)no3)cn2)cc1C[NH+]1CCCC1 ZINC000067818775 205394391 /nfs/dbraw/zinc/39/43/91/205394391.db2.gz FFGTZJZJTCPJQC-UHFFFAOYSA-N 1 0 366.421 3.837 50 0 FHAARO FC(F)(F)c1ccc(-c2noc3c2C[N@H+](C[C@H]2CCCO2)CC3)cc1 ZINC000067805971 205394966 /nfs/dbraw/zinc/39/49/66/205394966.db2.gz FAXBOLISVFNKCF-CQSZACIVSA-N 1 0 352.356 3.898 50 0 FHAARO CCc1ccccc1NC(=O)CC[N@H+]1CC=C(c2cnn(CC)c2)CC1 ZINC000067867226 205399401 /nfs/dbraw/zinc/39/94/01/205399401.db2.gz NGSSGKRDVNYOAW-UHFFFAOYSA-N 1 0 352.482 3.583 50 0 FHAARO O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072165153 205493621 /nfs/dbraw/zinc/49/36/21/205493621.db2.gz BSCFHBURCDOLTD-GFCCVEGCSA-N 1 0 350.340 3.914 50 0 FHAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000072150281 205482336 /nfs/dbraw/zinc/48/23/36/205482336.db2.gz AZMNIKFXSWTWEG-JOCHJYFZSA-N 1 0 367.493 3.664 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000077359000 205593194 /nfs/dbraw/zinc/59/31/94/205593194.db2.gz HBEXVUDASSVPRW-UHFFFAOYSA-N 1 0 372.440 3.698 50 0 FHAARO OC[C@H]1CN(Cc2c(F)ccc(Cl)c2F)C[C@H]1C[NH+]1CCCCCC1 ZINC000091519233 205677951 /nfs/dbraw/zinc/67/79/51/205677951.db2.gz DANBFRLSRKFBKK-HUUCEWRRSA-N 1 0 372.887 3.535 50 0 FHAARO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3ccco3)nc3c(Cl)cccc23)C1 ZINC000091536461 205678031 /nfs/dbraw/zinc/67/80/31/205678031.db2.gz OZMXOZDKVMYFCN-CYBMUJFWSA-N 1 0 369.852 3.972 50 0 FHAARO COc1cccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1OC ZINC000095380819 205744682 /nfs/dbraw/zinc/74/46/82/205744682.db2.gz LEGVZPAGJKCEQR-PZJWPPBQSA-N 1 0 366.505 3.800 50 0 FHAARO Cc1csc2nc(C[NH2+][C@@H]3c4cccc(F)c4CC[C@@H]3C)cc(=O)n12 ZINC000095462623 205761361 /nfs/dbraw/zinc/76/13/61/205761361.db2.gz SWGYQQLKCZHSOQ-VOJFVSQTSA-N 1 0 357.454 3.617 50 0 FHAARO C[C@H](c1nccs1)N(C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000095501614 205769399 /nfs/dbraw/zinc/76/93/99/205769399.db2.gz PPQGIWJLRDICOB-CQSZACIVSA-N 1 0 374.510 3.841 50 0 FHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(F)ccc2Br)C1 ZINC000047415639 206079578 /nfs/dbraw/zinc/07/95/78/206079578.db2.gz YLTGEQKHQFLOPE-STQMWFEESA-N 1 0 371.294 3.686 50 0 FHAARO CCCNC(=O)c1cccc(C[NH2+]Cc2csc(Br)c2)c1 ZINC000047794093 206081464 /nfs/dbraw/zinc/08/14/64/206081464.db2.gz YAYLZTKELOFAHC-UHFFFAOYSA-N 1 0 367.312 3.940 50 0 FHAARO CCOc1c(C[NH2+]CCCOc2ccccn2)cc(Cl)cc1OC ZINC000113396753 206088655 /nfs/dbraw/zinc/08/86/55/206088655.db2.gz HHLVAMYDZXECNO-UHFFFAOYSA-N 1 0 350.846 3.701 50 0 FHAARO COc1ccc2cc(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)ccc2c1 ZINC000049611683 206088905 /nfs/dbraw/zinc/08/89/05/206088905.db2.gz IWGAOJNLNOAIJT-OAQYLSRUSA-N 1 0 362.473 3.751 50 0 FHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1 ZINC000237264495 206097212 /nfs/dbraw/zinc/09/72/12/206097212.db2.gz XICUZCCQJZAXJV-HNNXBMFYSA-N 1 0 374.916 3.721 50 0 FHAARO C[NH2+]C[C@H]1CCCN(C(=O)/C(=C/c2ccccc2OC)c2ccccc2)C1 ZINC000237322280 206099448 /nfs/dbraw/zinc/09/94/48/206099448.db2.gz KEWLCTJYIHSLDM-ISPGYRLHSA-N 1 0 364.489 3.694 50 0 FHAARO CC(C)c1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000122538439 206113477 /nfs/dbraw/zinc/11/34/77/206113477.db2.gz CRBSTQVOVHEXLW-AEFFLSMTSA-N 1 0 355.482 3.923 50 0 FHAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc(Cl)cc1Br ZINC000002825412 206157320 /nfs/dbraw/zinc/15/73/20/206157320.db2.gz FHEMKPMORHQQQS-LLVKDONJSA-N 1 0 350.684 3.886 50 0 FHAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)Cc3ccccc3)sc2c1 ZINC000005115041 206188668 /nfs/dbraw/zinc/18/86/68/206188668.db2.gz SBCPFBJPSMBAAX-UHFFFAOYSA-N 1 0 353.491 3.742 50 0 FHAARO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004744832 206180579 /nfs/dbraw/zinc/18/05/79/206180579.db2.gz ADAZOGRKLPCOJZ-UHFFFAOYSA-N 1 0 366.571 3.880 50 0 FHAARO O=C(COc1ccc2ccccc2c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008389086 206216617 /nfs/dbraw/zinc/21/66/17/206216617.db2.gz AWDIARUJWCAVJS-NRFANRHFSA-N 1 0 360.457 3.609 50 0 FHAARO COc1ccccc1OCCOCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000008744556 206217694 /nfs/dbraw/zinc/21/76/94/206217694.db2.gz ALULIKCKUALVGQ-IBGZPJMESA-N 1 0 356.466 3.713 50 0 FHAARO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000106138604 206232564 /nfs/dbraw/zinc/23/25/64/206232564.db2.gz AUWGKOZUFQIUDX-JENIJYKNSA-N 1 0 358.526 3.742 50 0 FHAARO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000106138600 206233635 /nfs/dbraw/zinc/23/36/35/206233635.db2.gz AUWGKOZUFQIUDX-YQVWRLOYSA-N 1 0 358.526 3.742 50 0 FHAARO CCCN1CC[C@H]([N@H+](C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)CCC1=O ZINC000104403574 206238272 /nfs/dbraw/zinc/23/82/72/206238272.db2.gz JSQCTWSVNGVMNS-SJLPKXTDSA-N 1 0 354.498 3.861 50 0 FHAARO COC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000170597090 206270852 /nfs/dbraw/zinc/27/08/52/206270852.db2.gz ZLLPIFCUYKOSCT-KGLIPLIRSA-N 1 0 358.404 3.781 50 0 FHAARO CCc1ccc(C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCCCC2)cc1 ZINC000011846217 206286294 /nfs/dbraw/zinc/28/62/94/206286294.db2.gz OZPAMZMBQNQWEL-NRFANRHFSA-N 1 0 353.510 3.935 50 0 FHAARO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000012327062 206291185 /nfs/dbraw/zinc/29/11/85/206291185.db2.gz HNEHWWHRIBAYFK-ROUUACIJSA-N 1 0 365.477 3.673 50 0 FHAARO COc1ccc(CC[NH2+]Cc2ccccc2Br)cc1OC ZINC000019720592 206327021 /nfs/dbraw/zinc/32/70/21/206327021.db2.gz LBFOCOOLVOYOAM-UHFFFAOYSA-N 1 0 350.256 3.799 50 0 FHAARO COc1ccc([C@@]2(C(=O)N(C)CC[N@H+](C)C3CCCC3)CC2(C)C)cc1 ZINC000216358909 206357891 /nfs/dbraw/zinc/35/78/91/206357891.db2.gz VRDJDVLRXFGCAA-JOCHJYFZSA-N 1 0 358.526 3.696 50 0 FHAARO CCOc1ccc2nc(C[NH+]3CCC(O)(c4cccnc4)CC3)ccc2c1 ZINC000215062781 206344416 /nfs/dbraw/zinc/34/44/16/206344416.db2.gz OBNAJJRXKQSSOI-UHFFFAOYSA-N 1 0 363.461 3.512 50 0 FHAARO CCCn1ncc(C(=O)NC2CC[NH+](Cc3ccccc3Cl)CC2)c1C ZINC000216422686 206359083 /nfs/dbraw/zinc/35/90/83/206359083.db2.gz FWPLQPWSBDZMHX-UHFFFAOYSA-N 1 0 374.916 3.649 50 0 FHAARO COc1ccccc1OC1CN(Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000216431247 206360018 /nfs/dbraw/zinc/36/00/18/206360018.db2.gz KYBSVRJQPAOJQU-UHFFFAOYSA-N 1 0 358.507 3.616 50 0 FHAARO O=C(CSCc1cccs1)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189884 206409462 /nfs/dbraw/zinc/40/94/62/206409462.db2.gz XRHQTAHNFZSQEG-UHFFFAOYSA-N 1 0 360.548 3.894 50 0 FHAARO CC[C@@H](C)n1ncc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000252478645 206572141 /nfs/dbraw/zinc/57/21/41/206572141.db2.gz AQZAQLUVUCNPMB-MRXNPFEDSA-N 1 0 354.498 3.557 50 0 FHAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)c1cc(C2CC2)on1 ZINC000242048070 206548326 /nfs/dbraw/zinc/54/83/26/206548326.db2.gz VSMADGCCOUIGJA-DNVCBOLYSA-N 1 0 353.466 3.535 50 0 FHAARO Cc1ccc(N2CCC([NH2+]Cc3ccc(Br)o3)CC2)nc1 ZINC000170089068 132264200 /nfs/dbraw/zinc/26/42/00/132264200.db2.gz CVACHZZAXOQCID-UHFFFAOYSA-N 1 0 350.260 3.504 50 0 FHAARO Cc1nn(-c2ccccc2)cc1CN1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000215175877 132269639 /nfs/dbraw/zinc/26/96/39/132269639.db2.gz ZGCBQAWIYXOCQW-UHFFFAOYSA-N 1 0 361.493 3.515 50 0 FHAARO O=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1cccc(Cl)c1 ZINC000002760731 132384057 /nfs/dbraw/zinc/38/40/57/132384057.db2.gz FUIYVVXHDGGTDY-UHFFFAOYSA-N 1 0 361.848 3.630 50 0 FHAARO CCOc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000070928919 136138480 /nfs/dbraw/zinc/13/84/80/136138480.db2.gz XEHGGHWZONNJHN-UHFFFAOYSA-N 1 0 354.454 3.518 50 0 FHAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1(c2cccs2)CCCC1 ZINC000070928654 136138554 /nfs/dbraw/zinc/13/85/54/136138554.db2.gz SSXOWAZWWRAMJQ-UHFFFAOYSA-N 1 0 369.534 3.988 50 0 FHAARO COc1ccc(OCCC[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000071805505 136141045 /nfs/dbraw/zinc/14/10/45/136141045.db2.gz BVHYZONMPYFEMW-UHFFFAOYSA-N 1 0 354.494 3.903 50 0 FHAARO CCn1ncc(C[N@@H+]2CCCC23CCN(c2cccc(C)n2)CC3)c1C ZINC000072425167 136146514 /nfs/dbraw/zinc/14/65/14/136146514.db2.gz RQNXPABAXORSND-UHFFFAOYSA-N 1 0 353.514 3.550 50 0 FHAARO Oc1ccc(C[N@@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)cc1 ZINC000072440514 136147755 /nfs/dbraw/zinc/14/77/55/136147755.db2.gz QQFHUMQIGVOSRI-UHFFFAOYSA-N 1 0 374.488 3.970 50 0 FHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000019224685 136152291 /nfs/dbraw/zinc/15/22/91/136152291.db2.gz DONPFNDGBQYRBI-HSZRJFAPSA-N 1 0 367.512 3.921 50 0 FHAARO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000023211910 136152418 /nfs/dbraw/zinc/15/24/18/136152418.db2.gz OLYGDYUGTVLLCC-FQEVSTJZSA-N 1 0 374.912 3.519 50 0 FHAARO CN1C[C@@H]([NH2+]C2CCN(c3cccc(-c4ccccc4)c3)CC2)CCC1=O ZINC000023380063 136152855 /nfs/dbraw/zinc/15/28/55/136152855.db2.gz GJVBOSPZLJKCOJ-NRFANRHFSA-N 1 0 363.505 3.533 50 0 FHAARO C[N@H+](Cc1ccoc1)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 ZINC000019787286 263377495 /nfs/dbraw/zinc/37/74/95/263377495.db2.gz RXGLDFVANMVZAL-UHFFFAOYSA-N 1 0 372.428 3.724 50 0 FHAARO CCc1oc2c(cc(NC(=O)N3CCO[C@@H](CC[NH3+])C3)cc2Cl)c1C ZINC000426474194 263598355 /nfs/dbraw/zinc/59/83/55/263598355.db2.gz HFGYIYYQNVVZCB-ZDUSSCGKSA-N 1 0 365.861 3.539 50 0 FHAARO COc1ccc2ccccc2c1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000426494341 263607700 /nfs/dbraw/zinc/60/77/00/263607700.db2.gz PLGNESUZTPAPQB-SFHVURJKSA-N 1 0 367.493 3.618 50 0 FHAARO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCS1 ZINC000252670377 519827133 /nfs/dbraw/zinc/82/71/33/519827133.db2.gz KKEYQULHXLGGRT-JJRVBVJISA-N 1 0 354.947 3.979 50 0 FHAARO CC1(C)CC(NC(=O)Cc2csc(-c3cccs3)n2)CC(C)(C)[NH2+]1 ZINC000008723647 520284659 /nfs/dbraw/zinc/28/46/59/520284659.db2.gz DKNRYEXILITVIB-UHFFFAOYSA-N 1 0 363.552 3.840 50 0 FHAARO CCCCc1nc(CN(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c[nH]1 ZINC000019794601 521291410 /nfs/dbraw/zinc/29/14/10/521291410.db2.gz BHPGGHYAAXHTDP-NRFANRHFSA-N 1 0 366.553 3.816 50 0 FHAARO CCCc1nc(C(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)cs1 ZINC000091656015 521474278 /nfs/dbraw/zinc/47/42/78/521474278.db2.gz YZMZPXHZSPLGJO-UHFFFAOYSA-N 1 0 357.523 3.964 50 0 FHAARO CC[NH+]1CCN(CCOCCOc2cccc(Oc3ccccc3)c2)CC1 ZINC000020406520 521683748 /nfs/dbraw/zinc/68/37/48/521683748.db2.gz RKSUYVQWZXAGNI-UHFFFAOYSA-N 1 0 370.493 3.512 50 0 FHAARO COc1ccc(-c2noc(NCCC[N@H+](C)C3CCCCC3)n2)cc1OC ZINC000020996800 523302453 /nfs/dbraw/zinc/30/24/53/523302453.db2.gz HQAGRYSSCSJLGC-UHFFFAOYSA-N 1 0 374.485 3.820 50 0 FHAARO COc1ccc(/C=C/C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@H](NC(C)=O)C2)cc1 ZINC000077452998 523404188 /nfs/dbraw/zinc/40/41/88/523404188.db2.gz YQWZKSMDJKPIMY-QRSGAWJHSA-N 1 0 364.489 3.621 50 0 FHAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc(C)n3)C2)cc1OC ZINC000020538986 523779864 /nfs/dbraw/zinc/77/98/64/523779864.db2.gz KYFJLLREEHNWQD-KRWDZBQOSA-N 1 0 354.450 3.502 50 0 FHAARO CN1CC[NH+](CCCCOc2ccc(OCc3ccccc3)cc2)CC1 ZINC000020117955 523895821 /nfs/dbraw/zinc/89/58/21/523895821.db2.gz OORAQYDBBXBDAB-UHFFFAOYSA-N 1 0 354.494 3.672 50 0 FHAARO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000078710442 524027216 /nfs/dbraw/zinc/02/72/16/524027216.db2.gz VYWGZSQKNOBEOT-HZPDHXFCSA-N 1 0 360.523 3.911 50 0 FHAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCN2CCOCC2)cc1 ZINC000020875161 524628909 /nfs/dbraw/zinc/62/89/09/524628909.db2.gz QLKCOXLQHRHGKD-UHFFFAOYSA-N 1 0 374.912 3.649 50 0 FHAARO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000241161276 524633069 /nfs/dbraw/zinc/63/30/69/524633069.db2.gz JZPWWFKOFOUMQN-WMZHIEFXSA-N 1 0 360.505 3.542 50 0 FHAARO COc1ccccc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000242273593 524783485 /nfs/dbraw/zinc/78/34/85/524783485.db2.gz YEFSBYVRKYWTQG-TUIFFPIZSA-N 1 0 360.404 3.596 50 0 FHAARO COc1ccc([C@H](C)[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1F ZINC000248248209 525321293 /nfs/dbraw/zinc/32/12/93/525321293.db2.gz KPCJFBUWSHCIGF-XERREHJYSA-N 1 0 373.468 3.940 50 0 FHAARO Cc1c2cc(C)ccc2oc1C[NH+]1CCN(Cc2ccccc2CO)CC1 ZINC000216486210 525951042 /nfs/dbraw/zinc/95/10/42/525951042.db2.gz ZKDRMDOUKOWSHN-UHFFFAOYSA-N 1 0 364.489 3.860 50 0 FHAARO CSc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1 ZINC000091645003 525993505 /nfs/dbraw/zinc/99/35/05/525993505.db2.gz PDNGOECBGGBJCS-VQTJNVASSA-N 1 0 353.535 3.900 50 0 FHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)NCc1ccccc1F ZINC000241465960 526213429 /nfs/dbraw/zinc/21/34/29/526213429.db2.gz NTJYWXZZJOICOT-YLJYHZDGSA-N 1 0 353.441 3.652 50 0 FHAARO c1cc(-c2ccc(C[N@H+]3CCC[C@H](OCc4ccccn4)C3)s2)n[nH]1 ZINC000216384430 526411682 /nfs/dbraw/zinc/41/16/82/526411682.db2.gz UMGVMANPOIHQLS-INIZCTEOSA-N 1 0 354.479 3.714 50 0 FHAARO O=C(CCC[NH+]1CCC2(CCC(=O)N(C3CC3)C2)CC1)c1ccccc1 ZINC000091365268 526432337 /nfs/dbraw/zinc/43/23/37/526432337.db2.gz JDWOFPYTCGFMJD-UHFFFAOYSA-N 1 0 354.494 3.517 50 0 FHAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000244605561 526733059 /nfs/dbraw/zinc/73/30/59/526733059.db2.gz FAUPVSZSEWOXGC-INIZCTEOSA-N 1 0 365.399 3.949 50 0 FHAARO Clc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000020477835 526926269 /nfs/dbraw/zinc/92/62/69/526926269.db2.gz NEDXOEXCBDQKKJ-UHFFFAOYSA-N 1 0 374.912 3.731 50 0 FHAARO O=C(Cc1cccc2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000019902273 527273254 /nfs/dbraw/zinc/27/32/54/527273254.db2.gz RNRZSEHQNDTMSY-UHFFFAOYSA-N 1 0 366.505 3.534 50 0 FHAARO FC(F)(F)CCSc1nnc(CC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000082126881 527666049 /nfs/dbraw/zinc/66/60/49/527666049.db2.gz QGZSZNJSGWTMMH-UHFFFAOYSA-N 1 0 370.444 3.854 50 0 FHAARO CCCOC[C@@H]1CC[N@@H+](C2CCN(c3cc(C)nc(C(C)C)n3)CC2)C1 ZINC000095498669 535234322 /nfs/dbraw/zinc/23/43/22/535234322.db2.gz XPPOSLCRDWNVQA-GOSISDBHSA-N 1 0 360.546 3.626 50 0 FHAARO COc1ccc(C[C@@H](C)[NH+]2CCN(c3ccccc3F)CC2)cc1OC ZINC000023283544 536495813 /nfs/dbraw/zinc/49/58/13/536495813.db2.gz ZWQXKWVXYKMGLJ-MRXNPFEDSA-N 1 0 358.457 3.596 50 0 FHAARO Cc1ncc(CN2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)n1C ZINC000012316064 568138335 /nfs/dbraw/zinc/13/83/35/568138335.db2.gz DZQXFKAHEOTEAO-HSZRJFAPSA-N 1 0 366.553 3.649 50 0 FHAARO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012327160 568181188 /nfs/dbraw/zinc/18/11/88/568181188.db2.gz GVXYZJRGROXQAZ-MSOLQXFVSA-N 1 0 365.477 3.673 50 0 FHAARO CCc1n(CC)c2ccccc2[n+]1C[C@H](O)COc1c(C)cccc1C ZINC000000781046 568215378 /nfs/dbraw/zinc/21/53/78/568215378.db2.gz ZNSXWPHELDQNOT-SFHVURJKSA-N 1 0 353.486 3.568 50 0 FHAARO COc1ccccc1-c1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+](C)C3)c1 ZINC000221376775 568401924 /nfs/dbraw/zinc/40/19/24/568401924.db2.gz SATBWAZSRQTZJS-LPHOPBHVSA-N 1 0 350.462 3.528 50 0 FHAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccc(OCc3cccc(F)c3)c1)C2 ZINC000091876458 570441527 /nfs/dbraw/zinc/44/15/27/570441527.db2.gz GSKHHCXOPLAHKT-FXAWDEMLSA-N 1 0 368.452 3.571 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CCC(F)(F)C(F)F)C3)cc1 ZINC000091871512 570441561 /nfs/dbraw/zinc/44/15/61/570441561.db2.gz IODLPWTVFULAQI-JKSUJKDBSA-N 1 0 374.422 3.882 50 0 FHAARO CCN1CCc2nc[nH]c2C12CC[NH+](CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000091894538 570442112 /nfs/dbraw/zinc/44/21/12/570442112.db2.gz DSRGQRKDVRBTOK-MRXNPFEDSA-N 1 0 356.514 3.674 50 0 FHAARO COc1ccc([C@@H]2CN(Cc3ccc(Cl)s3)C[C@H]2[NH+](C)C)cc1 ZINC000091964649 570443590 /nfs/dbraw/zinc/44/35/90/570443590.db2.gz ITNOCKGZFFORCG-DLBZAZTESA-N 1 0 350.915 3.940 50 0 FHAARO CCn1ccnc1[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3F)c2)C1 ZINC000091988307 570444481 /nfs/dbraw/zinc/44/44/81/570444481.db2.gz FELZKGYLRYBGFA-KRWDZBQOSA-N 1 0 353.445 3.607 50 0 FHAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cc2c(s1)CCCC2 ZINC000092028976 570445661 /nfs/dbraw/zinc/44/56/61/570445661.db2.gz QRCPHFNMAYOWCI-SFHVURJKSA-N 1 0 354.519 3.846 50 0 FHAARO Fc1ccc(/C=C/C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1 ZINC000095353901 570452908 /nfs/dbraw/zinc/45/29/08/570452908.db2.gz YZHDTGKPVUPCPT-ULJGNNCSSA-N 1 0 351.469 3.830 50 0 FHAARO CC(C)(C)n1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000095357283 570453474 /nfs/dbraw/zinc/45/34/74/570453474.db2.gz KLINAFKAWBIRLB-PZJWPPBQSA-N 1 0 365.521 3.980 50 0 FHAARO COc1ccccc1NC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095357468 570453507 /nfs/dbraw/zinc/45/35/07/570453507.db2.gz YWSDXTHDCZNSGJ-RBUKOAKNSA-N 1 0 365.477 3.824 50 0 FHAARO CN(CCn1ccc2ccccc21)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095362303 570454372 /nfs/dbraw/zinc/45/43/72/570454372.db2.gz WHICMOYLODKPNA-IBGZPJMESA-N 1 0 365.477 3.605 50 0 FHAARO Cn1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c2ccccc21 ZINC000095363960 570454755 /nfs/dbraw/zinc/45/47/55/570454755.db2.gz FHGBIPXAJJBSPN-QZTJIDSGSA-N 1 0 351.494 3.515 50 0 FHAARO CC(=O)c1ccccc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095370426 570455904 /nfs/dbraw/zinc/45/59/04/570455904.db2.gz NEBZMWNPGKLLQX-WOJBJXKFSA-N 1 0 362.473 3.626 50 0 FHAARO Cc1ccccc1[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCC1)N(C)C ZINC000095369711 570456255 /nfs/dbraw/zinc/45/62/55/570456255.db2.gz LFQPHCATNADCMQ-FQEVSTJZSA-N 1 0 357.542 3.513 50 0 FHAARO CCc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)ccn1 ZINC000095373022 570456591 /nfs/dbraw/zinc/45/65/91/570456591.db2.gz NYGIBVOZWPKASE-LAUBAEHRSA-N 1 0 367.468 3.520 50 0 FHAARO c1c([C@@H]2CCC[NH2+]C2)nnn1CC1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000095375391 570457179 /nfs/dbraw/zinc/45/71/79/570457179.db2.gz ZJCPJNOMSSCVFX-OFLPRAFFSA-N 1 0 364.497 3.595 50 0 FHAARO c1ccc([C@H]2C[N@@H+](C3CC3)CC3(CCN(Cc4ncccn4)CC3)C2)cc1 ZINC000095374146 570457250 /nfs/dbraw/zinc/45/72/50/570457250.db2.gz KBVIAWQFKJXGJY-HXUWFJFHSA-N 1 0 362.521 3.711 50 0 FHAARO CCOc1ccccc1C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC000095383692 570459633 /nfs/dbraw/zinc/45/96/33/570459633.db2.gz KDRYGZIDHVNZGP-FQEVSTJZSA-N 1 0 364.489 3.724 50 0 FHAARO O=C(c1ccc[nH]1)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095391160 570460853 /nfs/dbraw/zinc/46/08/53/570460853.db2.gz HYGXTJGUUUISIE-IBGZPJMESA-N 1 0 363.505 3.889 50 0 FHAARO Cc1cc([C@@H]2CCCN2C(=O)C[NH+]2CCC(c3ccccc3)CC2)no1 ZINC000095392379 570461117 /nfs/dbraw/zinc/46/11/17/570461117.db2.gz HGAMMIHKOBMOGK-FQEVSTJZSA-N 1 0 353.466 3.526 50 0 FHAARO Cc1ccccc1NC(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095497539 570462369 /nfs/dbraw/zinc/46/23/69/570462369.db2.gz YGRRTUHBFZXIDA-SFHVURJKSA-N 1 0 369.513 3.555 50 0 FHAARO CN(C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1)[C@@H]1CC[N@H+](C)C1 ZINC000095500581 570462701 /nfs/dbraw/zinc/46/27/01/570462701.db2.gz YBUZERBVDHVKQQ-MRXNPFEDSA-N 1 0 350.422 3.663 50 0 FHAARO O=C(Nc1cccc2c1CCCC2)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000095499557 570462832 /nfs/dbraw/zinc/46/28/32/570462832.db2.gz XKFSEIVBQARHMK-UHFFFAOYSA-N 1 0 364.493 3.747 50 0 FHAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccoc2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000095500880 570462844 /nfs/dbraw/zinc/46/28/44/570462844.db2.gz HMZFXIKBCMMVBN-INIZCTEOSA-N 1 0 372.896 3.993 50 0 FHAARO COc1ccc([C@@H]2CN(C(=O)CCC3CCCCC3)C[C@H]2[NH+](C)C)cc1 ZINC000095505817 570464532 /nfs/dbraw/zinc/46/45/32/570464532.db2.gz FRVSYAIBZJAFSY-LEWJYISDSA-N 1 0 358.526 3.912 50 0 FHAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3cc(C)no3)C2)c(C)c1 ZINC000095522801 570467869 /nfs/dbraw/zinc/46/78/69/570467869.db2.gz VAGYRBMOTZNOJE-QGZVFWFLSA-N 1 0 371.481 3.931 50 0 FHAARO O=c1oc(-c2ccc(Cl)cc2)nn1CCCCCC[n+]1ccccc1 ZINC000095918057 570471705 /nfs/dbraw/zinc/47/17/05/570471705.db2.gz HYTARSPDDVCJRP-UHFFFAOYSA-N 1 0 358.849 3.705 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000096132344 570476209 /nfs/dbraw/zinc/47/62/09/570476209.db2.gz PPWSPGDYFCXBNH-MRXNPFEDSA-N 1 0 366.465 3.964 50 0 FHAARO O=C(Nc1ccc(CCc2ccccn2)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000096136002 570476400 /nfs/dbraw/zinc/47/64/00/570476400.db2.gz OSELCXYXXVLVAC-NRFANRHFSA-N 1 0 364.493 3.569 50 0 FHAARO C[NH+](C)CCOc1ccccc1-c1cccc(C(=O)N2CCCCC2)c1 ZINC000096150199 570477072 /nfs/dbraw/zinc/47/70/72/570477072.db2.gz QHPQCRROGHPTRX-UHFFFAOYSA-N 1 0 352.478 3.920 50 0 FHAARO CC[N@@H+]1C[C@H](NC(=O)Nc2cccc(-c3ccccc3C)c2)[C@@H](OC)C1 ZINC000096148090 570477157 /nfs/dbraw/zinc/47/71/57/570477157.db2.gz SJPQESWFIXMLJA-PMACEKPBSA-N 1 0 353.466 3.503 50 0 FHAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)c1ccc(-c2cc[nH]n2)cc1 ZINC000096150278 570477245 /nfs/dbraw/zinc/47/72/45/570477245.db2.gz VOKMBADZLAKABD-UHFFFAOYSA-N 1 0 374.488 3.686 50 0 FHAARO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)o2)cc1F ZINC000097294669 570485912 /nfs/dbraw/zinc/48/59/12/570485912.db2.gz CMBQLZWSVACZFT-CQSZACIVSA-N 1 0 360.429 3.904 50 0 FHAARO COCc1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1 ZINC000097272484 570485966 /nfs/dbraw/zinc/48/59/66/570485966.db2.gz JPDKFFDPETZSGC-NRFANRHFSA-N 1 0 370.468 3.929 50 0 FHAARO c1cc([C@H]2CCCCO2)oc1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000097323893 570486353 /nfs/dbraw/zinc/48/63/53/570486353.db2.gz IKFZKUFLQRFGNX-JOCHJYFZSA-N 1 0 366.505 3.806 50 0 FHAARO COc1cc2nc(-c3cccc([C@@H](C)[NH+](C)C)c3)nc(N)c2cc1OC ZINC000097572119 570491369 /nfs/dbraw/zinc/49/13/69/570491369.db2.gz FOQATOMMTLFGNK-GFCCVEGCSA-N 1 0 352.438 3.519 50 0 FHAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(Cl)cc2c1OCOC2 ZINC000247807577 570492179 /nfs/dbraw/zinc/49/21/79/570492179.db2.gz APWWJBQESGQYHV-VUCTXSBTSA-N 1 0 365.857 3.513 50 0 FHAARO COCCN(Cc1ccccc1C)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000097675216 570492195 /nfs/dbraw/zinc/49/21/95/570492195.db2.gz ZARFCQGHYPVQAW-OAQYLSRUSA-N 1 0 366.505 3.751 50 0 FHAARO CC[N@H+](Cc1cnn(C(C)C)c1)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000097713629 570493163 /nfs/dbraw/zinc/49/31/63/570493163.db2.gz SJYZCVDDMBIXQH-UHFFFAOYSA-N 1 0 353.470 3.885 50 0 FHAARO C[NH+](C)C1(CNC(=O)Nc2ccccc2Cc2ccccc2)CCOCC1 ZINC000097759234 570493606 /nfs/dbraw/zinc/49/36/06/570493606.db2.gz WYDZHJRRQOIBMF-UHFFFAOYSA-N 1 0 367.493 3.510 50 0 FHAARO C[C@H](c1ccc(C(=O)NCCSc2ccccn2)o1)[NH+]1CCCCC1 ZINC000097773054 570494181 /nfs/dbraw/zinc/49/41/81/570494181.db2.gz QPVQBNFEUTWZQL-OAHLLOKOSA-N 1 0 359.495 3.744 50 0 FHAARO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2c(F)cccc2Cl)C2CC2)C1 ZINC000584903336 570511189 /nfs/dbraw/zinc/51/11/89/570511189.db2.gz GDYHGWTZMAMKOG-AWEZNQCLSA-N 1 0 367.896 3.885 50 0 FHAARO COc1ccc2c(c1)oc(C(=O)N1CC[C@H](C[NH3+])C1)c2-c1ccccc1 ZINC000408519239 570565125 /nfs/dbraw/zinc/56/51/25/570565125.db2.gz BPLAJGTVLXWLKB-CQSZACIVSA-N 1 0 350.418 3.529 50 0 FHAARO CC(C)[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000248160219 570599139 /nfs/dbraw/zinc/59/91/39/570599139.db2.gz KQZOXWFPCZBAEO-IERDGZPVSA-N 1 0 360.498 3.536 50 0 FHAARO CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000248205426 570602981 /nfs/dbraw/zinc/60/29/81/570602981.db2.gz ZUXCQUVTICOGMY-UYAOXDASSA-N 1 0 357.542 3.530 50 0 FHAARO CC(=O)c1ccc(F)cc1-c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000426434153 570604765 /nfs/dbraw/zinc/60/47/65/570604765.db2.gz STUOMAFANROINE-UHFFFAOYSA-N 1 0 368.452 3.911 50 0 FHAARO C[C@@H](c1ccc(-c2cc3sc(N)nc3c(F)c2)cc1)[NH+]1CCOCC1 ZINC000426489763 570607785 /nfs/dbraw/zinc/60/77/85/570607785.db2.gz QPFMBHBLSWQOND-LBPRGKRZSA-N 1 0 357.454 3.908 50 0 FHAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc(C)cc(C)c3-n3cccn3)[C@H]2C1 ZINC000426536552 570615178 /nfs/dbraw/zinc/61/51/78/570615178.db2.gz SUHFBFHSOQIANN-RZUBCFFCSA-N 1 0 369.509 3.648 50 0 FHAARO COc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000426589973 570617465 /nfs/dbraw/zinc/61/74/65/570617465.db2.gz MJOGUSDJHBEQCX-OAHLLOKOSA-N 1 0 361.511 3.591 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)c(F)c1 ZINC000011661942 570704157 /nfs/dbraw/zinc/70/41/57/570704157.db2.gz ILHVODCUTCKPEW-AWEZNQCLSA-N 1 0 362.470 3.538 50 0 FHAARO Fc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1F ZINC000011668082 570705152 /nfs/dbraw/zinc/70/51/52/570705152.db2.gz NXXAYIWCUJDFSC-NRFANRHFSA-N 1 0 357.448 3.848 50 0 FHAARO COc1ccc(CCN2C(=O)CC[C@@H]2CC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000011788532 570707192 /nfs/dbraw/zinc/70/71/92/570707192.db2.gz GVQGGQKPIBMTQQ-HXUWFJFHSA-N 1 0 370.468 3.548 50 0 FHAARO Fc1ccc(N[C@H]2CCC[N@@H+](C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000011821062 570708942 /nfs/dbraw/zinc/70/89/42/570708942.db2.gz HPAQVXXTKCFORW-NRFANRHFSA-N 1 0 368.500 3.762 50 0 FHAARO CC(C)CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1 ZINC000011839517 570708955 /nfs/dbraw/zinc/70/89/55/570708955.db2.gz JZODXGDSLPGDDG-SFHVURJKSA-N 1 0 362.489 3.502 50 0 FHAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cccc(C)c2)cc1 ZINC000011871720 570710348 /nfs/dbraw/zinc/71/03/48/570710348.db2.gz GDAJSLUWDMXWQH-FQEVSTJZSA-N 1 0 352.478 3.675 50 0 FHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2ccccc2)on1 ZINC000011905194 570711364 /nfs/dbraw/zinc/71/13/64/570711364.db2.gz YHBPFSLYJPTCCC-HXUWFJFHSA-N 1 0 361.445 3.909 50 0 FHAARO c1cnc(N2CCC[C@@H]([NH2+]Cc3cccc(OC4CCCC4)c3)C2)nc1 ZINC000012072525 570716057 /nfs/dbraw/zinc/71/60/57/570716057.db2.gz KCKNPSXFUBRSKM-GOSISDBHSA-N 1 0 352.482 3.557 50 0 FHAARO COC(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000012073941 570716756 /nfs/dbraw/zinc/71/67/56/570716756.db2.gz NNMBHXMHFLSFAM-GOSISDBHSA-N 1 0 373.497 3.782 50 0 FHAARO CCN1C[C@H](C[N@H+](C)Cc2nc(-c3cccc(Cl)c3)oc2C)CC1=O ZINC000012090535 570718028 /nfs/dbraw/zinc/71/80/28/570718028.db2.gz IWIQJQLWUOXGOG-AWEZNQCLSA-N 1 0 361.873 3.604 50 0 FHAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2)N1Cc1ccc(-n2cccn2)cc1 ZINC000012185794 570724891 /nfs/dbraw/zinc/72/48/91/570724891.db2.gz RFCWLTIHCMSZQC-NRFANRHFSA-N 1 0 374.488 3.543 50 0 FHAARO C[C@@H](C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1)c1ccccc1 ZINC000012212374 570728223 /nfs/dbraw/zinc/72/82/23/570728223.db2.gz XLNCXKWHVCKSNZ-IBGZPJMESA-N 1 0 360.505 3.725 50 0 FHAARO Cc1cccc(-n2cc(C[N@@H+]3CCC[C@@H](O)C3)c(-c3cccc(F)c3)n2)c1 ZINC000012302514 570734306 /nfs/dbraw/zinc/73/43/06/570734306.db2.gz JZJHYWFQRPOTAN-OAQYLSRUSA-N 1 0 365.452 3.944 50 0 FHAARO CC(C)(C)CN1CCC[C@@]2(CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1=O ZINC000012306114 570734826 /nfs/dbraw/zinc/73/48/26/570734826.db2.gz SFMQFHNCSYCRDI-NRFANRHFSA-N 1 0 370.497 3.530 50 0 FHAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000012308098 570735331 /nfs/dbraw/zinc/73/53/31/570735331.db2.gz DYMWHAXFLNITRV-QFIPXVFZSA-N 1 0 368.477 3.696 50 0 FHAARO O=C1N(Cc2cccc(F)c2F)CCC[C@]12CC[N@H+](CC1CCCC1)C2 ZINC000012591945 570752360 /nfs/dbraw/zinc/75/23/60/570752360.db2.gz NWNQSISCFZCVHN-OAQYLSRUSA-N 1 0 362.464 3.970 50 0 FHAARO COc1ccc(-n2cc(C[NH2+]C[C@@H](C)O)c(-c3ccccc3Cl)n2)cc1 ZINC000012590391 570752580 /nfs/dbraw/zinc/75/25/80/570752580.db2.gz KMAZYCQREFGCBH-CQSZACIVSA-N 1 0 371.868 3.672 50 0 FHAARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)c1 ZINC000012704362 570757002 /nfs/dbraw/zinc/75/70/02/570757002.db2.gz UCPLZDISEZELNR-MRXNPFEDSA-N 1 0 358.869 3.743 50 0 FHAARO COCc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)o1 ZINC000012836076 570765311 /nfs/dbraw/zinc/76/53/11/570765311.db2.gz UGVQFPGECPKZQK-HXUWFJFHSA-N 1 0 363.885 3.897 50 0 FHAARO COc1cccc([C@H](CNC(=O)Nc2ccccc2F)[NH+]2CCCC2)c1 ZINC000012977116 570769959 /nfs/dbraw/zinc/76/99/59/570769959.db2.gz IMJYVEIXGJZFEP-IBGZPJMESA-N 1 0 357.429 3.793 50 0 FHAARO CCCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)c1C ZINC000013594964 570780423 /nfs/dbraw/zinc/78/04/23/570780423.db2.gz HSTRVJPGGIBHPU-GOSISDBHSA-N 1 0 355.482 3.705 50 0 FHAARO CCOc1c(Br)cc(C[NH2+]CCCOC(C)C)cc1OC ZINC000013721842 570786812 /nfs/dbraw/zinc/78/68/12/570786812.db2.gz ISQOWPHXPVYVGX-UHFFFAOYSA-N 1 0 360.292 3.761 50 0 FHAARO Oc1ccc(C2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000014180142 570810497 /nfs/dbraw/zinc/81/04/97/570810497.db2.gz ZVJWMEVJRCJXDK-IBGZPJMESA-N 1 0 361.869 3.665 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000014188760 570811429 /nfs/dbraw/zinc/81/14/29/570811429.db2.gz KOSAGPDKYPBGBM-UHFFFAOYSA-N 1 0 364.445 3.565 50 0 FHAARO CC1CCC([N@H+](C)CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000014241988 570815102 /nfs/dbraw/zinc/81/51/02/570815102.db2.gz BGKUQJSGDPVIJJ-KVZIAJEVSA-N 1 0 372.509 3.632 50 0 FHAARO COc1ccc2c(C[N@H+]3CC=C(c4ccc(O)cc4)CC3)cc(=O)oc2c1 ZINC000032851106 570821732 /nfs/dbraw/zinc/82/17/32/570821732.db2.gz VGALKSWPYSTUJI-UHFFFAOYSA-N 1 0 363.413 3.797 50 0 FHAARO Cc1ccc2[nH]c(C(=O)N[C@H]3CCC[N@H+](CCc4ccccc4)C3)cc2c1 ZINC000014951962 570826739 /nfs/dbraw/zinc/82/67/39/570826739.db2.gz GSHTVFWQWVHPSH-FQEVSTJZSA-N 1 0 361.489 3.913 50 0 FHAARO COc1ccc(C[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)cc1F ZINC000015071002 570831619 /nfs/dbraw/zinc/83/16/19/570831619.db2.gz JXGIUARPFFHHOO-SFHVURJKSA-N 1 0 364.424 3.854 50 0 FHAARO COc1ccc(OCC[N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)cc1 ZINC000015524914 570839862 /nfs/dbraw/zinc/83/98/62/570839862.db2.gz WLIGPVPJFFJRQT-UHFFFAOYSA-N 1 0 367.445 3.929 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCCCC2)o1 ZINC000015860183 570846316 /nfs/dbraw/zinc/84/63/16/570846316.db2.gz MXVHZLGCVARROQ-LJQANCHMSA-N 1 0 356.466 3.619 50 0 FHAARO O=C(NCCCc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016606709 570859076 /nfs/dbraw/zinc/85/90/76/570859076.db2.gz RUWHNLVOHDJCES-UHFFFAOYSA-N 1 0 354.469 3.787 50 0 FHAARO O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1ccccc1Cl ZINC000016971485 570864053 /nfs/dbraw/zinc/86/40/53/570864053.db2.gz XPVSVOOWZBWPMY-UHFFFAOYSA-O 1 0 352.845 3.681 50 0 FHAARO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2)C[C@@H]2CCCO2)c(C)c1 ZINC000104973639 570865406 /nfs/dbraw/zinc/86/54/06/570865406.db2.gz GWXJGRLKRGYHHP-GGAORHGYSA-N 1 0 369.505 3.724 50 0 FHAARO COc1ccc(CC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000032930257 570869853 /nfs/dbraw/zinc/86/98/53/570869853.db2.gz HMEFASOKAQHWEP-GOSISDBHSA-N 1 0 366.505 3.929 50 0 FHAARO COc1ccc(CC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000032930077 570870792 /nfs/dbraw/zinc/87/07/92/570870792.db2.gz IARBDSKGEMIIJR-SFHVURJKSA-N 1 0 366.505 3.786 50 0 FHAARO COc1ccc(CC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000032930076 570870805 /nfs/dbraw/zinc/87/08/05/570870805.db2.gz IARBDSKGEMIIJR-GOSISDBHSA-N 1 0 366.505 3.786 50 0 FHAARO COc1cccc(CC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000032930423 570871217 /nfs/dbraw/zinc/87/12/17/570871217.db2.gz DDVGFADYLLPPFV-UHFFFAOYSA-N 1 0 366.505 3.786 50 0 FHAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000012074262 570888857 /nfs/dbraw/zinc/88/88/57/570888857.db2.gz SBMJDHLWBYBBLM-KRWDZBQOSA-N 1 0 354.450 3.776 50 0 FHAARO CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000012062768 570889053 /nfs/dbraw/zinc/88/90/53/570889053.db2.gz AXUCLOBBWBGBDC-OAQYLSRUSA-N 1 0 368.477 3.661 50 0 FHAARO CCOc1cc2c(cc1C[NH+]1CCC(c3ccnn3C)CC1)O[C@H](C)C2 ZINC000195513240 570892697 /nfs/dbraw/zinc/89/26/97/570892697.db2.gz GGBYECFLSIGPRC-OAHLLOKOSA-N 1 0 355.482 3.522 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccs3)c(C(F)(F)F)c2)CC1 ZINC000044796638 570899263 /nfs/dbraw/zinc/89/92/63/570899263.db2.gz ZLCFPIJBZJHFTB-UHFFFAOYSA-N 1 0 369.412 3.771 50 0 FHAARO COc1ccc(-c2noc(CN3CCC[N@@H+](C4CCCCC4)CC3)n2)cc1 ZINC000019731002 570901202 /nfs/dbraw/zinc/90/12/02/570901202.db2.gz RVADHYACZGYZMA-UHFFFAOYSA-N 1 0 370.497 3.586 50 0 FHAARO CCOc1ccccc1CN1CC[N@@H+](C2CCCCCC2)C[C@@H]1CCO ZINC000019836172 570904205 /nfs/dbraw/zinc/90/42/05/570904205.db2.gz RMWKIIBEEZZBPR-NRFANRHFSA-N 1 0 360.542 3.677 50 0 FHAARO COc1cc(C)c(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)cc1C ZINC000020233588 570914055 /nfs/dbraw/zinc/91/40/55/570914055.db2.gz POPDDTIHIHDDHW-NRFANRHFSA-N 1 0 360.542 3.513 50 0 FHAARO c1cnn(-c2cccc(C[NH2+][C@H]3CCCN(C4Cc5ccccc5C4)C3)c2)c1 ZINC000020451571 570916641 /nfs/dbraw/zinc/91/66/41/570916641.db2.gz RIWCCBYRIYBRGC-QFIPXVFZSA-N 1 0 372.516 3.594 50 0 FHAARO C[C@@H]1C[NH+](CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000020507294 570919148 /nfs/dbraw/zinc/91/91/48/570919148.db2.gz BHNRENOVHLLCMZ-GHMZBOCLSA-N 1 0 364.795 3.797 50 0 FHAARO Cc1c2cc(C)ccc2[nH]c1CN1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000020601582 570920516 /nfs/dbraw/zinc/92/05/16/570920516.db2.gz AUUGSVIAKVYGSJ-IBGZPJMESA-N 1 0 355.526 3.596 50 0 FHAARO CC[NH+](CC)CCNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000020662128 570922515 /nfs/dbraw/zinc/92/25/15/570922515.db2.gz DBYGOXQZGUGRCO-UHFFFAOYSA-N 1 0 358.877 3.531 50 0 FHAARO FC(F)(F)Oc1cccc(-c2n[nH]c3c2C[N@@H+](C2CCOCC2)CC3)c1 ZINC000020864871 570926247 /nfs/dbraw/zinc/92/62/47/570926247.db2.gz YOJQEGDBFVHCBK-UHFFFAOYSA-N 1 0 367.371 3.512 50 0 FHAARO COc1cc(Br)cc(C[NH2+]Cc2ccc(F)cc2)c1OC ZINC000020933816 570927360 /nfs/dbraw/zinc/92/73/60/570927360.db2.gz RSHTWMWOQDPRAK-UHFFFAOYSA-N 1 0 354.219 3.895 50 0 FHAARO CO[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1 ZINC000072048887 570930304 /nfs/dbraw/zinc/93/03/04/570930304.db2.gz MHIRWXNEVKPKMP-LJQANCHMSA-N 1 0 356.491 3.562 50 0 FHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1Cc2ccccc2S1 ZINC000021407807 570930501 /nfs/dbraw/zinc/93/05/01/570930501.db2.gz MDZBJVFXIGDZDB-FQEVSTJZSA-N 1 0 352.503 3.616 50 0 FHAARO Cn1ccnc1[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1 ZINC000021600933 570931758 /nfs/dbraw/zinc/93/17/58/570931758.db2.gz QSUMDFGICLKQHG-SWLSCSKDSA-N 1 0 372.683 3.863 50 0 FHAARO Clc1ccc(OCc2ccccc2)c(C[NH2+]CCCN2CCOCC2)c1 ZINC000022074110 570938969 /nfs/dbraw/zinc/93/89/69/570938969.db2.gz ZHAWFJPSQAZOIF-UHFFFAOYSA-N 1 0 374.912 3.731 50 0 FHAARO CC(C)[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000022134709 570940357 /nfs/dbraw/zinc/94/03/57/570940357.db2.gz MEEOXVVIWNGAJZ-UHFFFAOYSA-N 1 0 365.477 3.663 50 0 FHAARO CCc1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3S2)[NH+](C)C)cc1 ZINC000022684699 570948428 /nfs/dbraw/zinc/94/84/28/570948428.db2.gz VKIVSIXNVWEPDR-ICSRJNTNSA-N 1 0 354.519 3.685 50 0 FHAARO CC(C)[N@@H+]1CCN(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1CCO ZINC000022919556 570952438 /nfs/dbraw/zinc/95/24/38/570952438.db2.gz JCLIVIBVRFANSX-QFIPXVFZSA-N 1 0 368.521 3.543 50 0 FHAARO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000022923127 570953205 /nfs/dbraw/zinc/95/32/05/570953205.db2.gz ZITJEYGHRXEHNH-WOJBJXKFSA-N 1 0 363.590 3.658 50 0 FHAARO COc1ccc(C(C)=O)cc1CN1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000022995338 570954829 /nfs/dbraw/zinc/95/48/29/570954829.db2.gz JFGKMFFNDUQMES-UHFFFAOYSA-N 1 0 366.505 3.914 50 0 FHAARO COc1cc2ccccc2cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000023243436 570961066 /nfs/dbraw/zinc/96/10/66/570961066.db2.gz WCNGLYKQWKVZKW-KRWDZBQOSA-N 1 0 354.475 3.943 50 0 FHAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000223962116 570973118 /nfs/dbraw/zinc/97/31/18/570973118.db2.gz WTYXXTOXSKLQCM-QGZVFWFLSA-N 1 0 365.452 3.755 50 0 FHAARO O=C(N[C@H]1CC[N@@H+](C2CCCCCC2)C1)c1csc(-c2ccccn2)n1 ZINC000072230570 570985256 /nfs/dbraw/zinc/98/52/56/570985256.db2.gz BKZABEAXGDSTJE-HNNXBMFYSA-N 1 0 370.522 3.732 50 0 FHAARO Cc1cc(C)cc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027584281 571015161 /nfs/dbraw/zinc/01/51/61/571015161.db2.gz QMYNPWGBXFHDMX-SFHVURJKSA-N 1 0 358.507 3.697 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCC2)cc1 ZINC000027795006 571021776 /nfs/dbraw/zinc/02/17/76/571021776.db2.gz GHCBBXXFUNWQPH-JOCHJYFZSA-N 1 0 366.505 3.944 50 0 FHAARO Cc1ccccc1C[NH+]1CCC(C(=O)NCCCc2ccccc2)CC1 ZINC000028219604 571028028 /nfs/dbraw/zinc/02/80/28/571028028.db2.gz KRODWJXJAYCTBM-UHFFFAOYSA-N 1 0 350.506 3.956 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000028289397 571029517 /nfs/dbraw/zinc/02/95/17/571029517.db2.gz IFZCQJYLGFQZRK-FQEVSTJZSA-N 1 0 354.494 3.782 50 0 FHAARO COc1ccc(CNC(=O)c2cccc(Nc3cc[nH+]cc3)c2)cc1OC ZINC000072283987 571039367 /nfs/dbraw/zinc/03/93/67/571039367.db2.gz MPHAMHRGUVTFED-UHFFFAOYSA-N 1 0 363.417 3.772 50 0 FHAARO C[C@@](O)(COc1ccccc1)c1ccc2c(c1)C[N@H+](C1CCC1)CCO2 ZINC000015067272 571041508 /nfs/dbraw/zinc/04/15/08/571041508.db2.gz SWIOUJHPPCIQAY-JOCHJYFZSA-N 1 0 353.462 3.720 50 0 FHAARO C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccccc2Cn2ccnc2)o1 ZINC000029207124 571045223 /nfs/dbraw/zinc/04/52/23/571045223.db2.gz FLLDICOBGRAXQN-YRKRUQKISA-N 1 0 361.445 3.977 50 0 FHAARO O=C(Nc1cccc(-c2nnco2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000030584440 571048097 /nfs/dbraw/zinc/04/80/97/571048097.db2.gz SBABPJJTBCYKPV-UHFFFAOYSA-N 1 0 362.433 3.975 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000030921340 571052738 /nfs/dbraw/zinc/05/27/38/571052738.db2.gz HNLJQNODBFXMSU-BFYDXBDKSA-N 1 0 355.438 3.528 50 0 FHAARO CC(C)OCc1cccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000072295065 571052827 /nfs/dbraw/zinc/05/28/27/571052827.db2.gz SZUJJDHBGDYPQN-DFQSSKMNSA-N 1 0 357.498 3.560 50 0 FHAARO C[N@H+](Cc1ccccc1-c1ccccc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000083865616 571055301 /nfs/dbraw/zinc/05/53/01/571055301.db2.gz WKYKFWNIOINETO-SFHVURJKSA-N 1 0 362.395 3.949 50 0 FHAARO Cc1cccc(Cl)c1OCC[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000032587389 571058776 /nfs/dbraw/zinc/05/87/76/571058776.db2.gz ZHIGYGOZGSOWTA-UHFFFAOYSA-N 1 0 374.912 3.649 50 0 FHAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(O)ccc23)cc1 ZINC000012736615 571059708 /nfs/dbraw/zinc/05/97/08/571059708.db2.gz XUMNURLVGZHRMV-IBGZPJMESA-N 1 0 351.402 3.844 50 0 FHAARO COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c(Br)c1OC ZINC000225729151 571059952 /nfs/dbraw/zinc/05/99/52/571059952.db2.gz WIEGUIIHYHHGKS-JSGCOSHPSA-N 1 0 372.303 3.592 50 0 FHAARO C[NH+](C)C1(CNC(=O)c2ccc(F)cc2Br)CCCCCC1 ZINC000039984966 571066889 /nfs/dbraw/zinc/06/68/89/571066889.db2.gz FBKSUSKXUHFQSC-UHFFFAOYSA-N 1 0 371.294 3.973 50 0 FHAARO CCC(=O)Nc1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000072309363 571067791 /nfs/dbraw/zinc/06/77/91/571067791.db2.gz QZOXIJRMMAKDQX-SFHVURJKSA-N 1 0 373.884 3.721 50 0 FHAARO Cc1ccccc1-n1nnnc1C1([NH+]2CCCC2)C2CC3CC(C2)CC1C3 ZINC000035170750 571076030 /nfs/dbraw/zinc/07/60/30/571076030.db2.gz VOSIELWVKMVXJI-UHFFFAOYSA-N 1 0 363.509 3.718 50 0 FHAARO C[C@H](SCc1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000040143451 571084882 /nfs/dbraw/zinc/08/48/82/571084882.db2.gz ANSLFBPJQQBUIA-HNAYVOBHSA-N 1 0 360.498 3.867 50 0 FHAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)c1ccc(F)cc1Cl ZINC000244955861 571091259 /nfs/dbraw/zinc/09/12/59/571091259.db2.gz GCPAQMSWAUANLB-UHFFFAOYSA-N 1 0 370.921 3.817 50 0 FHAARO Cc1ncsc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000097096370 571094246 /nfs/dbraw/zinc/09/42/46/571094246.db2.gz HSISGYRWISVJQL-AWEZNQCLSA-N 1 0 357.458 3.755 50 0 FHAARO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000229638797 571095026 /nfs/dbraw/zinc/09/50/26/571095026.db2.gz AUWGKOZUFQIUDX-ZHALLVOQSA-N 1 0 358.526 3.742 50 0 FHAARO O[C@@H](C[NH2+]Cc1ccco1)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000012421970 571097931 /nfs/dbraw/zinc/09/79/31/571097931.db2.gz SHZKHCIVXHVTMO-AWEZNQCLSA-N 1 0 358.869 3.917 50 0 FHAARO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000009154912 571099260 /nfs/dbraw/zinc/09/92/60/571099260.db2.gz DTSRVLDEAYUWKX-XSXQVXRUSA-N 1 0 372.509 3.837 50 0 FHAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000040624709 571100951 /nfs/dbraw/zinc/10/09/51/571100951.db2.gz KHJNCABPFBXPTB-NSHDSACASA-N 1 0 359.695 3.563 50 0 FHAARO CCCNC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012437455 571104606 /nfs/dbraw/zinc/10/46/06/571104606.db2.gz MQMZTNPREKCXDY-KRWDZBQOSA-N 1 0 351.922 3.646 50 0 FHAARO CC[C@H](NC(=O)N1CCN(c2cc[nH+]cc2C)CC1)c1ccc(C)cc1 ZINC000426635769 571105490 /nfs/dbraw/zinc/10/54/90/571105490.db2.gz ZGYSILJPIAHKGC-IBGZPJMESA-N 1 0 352.482 3.681 50 0 FHAARO CSC[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000240551511 571108965 /nfs/dbraw/zinc/10/89/65/571108965.db2.gz GUGYAOFROGZCCM-LBPRGKRZSA-N 1 0 372.328 3.795 50 0 FHAARO CCOC(=O)c1c(C)oc2ncnc(NCCC[NH+]3[C@H](C)CCC[C@H]3C)c21 ZINC000015727270 571110379 /nfs/dbraw/zinc/11/03/79/571110379.db2.gz BZVLZVQHRGFZNZ-ZIAGYGMSSA-N 1 0 374.485 3.773 50 0 FHAARO Cc1ccc(C)c(NC(=O)CC[N@@H+](C)CCc2nc3cc(F)ccc3[nH]2)c1 ZINC000244734849 571115868 /nfs/dbraw/zinc/11/58/68/571115868.db2.gz NMWBPRIAUMBMGM-UHFFFAOYSA-N 1 0 368.456 3.822 50 0 FHAARO Cc1cc(C)n(CCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000244788057 571116499 /nfs/dbraw/zinc/11/64/99/571116499.db2.gz QIKOGHZERDBRPN-NRFANRHFSA-N 1 0 368.525 3.624 50 0 FHAARO Cc1ncsc1CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244795594 571117401 /nfs/dbraw/zinc/11/74/01/571117401.db2.gz RJKODXBNQPGJCW-SFHVURJKSA-N 1 0 357.523 3.555 50 0 FHAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000244795499 571117457 /nfs/dbraw/zinc/11/74/57/571117457.db2.gz RHKUOQIVECYIPW-SFHVURJKSA-N 1 0 369.444 3.825 50 0 FHAARO Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)NCC[NH+]1CCCC1 ZINC000071326661 571121752 /nfs/dbraw/zinc/12/17/52/571121752.db2.gz KIWYLMCGLOEPIW-UHFFFAOYSA-N 1 0 358.511 3.638 50 0 FHAARO CCCN(C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1)C(C)C ZINC000247964268 571126550 /nfs/dbraw/zinc/12/65/50/571126550.db2.gz AUNRYUXFACSKMV-SFHVURJKSA-N 1 0 370.541 3.915 50 0 FHAARO CCCCN(C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1)C(C)C ZINC000247961210 571126618 /nfs/dbraw/zinc/12/66/18/571126618.db2.gz DVZZEAQCQMHYAE-SFHVURJKSA-N 1 0 370.541 3.822 50 0 FHAARO CCCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000248121827 571127914 /nfs/dbraw/zinc/12/79/14/571127914.db2.gz NFPQMROPKGGTQV-KRWDZBQOSA-N 1 0 356.514 3.527 50 0 FHAARO CC(C)n1nccc1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000012849561 571128367 /nfs/dbraw/zinc/12/83/67/571128367.db2.gz NWHJAYOHOCKXPR-UHFFFAOYSA-N 1 0 355.269 3.841 50 0 FHAARO C[NH+]1CCN(c2nc(-c3cccs3)nc3sc4c(c32)CCC4)CC1 ZINC000012853184 571129146 /nfs/dbraw/zinc/12/91/46/571129146.db2.gz XJLPHIXOPVJPAH-UHFFFAOYSA-N 1 0 356.520 3.660 50 0 FHAARO COc1ccc2oc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c(C)c2c1 ZINC000012860836 571129955 /nfs/dbraw/zinc/12/99/55/571129955.db2.gz UCWOOPQBWMKXGH-GOSISDBHSA-N 1 0 352.434 3.783 50 0 FHAARO C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccco3)=NN12 ZINC000000934769 571130802 /nfs/dbraw/zinc/13/08/02/571130802.db2.gz XXUYOFJZLUGSIL-MRXNPFEDSA-N 1 0 357.841 3.898 50 0 FHAARO Cc1cccc(C2(C(=O)N3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)CCCC2)c1 ZINC000333230986 571142945 /nfs/dbraw/zinc/14/29/45/571142945.db2.gz BYLAGLYYSZYDIX-RTWAWAEBSA-N 1 0 370.537 3.552 50 0 FHAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[C@H]([NH+](C)C)C1 ZINC000067886439 571151197 /nfs/dbraw/zinc/15/11/97/571151197.db2.gz GDQUEWRNFUFJPK-HNNXBMFYSA-N 1 0 353.388 3.805 50 0 FHAARO CC[C@H]([NH3+])C(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067881840 571151259 /nfs/dbraw/zinc/15/12/59/571151259.db2.gz GMONHECVXGOICA-IBGZPJMESA-N 1 0 361.445 3.631 50 0 FHAARO Cc1n[nH]c(C)c1CC[N@H+]1CC=C(c2cnn(-c3ccccc3C)c2)CC1 ZINC000067934562 571152226 /nfs/dbraw/zinc/15/22/26/571152226.db2.gz YXZBXPHFXXGAKY-UHFFFAOYSA-N 1 0 361.493 3.852 50 0 FHAARO O[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC000067983246 571152926 /nfs/dbraw/zinc/15/29/26/571152926.db2.gz MWAXTQQAGNMYCE-VQTJNVASSA-N 1 0 351.425 3.566 50 0 FHAARO CC[C@H](c1cccnc1)[N@H+](C)Cc1cccc(C(=O)Nc2cnn(C)c2)c1 ZINC000071278666 571160746 /nfs/dbraw/zinc/16/07/46/571160746.db2.gz WHQPLJXNFMCRQQ-HXUWFJFHSA-N 1 0 363.465 3.651 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2ccc(F)cn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071613823 571163015 /nfs/dbraw/zinc/16/30/15/571163015.db2.gz XWKHWTKVRMJWBM-FQEVSTJZSA-N 1 0 373.447 3.733 50 0 FHAARO CC(C)[C@H]1C[N@H+](CCC(F)(F)F)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071763058 571165830 /nfs/dbraw/zinc/16/58/30/571165830.db2.gz RKWHSLDHLXZRFR-MRXNPFEDSA-N 1 0 360.395 3.837 50 0 FHAARO COc1ccc(-c2nc(CN3CC([N@@H+]4CCCC[C@@H]4C)C3)c(C)o2)c(F)c1 ZINC000071762635 571165835 /nfs/dbraw/zinc/16/58/35/571165835.db2.gz YGSIUTSARSTCHU-AWEZNQCLSA-N 1 0 373.472 3.856 50 0 FHAARO COc1ccc(F)c(-c2nc(C[N@@H+]3CCC[C@H](C(C)(C)O)C3)c(C)o2)c1 ZINC000071763566 571165863 /nfs/dbraw/zinc/16/58/63/571165863.db2.gz KYLPRSKUOCKDFE-AWEZNQCLSA-N 1 0 362.445 3.781 50 0 FHAARO CC(C)CCCC(=O)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000072129039 571170654 /nfs/dbraw/zinc/17/06/54/571170654.db2.gz JXEUFTAZFQEBBL-NRFANRHFSA-N 1 0 357.542 3.968 50 0 FHAARO Cc1ccccc1-n1cc(CN(C)C(=O)c2ccccc2[C@H]2CC[NH2+]C2)cn1 ZINC000072134626 571171456 /nfs/dbraw/zinc/17/14/56/571171456.db2.gz JTPPTVQZVLECOO-IBGZPJMESA-N 1 0 374.488 3.530 50 0 FHAARO CC[C@H]1Cn2c(C(=O)NCC[N@H+](C)C3CCCCC3)cc3cccc(c32)O1 ZINC000035477437 571171536 /nfs/dbraw/zinc/17/15/36/571171536.db2.gz HWLORIRTKRZUNO-SFHVURJKSA-N 1 0 369.509 3.807 50 0 FHAARO Cc1ncnc(N2CCC([C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)c1C ZINC000072140176 571172145 /nfs/dbraw/zinc/17/21/45/571172145.db2.gz VIMICXIYHYLSLE-JOCHJYFZSA-N 1 0 364.537 3.874 50 0 FHAARO C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000072148512 571174045 /nfs/dbraw/zinc/17/40/45/571174045.db2.gz CSMPZKRSKDENEU-IBGZPJMESA-N 1 0 355.457 3.604 50 0 FHAARO CCn1ccc2c1cccc2C[NH+]1CCC(c2cc(=O)[nH]c(C)n2)CC1 ZINC000072161443 571175775 /nfs/dbraw/zinc/17/57/75/571175775.db2.gz YHFQBHZNJAYCTA-UHFFFAOYSA-N 1 0 350.466 3.845 50 0 FHAARO Cc1cc(N2CCCN(Cc3c[nH]c(CC4CCCC4)n3)CC2)cc[nH+]1 ZINC000072164036 571176372 /nfs/dbraw/zinc/17/63/72/571176372.db2.gz ULPCEEXXWLXKIY-UHFFFAOYSA-N 1 0 353.514 3.558 50 0 FHAARO CC(C)c1cncnc1N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000072163617 571176471 /nfs/dbraw/zinc/17/64/71/571176471.db2.gz FTQKLVWQNHNCJS-FQEVSTJZSA-N 1 0 365.525 3.734 50 0 FHAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](OCc2ccccn2)C1 ZINC000072167783 571176991 /nfs/dbraw/zinc/17/69/91/571176991.db2.gz XREMSWSXBNDOQQ-JOCHJYFZSA-N 1 0 362.477 3.757 50 0 FHAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000072172918 571177698 /nfs/dbraw/zinc/17/76/98/571177698.db2.gz AGFDABFFRKWZKW-OAQYLSRUSA-N 1 0 365.521 3.872 50 0 FHAARO OC[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)C1 ZINC000229706020 571178109 /nfs/dbraw/zinc/17/81/09/571178109.db2.gz WYMNJKCOXKTMRK-VFNWGFHPSA-N 1 0 357.425 3.638 50 0 FHAARO OC[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000229658316 571178127 /nfs/dbraw/zinc/17/81/27/571178127.db2.gz NPQVTGVRQDCXKS-YJYMSZOUSA-N 1 0 363.454 3.699 50 0 FHAARO Clc1ccc(/C=C\C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000035539942 571181447 /nfs/dbraw/zinc/18/14/47/571181447.db2.gz DNTXXAVHYXNHFD-PLNGDYQASA-N 1 0 371.897 3.711 50 0 FHAARO Oc1ccc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000022957333 571182632 /nfs/dbraw/zinc/18/26/32/571182632.db2.gz GBUOCYNHMAJPHP-UHFFFAOYSA-N 1 0 352.356 3.613 50 0 FHAARO COc1cc(/C=C/C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)ccc1OC(C)C ZINC000040108082 571185837 /nfs/dbraw/zinc/18/58/37/571185837.db2.gz ANBTXLIBMLDORQ-CKDFRHGISA-N 1 0 374.525 3.734 50 0 FHAARO O=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000013003228 571187697 /nfs/dbraw/zinc/18/76/97/571187697.db2.gz UBYBEHYDZSYWIY-SFHVURJKSA-N 1 0 362.395 3.639 50 0 FHAARO Cc1[nH]c2ccc(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)cc2c1C ZINC000013007718 571187910 /nfs/dbraw/zinc/18/79/10/571187910.db2.gz VAWQHIUJWIOBSU-FQEVSTJZSA-N 1 0 353.441 3.957 50 0 FHAARO CC(C)c1ncc(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000072422143 571193280 /nfs/dbraw/zinc/19/32/80/571193280.db2.gz JWTCNMKQTTZHGW-UHFFFAOYSA-N 1 0 354.542 3.686 50 0 FHAARO Cc1ncc2c(c1CNC(=O)[C@H](c1ccccc1)C1CCCC1)CC[NH2+]C2 ZINC000072426129 571194573 /nfs/dbraw/zinc/19/45/73/571194573.db2.gz DRRFEYGNVHUKIK-JOCHJYFZSA-N 1 0 363.505 3.626 50 0 FHAARO O=C1CC[N@@H+](Cc2cccc3cccnc32)CCN1Cc1ccccc1F ZINC000299765849 571194633 /nfs/dbraw/zinc/19/46/33/571194633.db2.gz YQAFXJAOXPAZIC-UHFFFAOYSA-N 1 0 363.436 3.608 50 0 FHAARO O=C(CCc1ccc(F)c(F)c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299769613 571195409 /nfs/dbraw/zinc/19/54/09/571195409.db2.gz OQAYRZORSYSHDA-SFHVURJKSA-N 1 0 358.432 3.536 50 0 FHAARO Cc1nc2ccc(NC(=O)N3CCCC[C@@H]3C[NH+]3CCCC3)cc2nc1C ZINC000299769969 571195671 /nfs/dbraw/zinc/19/56/71/571195671.db2.gz KNHAGBSIHOWHHO-GOSISDBHSA-N 1 0 367.497 3.729 50 0 FHAARO Cc1ccc(CN(C)Cc2cc3n(n2)CCCN(c2cc[nH+]cc2)C3)s1 ZINC000072432002 571195748 /nfs/dbraw/zinc/19/57/48/571195748.db2.gz AQWCOEORDLCEIL-UHFFFAOYSA-N 1 0 367.522 3.690 50 0 FHAARO O=C(NCCOc1ccc(F)cc1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299772969 571196246 /nfs/dbraw/zinc/19/62/46/571196246.db2.gz DGEAESFDIHOWOF-HBMCJLEFSA-N 1 0 368.452 3.546 50 0 FHAARO Cc1c(CN(C)C(=O)c2ccc(C)cc2OCCC[NH3+])[nH]c2ccccc12 ZINC000299773486 571196277 /nfs/dbraw/zinc/19/62/77/571196277.db2.gz CJAKBUPOYZRBRM-UHFFFAOYSA-N 1 0 365.477 3.785 50 0 FHAARO O=C(NC1(C[NH+]2CCCC2)CCCCC1)c1cccc(-c2ncccn2)c1 ZINC000299775517 571196839 /nfs/dbraw/zinc/19/68/39/571196839.db2.gz KEYBKYIMZDDIIG-UHFFFAOYSA-N 1 0 364.493 3.672 50 0 FHAARO CN(C(=O)c1ccc(CCC(C)(C)O)cc1)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000072447757 571197095 /nfs/dbraw/zinc/19/70/95/571197095.db2.gz NSGHNSKASCOLBM-NRFANRHFSA-N 1 0 368.521 3.765 50 0 FHAARO CC(C)[N@@H+]1CCC[C@H](CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072462562 571197955 /nfs/dbraw/zinc/19/79/55/571197955.db2.gz BNTRQZOBYSSNNO-LJQANCHMSA-N 1 0 360.542 3.583 50 0 FHAARO CC(C)c1nccc(C[NH+]2CCC([C@@H](O)CCc3ccccc3)CC2)n1 ZINC000072469766 571198377 /nfs/dbraw/zinc/19/83/77/571198377.db2.gz JNNAYLSMKTWMOF-NRFANRHFSA-N 1 0 353.510 3.806 50 0 FHAARO C[C@H](C(=O)NCc1cc(-c2cccc(Cl)c2)no1)[NH+]1CCCCCC1 ZINC000299781478 571198381 /nfs/dbraw/zinc/19/83/81/571198381.db2.gz DPOBZZPZQWMRKR-CQSZACIVSA-N 1 0 361.873 3.876 50 0 FHAARO C[C@@H](c1ccc(C(=O)N2CCC(c3ccncn3)CC2)o1)[NH+]1CCCCC1 ZINC000299783977 571198873 /nfs/dbraw/zinc/19/88/73/571198873.db2.gz RQCQNXGOVQYAAP-INIZCTEOSA-N 1 0 368.481 3.636 50 0 FHAARO C[C@@]([NH3+])(C(=O)Nc1cnc2c(c1)CCCC2)c1ccc(Br)cc1 ZINC000571167167 571199367 /nfs/dbraw/zinc/19/93/67/571199367.db2.gz MUVSYMBCERNPNE-SFHVURJKSA-N 1 0 374.282 3.536 50 0 FHAARO CC(=O)c1cccc(NC(=O)NCC[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000299786952 571199408 /nfs/dbraw/zinc/19/94/08/571199408.db2.gz QUPDMBZONFKBBL-UHFFFAOYSA-N 1 0 365.477 3.890 50 0 FHAARO Cn1ccc2cc(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000075550564 571199668 /nfs/dbraw/zinc/19/96/68/571199668.db2.gz PXIPRZLOLYZHRR-UHFFFAOYSA-N 1 0 353.510 3.588 50 0 FHAARO Cc1c[nH]c(CN(C)C(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3C)c2)n1 ZINC000299788441 571200097 /nfs/dbraw/zinc/20/00/97/571200097.db2.gz SNLIPFIQHGZWFP-INIZCTEOSA-N 1 0 355.486 3.756 50 0 FHAARO CCCc1nc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)cs1 ZINC000299790560 571200721 /nfs/dbraw/zinc/20/07/21/571200721.db2.gz BLCCFRZHZQLURU-OTWHNJEPSA-N 1 0 369.534 3.937 50 0 FHAARO CC(C)Oc1c(Cl)cccc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000299793199 571201375 /nfs/dbraw/zinc/20/13/75/571201375.db2.gz HAGLMTLMAQUVMN-UHFFFAOYSA-N 1 0 351.878 3.735 50 0 FHAARO Fc1cccc(-n2cc(C[N@@H+]3CCCC[C@H]3CCn3ccnc3)cn2)c1 ZINC000077299536 571206674 /nfs/dbraw/zinc/20/66/74/571206674.db2.gz YRPYMLSXGIQGPN-IBGZPJMESA-N 1 0 353.445 3.653 50 0 FHAARO CN(CCC[NH+](C)C)C(=O)c1ccc(-c2ccc3c(cc[nH]c3=O)c2)cc1 ZINC000534647901 571208192 /nfs/dbraw/zinc/20/81/92/571208192.db2.gz SSEBGGKGZMJIGY-UHFFFAOYSA-N 1 0 363.461 3.631 50 0 FHAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2ccc3cnc(N)cc3c2)cc1 ZINC000534666871 571208504 /nfs/dbraw/zinc/20/85/04/571208504.db2.gz APVDXEDOIFERGV-NRFANRHFSA-N 1 0 374.488 3.528 50 0 FHAARO COc1ccc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cc1O ZINC000077354427 571208622 /nfs/dbraw/zinc/20/86/22/571208622.db2.gz QVSSFXBYRXGOSF-IBGZPJMESA-N 1 0 368.477 3.830 50 0 FHAARO O=C(c1ccc(Cl)cc1F)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077374886 571208950 /nfs/dbraw/zinc/20/89/50/571208950.db2.gz MPRPZWGZCZZFOU-UHFFFAOYSA-N 1 0 372.871 3.794 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)CCCc2cn[nH]c2)cc1 ZINC000077378061 571209456 /nfs/dbraw/zinc/20/94/56/571209456.db2.gz ODVCVHWTHQGUHR-HXUWFJFHSA-N 1 0 354.498 3.548 50 0 FHAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](Cc1ccoc1)CC2 ZINC000077389561 571209998 /nfs/dbraw/zinc/20/99/98/571209998.db2.gz XUXQQFYRTITABV-UHFFFAOYSA-N 1 0 358.869 3.948 50 0 FHAARO C/C=C\Cn1c(C(=O)NCC[NH+]2CCCCC2)cc2c1cccc2OCC ZINC000035927907 571210045 /nfs/dbraw/zinc/21/00/45/571210045.db2.gz VJDGHGQLDHJVGA-HYXAFXHYSA-N 1 0 369.509 3.832 50 0 FHAARO COc1ncccc1C(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077457284 571212280 /nfs/dbraw/zinc/21/22/80/571212280.db2.gz VJGKDSCVCOBEKO-IBGZPJMESA-N 1 0 353.466 3.519 50 0 FHAARO CCCCN1C[C@]2(CCC[N@H+](Cc3c(C)nn(CC)c3C)C2)CCC1=O ZINC000077456855 571212339 /nfs/dbraw/zinc/21/23/39/571212339.db2.gz CKCQUPPCJKRVCF-OAQYLSRUSA-N 1 0 360.546 3.525 50 0 FHAARO CN(Cc1cccc2cnccc21)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000077541063 571215173 /nfs/dbraw/zinc/21/51/73/571215173.db2.gz RISIKAOCJXLSMB-UHFFFAOYSA-N 1 0 363.461 3.698 50 0 FHAARO COc1cccc(-c2cccc(C[NH+]3CCC(CNC(C)=O)CC3)c2)c1 ZINC000077565608 571215617 /nfs/dbraw/zinc/21/56/17/571215617.db2.gz BWWAIEYYKYVVRV-UHFFFAOYSA-N 1 0 352.478 3.710 50 0 FHAARO CO[C@]12CC[N@H+](Cc3ccncc3Cl)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426370745 571216148 /nfs/dbraw/zinc/21/61/48/571216148.db2.gz OGDSCGUAMJIPSE-XKGZKEIXSA-N 1 0 373.884 3.721 50 0 FHAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000023115075 571216327 /nfs/dbraw/zinc/21/63/27/571216327.db2.gz LISXGLNYRLQXAL-IBGZPJMESA-N 1 0 374.912 3.519 50 0 FHAARO C[C@@H](CC(F)(F)F)[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000097228347 571216361 /nfs/dbraw/zinc/21/63/61/571216361.db2.gz FPXBYKNMENJQSI-MAUKXSAKSA-N 1 0 357.464 3.684 50 0 FHAARO Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(F)ccc1OCC[NH3+])CC(C)(C)O2 ZINC000426377865 571217013 /nfs/dbraw/zinc/21/70/13/571217013.db2.gz CZEOKONFSNXPNM-KRWDZBQOSA-N 1 0 372.440 3.504 50 0 FHAARO COc1ccc(CCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023128052 571217462 /nfs/dbraw/zinc/21/74/62/571217462.db2.gz MDBAUUXAAJKVRH-UHFFFAOYSA-N 1 0 372.534 3.718 50 0 FHAARO C[C@@H](CSc1ccccc1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000097001800 571217679 /nfs/dbraw/zinc/21/76/79/571217679.db2.gz HAOCCCLFVQBSKZ-KRWDZBQOSA-N 1 0 372.534 3.672 50 0 FHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3N(C)C)cc2)C1 ZINC000426403454 571220498 /nfs/dbraw/zinc/22/04/98/571220498.db2.gz DPWOKYLLNKDIBA-FQEVSTJZSA-N 1 0 365.521 3.976 50 0 FHAARO O=C(NCC[C@H](c1ccco1)c1ccccc1)N1CC([NH+]2CCCCC2)C1 ZINC000426424369 571223834 /nfs/dbraw/zinc/22/38/34/571223834.db2.gz PHGGLXOELFZLBX-FQEVSTJZSA-N 1 0 367.493 3.681 50 0 FHAARO CN(Cc1cscn1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426431026 571224681 /nfs/dbraw/zinc/22/46/81/571224681.db2.gz JFRDSHAWYMWMTJ-LJQANCHMSA-N 1 0 372.538 3.902 50 0 FHAARO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(-c2ccsc2)cc1 ZINC000426479604 571227509 /nfs/dbraw/zinc/22/75/09/571227509.db2.gz BIQPIZUHCWWLKO-FQEVSTJZSA-N 1 0 370.518 3.788 50 0 FHAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccncc3)C2)CN1CCc1ccccc1 ZINC000082083587 571227645 /nfs/dbraw/zinc/22/76/45/571227645.db2.gz CZKPZQWUWBQMFM-HSZRJFAPSA-N 1 0 363.505 3.529 50 0 FHAARO O=C1CC[C@]2(CCC[N@H+](Cc3cccnc3)C2)CN1CCc1ccccc1 ZINC000082098143 571228168 /nfs/dbraw/zinc/22/81/68/571228168.db2.gz OHWNBRHEGIXNIS-QHCPKHFHSA-N 1 0 363.505 3.529 50 0 FHAARO CCC(=O)c1cccc(-c2cccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000426496819 571228421 /nfs/dbraw/zinc/22/84/21/571228421.db2.gz GQYJBDAWRVDOLC-NRFANRHFSA-N 1 0 362.473 3.867 50 0 FHAARO Clc1ccc(CN2CC[C@H]3C[N@H+](Cc4cccc5nonc54)C[C@H]32)s1 ZINC000082171978 571229649 /nfs/dbraw/zinc/22/96/49/571229649.db2.gz JJQHCLJONXJWBO-BLLLJJGKSA-N 1 0 374.897 3.644 50 0 FHAARO CC[N@H+](C)C1(CNC(=O)c2cccc(-c3ccc(CO)cc3)c2)CCCC1 ZINC000426545169 571230929 /nfs/dbraw/zinc/23/09/29/571230929.db2.gz RYGXGZIERAWKNS-UHFFFAOYSA-N 1 0 366.505 3.840 50 0 FHAARO Cc1cc(-c2ccc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cc2)cc(C)n1 ZINC000426698158 571235526 /nfs/dbraw/zinc/23/55/26/571235526.db2.gz CKYVDTDTBRRORX-UHFFFAOYSA-N 1 0 372.472 3.723 50 0 FHAARO O=C(N[C@H]1CCC[NH2+]C1)c1cc(-c2ccco2)nc2c(Cl)cccc12 ZINC000091562698 571240585 /nfs/dbraw/zinc/24/05/85/571240585.db2.gz TXOSKHZEMLVVNX-LBPRGKRZSA-N 1 0 355.825 3.630 50 0 FHAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)s1)CC2 ZINC000091650979 571241775 /nfs/dbraw/zinc/24/17/75/571241775.db2.gz HAIOQVIDLBFKJO-UHFFFAOYSA-N 1 0 370.946 3.643 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cc(C)on3)CC2)C1 ZINC000091745505 571243152 /nfs/dbraw/zinc/24/31/52/571243152.db2.gz WXWJYDUOARUNNL-IBGZPJMESA-N 1 0 367.493 3.715 50 0 FHAARO O=C(C[C@@H](c1ccccc1)n1cccc1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731225 571258559 /nfs/dbraw/zinc/25/85/59/571258559.db2.gz OQRRYWQLAGKMIX-BDTNDASRSA-N 1 0 365.521 3.848 50 0 FHAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000007105699 571260874 /nfs/dbraw/zinc/26/08/74/571260874.db2.gz HHHRIANPDAPALO-UHFFFAOYSA-N 1 0 363.383 3.710 50 0 FHAARO COc1ccccc1[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000170062702 571261482 /nfs/dbraw/zinc/26/14/82/571261482.db2.gz YEFSBYVRKYWTQG-CYFODOTGSA-N 1 0 360.404 3.596 50 0 FHAARO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2n[nH]c3c2cccc3Cl)c1 ZINC000170593840 571266260 /nfs/dbraw/zinc/26/62/60/571266260.db2.gz QJSAGYPHURWALV-NEPJUHHUSA-N 1 0 372.856 3.903 50 0 FHAARO CN(C)c1noc(C2CC[NH+](CCCSCc3ccccc3)CC2)n1 ZINC000170601538 571266836 /nfs/dbraw/zinc/26/68/36/571266836.db2.gz BMSPQUDLZXYBIR-UHFFFAOYSA-N 1 0 360.527 3.639 50 0 FHAARO C[N@H+](CCCCc1cccc(C(F)(F)F)c1)CC(C)(C)S(C)(=O)=O ZINC000170601671 571267025 /nfs/dbraw/zinc/26/70/25/571267025.db2.gz BOFQQBGCKQDVCY-UHFFFAOYSA-N 1 0 365.461 3.783 50 0 FHAARO CC[NH+]1CCC(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000014523646 571272092 /nfs/dbraw/zinc/27/20/92/571272092.db2.gz BKWJILMKIWJGMX-UHFFFAOYSA-N 1 0 360.461 3.511 50 0 FHAARO Cc1[nH+]c(CNC(=O)Nc2ccccc2OC(F)(F)F)c2ccccn12 ZINC000089708979 571272603 /nfs/dbraw/zinc/27/26/03/571272603.db2.gz BTDQEBNJKVBKAO-UHFFFAOYSA-N 1 0 364.327 3.863 50 0 FHAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCCCc1ccc(Br)cc1 ZINC000237486279 571277269 /nfs/dbraw/zinc/27/72/69/571277269.db2.gz QHLABEBVDIVDPB-BBRMVZONSA-N 1 0 353.304 3.500 50 0 FHAARO Cc1ccc2oc(C(=O)NC3CC[NH+](Cc4ccccc4F)CC3)cc2n1 ZINC000252570831 571283599 /nfs/dbraw/zinc/28/35/99/571283599.db2.gz XIYOUUNTSACYLO-UHFFFAOYSA-N 1 0 367.424 3.670 50 0 FHAARO C[NH2+]C[C@H](C)CNC(=O)Cc1c(C)c2ccccc2nc1-c1ccccc1 ZINC000170676975 571285069 /nfs/dbraw/zinc/28/50/69/571285069.db2.gz MHLHQKFORNQIBY-INIZCTEOSA-N 1 0 361.489 3.724 50 0 FHAARO C[C@H]([NH2+]C[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@@H](O)[C@@H]21)c1ccccc1 ZINC000252695350 571292591 /nfs/dbraw/zinc/29/25/91/571292591.db2.gz YSIINEYFHDVBCW-DUAVACLRSA-N 1 0 369.505 3.622 50 0 FHAARO O=C(CC1(n2cccc2)CCCCC1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253399163 571312056 /nfs/dbraw/zinc/31/20/56/571312056.db2.gz CQIGFXDJZDAVDJ-VQTJNVASSA-N 1 0 357.542 3.918 50 0 FHAARO COc1ccc(CN(C(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000584886465 571313842 /nfs/dbraw/zinc/31/38/42/571313842.db2.gz YXAFGDZLSARFGE-GOSISDBHSA-N 1 0 371.525 3.634 50 0 FHAARO CCC[N@@H+]1CC[C@H](NC(=O)N(Cc2c(F)cccc2Cl)C2CC2)C1 ZINC000584897173 571315622 /nfs/dbraw/zinc/31/56/22/571315622.db2.gz UWUVDYTVZWKHKE-ZDUSSCGKSA-N 1 0 353.869 3.637 50 0 FHAARO COC(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2F)CC1 ZINC000253431063 571316481 /nfs/dbraw/zinc/31/64/81/571316481.db2.gz ZDAGGNHIVOFHCK-LBPRGKRZSA-N 1 0 358.251 3.753 50 0 FHAARO C[C@@H](NC(=O)Nc1ccc2c(c1)COC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376823528 571322638 /nfs/dbraw/zinc/32/26/38/571322638.db2.gz PLZXBKPWLRYIOO-SJLPKXTDSA-N 1 0 365.477 3.749 50 0 FHAARO CN(Cc1ccccc1C(F)(F)F)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC000079110263 571327055 /nfs/dbraw/zinc/32/70/55/571327055.db2.gz IGDANONOWMSENZ-UHFFFAOYSA-N 1 0 354.416 3.786 50 0 FHAARO CC(C)[N@@H+]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 ZINC000019792438 571327307 /nfs/dbraw/zinc/32/73/07/571327307.db2.gz IBBKVEABWQORAT-UHFFFAOYSA-N 1 0 357.504 3.876 50 0 FHAARO O[C@H](C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000020218762 571328633 /nfs/dbraw/zinc/32/86/33/571328633.db2.gz UZMHUUVQFJTFET-GOSISDBHSA-N 1 0 351.277 3.849 50 0 FHAARO COc1ccc(CC[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1OC ZINC000095419026 571329479 /nfs/dbraw/zinc/32/94/79/571329479.db2.gz KMWPTLUNPJHXAV-AWEZNQCLSA-N 1 0 368.477 3.827 50 0 FHAARO CCOC(=O)Nc1ccc(NC(=O)N(C2CC2)C2CC[NH+](CC)CC2)cc1 ZINC000095446497 571329705 /nfs/dbraw/zinc/32/97/05/571329705.db2.gz ZQOGEIKMUITDKA-UHFFFAOYSA-N 1 0 374.485 3.736 50 0 FHAARO Cn1cccc1[C@@H](O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000095454565 571329914 /nfs/dbraw/zinc/32/99/14/571329914.db2.gz JVBWIINQDGOZEU-ICSRJNTNSA-N 1 0 355.869 3.681 50 0 FHAARO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cc(F)c(F)cc1F ZINC000095463360 571330306 /nfs/dbraw/zinc/33/03/06/571330306.db2.gz SMUOVCWKMJTHJN-GFCCVEGCSA-N 1 0 351.372 3.746 50 0 FHAARO C[N@@H+]1CC[C@](C)(CNC(=O)Nc2cccc(OCc3ccccc3)c2)C1 ZINC000095515174 571331185 /nfs/dbraw/zinc/33/11/85/571331185.db2.gz VPULGEPTAPFOCN-OAQYLSRUSA-N 1 0 353.466 3.729 50 0 FHAARO C[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2)C1 ZINC000020927128 571331995 /nfs/dbraw/zinc/33/19/95/571331995.db2.gz MGQYZUJKRBWJHH-UHFFFAOYSA-N 1 0 366.490 3.848 50 0 FHAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020998818 571332137 /nfs/dbraw/zinc/33/21/37/571332137.db2.gz WATFVIOMNZUQER-OAHLLOKOSA-N 1 0 354.416 3.694 50 0 FHAARO CC(C)[N@H+](C)CC(=O)N(C)c1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000095958622 571332988 /nfs/dbraw/zinc/33/29/88/571332988.db2.gz YEPMBIJJDGNYKG-MRXNPFEDSA-N 1 0 357.523 3.719 50 0 FHAARO C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000096006934 571333784 /nfs/dbraw/zinc/33/37/84/571333784.db2.gz RDSJKCWLSCPGKM-CMPLNLGQSA-N 1 0 353.816 3.777 50 0 FHAARO CC[NH+](CC)CCOCCN(Cc1nnc(C(C)C)o1)Cc1ccccc1 ZINC000096010187 571333937 /nfs/dbraw/zinc/33/39/37/571333937.db2.gz PMHOTAKJSLIZCL-UHFFFAOYSA-N 1 0 374.529 3.554 50 0 FHAARO CC(C)[NH+]1CCC(N(C)C(=O)/C=C\c2ccc(Br)cc2)CC1 ZINC000096129842 571334738 /nfs/dbraw/zinc/33/47/38/571334738.db2.gz ABUIMKMGRUWBCD-TWGQIWQCSA-N 1 0 365.315 3.794 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1 ZINC000021718286 571335897 /nfs/dbraw/zinc/33/58/97/571335897.db2.gz FXRSQCXMYNWKDR-HZPDHXFCSA-N 1 0 373.497 3.637 50 0 FHAARO Cc1ccc(CNC(=O)N2CCC(C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000021718259 571335903 /nfs/dbraw/zinc/33/59/03/571335903.db2.gz UXLCDEYCHJPGKZ-RTBURBONSA-N 1 0 357.542 3.895 50 0 FHAARO CC[NH+](CC)CCNc1nc2c(cnn2C)c(Nc2ccc(Cl)cc2)n1 ZINC000021928495 571336258 /nfs/dbraw/zinc/33/62/58/571336258.db2.gz CSENLIPYUKGDGE-UHFFFAOYSA-N 1 0 373.892 3.514 50 0 FHAARO O=C(NCc1ccc(Cl)cc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687756 571337930 /nfs/dbraw/zinc/33/79/30/571337930.db2.gz UGYLCLYKXXDHNL-HXUWFJFHSA-N 1 0 369.896 3.682 50 0 FHAARO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000028727194 571340629 /nfs/dbraw/zinc/34/06/29/571340629.db2.gz ZAGGAWZTXSFMAY-GFCCVEGCSA-N 1 0 372.412 3.546 50 0 FHAARO FC(F)(F)c1cccc(-c2noc(CN3CCO[C@H]4CCCC[C@H]43)n2)c1 ZINC000230136032 571344275 /nfs/dbraw/zinc/34/42/75/571344275.db2.gz HJGPLAFDKLXFQW-CABCVRRESA-N 1 0 367.371 3.899 50 0 FHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1onc2c1CCCC2 ZINC000670435724 571346863 /nfs/dbraw/zinc/34/68/63/571346863.db2.gz HKYIZDORFDEYTA-HXUWFJFHSA-N 1 0 367.493 3.901 50 0 FHAARO Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000031237707 571351705 /nfs/dbraw/zinc/35/17/05/571351705.db2.gz RCUWXZIOWIPVMK-UHFFFAOYSA-N 1 0 361.445 3.894 50 0 FHAARO CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)C1 ZINC000670453425 571353047 /nfs/dbraw/zinc/35/30/47/571353047.db2.gz BSEJEJCGJIVHSZ-OAQYLSRUSA-N 1 0 363.505 3.811 50 0 FHAARO CC(C)[NH+](CCNC(=O)C1(c2cccc(Br)c2)CC1)C(C)C ZINC000032245219 571356850 /nfs/dbraw/zinc/35/68/50/571356850.db2.gz ZSCKTENYVJCGSI-UHFFFAOYSA-N 1 0 367.331 3.716 50 0 FHAARO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1nc(C(C)(C)C)no1 ZINC000066390339 571358528 /nfs/dbraw/zinc/35/85/28/571358528.db2.gz ANCIWKSEIVPEBZ-CQSZACIVSA-N 1 0 361.461 3.905 50 0 FHAARO Cc1cc(/C=C/C(=O)N2CCN(Cc3ccsc3)CC2)c(C)n1C1CC1 ZINC000023717363 930104092 /nfs/dbraw/zinc/10/40/92/930104092.db2.gz RGRCQUQBOLRNLH-ZZXKWVIFSA-N 1 0 369.534 3.859 50 0 FHAARO CCC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000091536286 933845642 /nfs/dbraw/zinc/84/56/42/933845642.db2.gz MQNQIENELQEGQW-LJQANCHMSA-N 1 0 350.528 3.811 50 0 FHAARO Cc1nc([C@@H]2CCCCN2Cc2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000096153575 939202279 /nfs/dbraw/zinc/20/22/79/939202279.db2.gz UKMUYYMMUTWPFZ-FQEVSTJZSA-N 1 0 353.514 3.580 50 0 FHAARO CC1(C)[C@@H](c2ccccc2)CCN1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333340565 945314612 /nfs/dbraw/zinc/31/46/12/945314612.db2.gz XYXXRSABAJERKF-IEBWSBKVSA-N 1 0 364.493 3.698 50 0 FHAARO O=C(C[C@@H]1CCOC2(CC[NH+](C3CCCC3)CC2)C1)NCc1ccccc1 ZINC000581785477 940597942 /nfs/dbraw/zinc/59/79/42/940597942.db2.gz CKEQRHOSKXBAFA-FQEVSTJZSA-N 1 0 370.537 3.897 50 0 FHAARO CCCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)[C@@H]1CC[NH2+]C1 ZINC000178887897 941835086 /nfs/dbraw/zinc/83/50/86/941835086.db2.gz CJIIJWFDMMDSHA-CQSZACIVSA-N 1 0 361.873 3.528 50 0 FHAARO c1ccc2c(c1)oc1c2cccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000020201299 941877050 /nfs/dbraw/zinc/87/70/50/941877050.db2.gz INUVWAMJOCQIJL-GOSISDBHSA-N 1 0 350.462 3.883 50 0 FHAARO Cn1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)c(-c2cccc(Cl)c2)n1 ZINC000020211729 941878430 /nfs/dbraw/zinc/87/84/30/941878430.db2.gz XJUSDJCMVPRLSF-LJQANCHMSA-N 1 0 355.869 3.906 50 0 FHAARO Cc1cc(C)cc([C@H](O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183177912 942218102 /nfs/dbraw/zinc/21/81/02/942218102.db2.gz MMAMLPJFIWCYIM-QGZVFWFLSA-N 1 0 367.415 3.889 50 0 FHAARO Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000257190903 942656013 /nfs/dbraw/zinc/65/60/13/942656013.db2.gz PDWMDFHHVTVFOM-MRXNPFEDSA-N 1 0 359.495 3.624 50 0 FHAARO CO[C@H]1C(=O)N(c2cccc(F)c2)C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000581802109 942843440 /nfs/dbraw/zinc/84/34/40/942843440.db2.gz GUENLKGKFBKOKV-SFHVURJKSA-N 1 0 374.481 3.592 50 0 FHAARO CC(C)Oc1ccc(C[NH+]2CC(Cc3nc(-c4ccncc4)no3)C2)cc1 ZINC000675017898 943619103 /nfs/dbraw/zinc/61/91/03/943619103.db2.gz IFLPMSYEGCPHMS-UHFFFAOYSA-N 1 0 364.449 3.593 50 0 FHAARO Cc1ccsc1CN1CCOc2ccc(C(=O)N3CCCC3)cc2C1 ZINC000675018120 943619825 /nfs/dbraw/zinc/61/98/25/943619825.db2.gz MLGZRVJCVDCXLU-UHFFFAOYSA-N 1 0 356.491 3.687 50 0 FHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000000755660 948018206 /nfs/dbraw/zinc/01/82/06/948018206.db2.gz ONIVCUKMZNQYTF-GFCCVEGCSA-N 1 0 359.333 3.591 50 0 FHAARO S=c1oc2ccccc2n1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000012543846 220005583 /nfs/dbraw/zinc/00/55/83/220005583.db2.gz ZJYZQQQTIRYRMY-UHFFFAOYSA-N 1 0 365.462 3.844 50 0 FHAARO c1ccc2sc(-c3cc4c(c(O[C@H]5CCOC5)c3)OCC[NH2+]C4)nc2c1 ZINC000299776645 203764218 /nfs/dbraw/zinc/76/42/18/203764218.db2.gz BOKYRSWWFIEFDT-HNNXBMFYSA-N 1 0 368.458 3.613 50 0 FHAARO CC(C)=CCC[C@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O ZINC000000969382 203967933 /nfs/dbraw/zinc/96/79/33/203967933.db2.gz ZRAJZIGAXJIFRY-PMACEKPBSA-N 1 0 352.519 3.961 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCc3ccccc3C2)cc1 ZINC000009875263 204000123 /nfs/dbraw/zinc/00/01/23/204000123.db2.gz XOEKPQSDUDWPCO-UHFFFAOYSA-N 1 0 351.494 3.796 50 0 FHAARO Cc1ccc2c(c1)c1c3n2CCN(C(=O)C[NH+]2CCCCC2)[C@@H]3CCC1 ZINC000001422576 204006328 /nfs/dbraw/zinc/00/63/28/204006328.db2.gz GSHKTTHBEVRVCK-HXUWFJFHSA-N 1 0 351.494 3.655 50 0 FHAARO Cc1ccc(C[C@@H]2CC(=O)N([C@@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 ZINC000001432244 204006672 /nfs/dbraw/zinc/00/66/72/204006672.db2.gz XBSWHCIBLCFYRB-FXAWDEMLSA-N 1 0 373.456 3.860 50 0 FHAARO O=S(=O)(c1ccccc1)N(C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000001741588 204018518 /nfs/dbraw/zinc/01/85/18/204018518.db2.gz HQHZFXASLLKAFG-UHFFFAOYSA-N 1 0 370.518 3.504 50 0 FHAARO O[C@H](COCC12CC3CC(CC(C3)C1)C2)C[N@@H+]1CCc2ccccc2C1 ZINC000010383901 204018696 /nfs/dbraw/zinc/01/86/96/204018696.db2.gz FYYQTGORKBBAOL-ZKTHROLGSA-N 1 0 355.522 3.639 50 0 FHAARO O[C@@H](C[NH2+]CCOc1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000002170535 204026920 /nfs/dbraw/zinc/02/69/20/204026920.db2.gz ZUAFHLPWFBLNOI-SFHVURJKSA-N 1 0 360.457 3.824 50 0 FHAARO CCc1ccc([C@]2(O)C[N+](c3ccccc3OC)=C3CCCCN32)cc1 ZINC000002966226 204071934 /nfs/dbraw/zinc/07/19/34/204071934.db2.gz JQNONFBIMJBOPM-JOCHJYFZSA-N 1 0 351.470 3.518 50 0 FHAARO CCOc1ccccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccco1 ZINC000003050950 204075647 /nfs/dbraw/zinc/07/56/47/204075647.db2.gz MVPXWAQGOXRJTD-HNNXBMFYSA-N 1 0 361.511 4.000 50 0 FHAARO Cc1cccc(C)c1NC(=S)N1CCC([N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000003058192 204076614 /nfs/dbraw/zinc/07/66/14/204076614.db2.gz VCIVOEOIZSGTSW-SFHVURJKSA-N 1 0 361.555 3.575 50 0 FHAARO COc1ccc([N+]2=C3CCCCN3[C@@H](C)[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000003092955 204077955 /nfs/dbraw/zinc/07/79/55/204077955.db2.gz GAIBYRYSJVLECI-BTYIYWSLSA-N 1 0 371.888 3.997 50 0 FHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 ZINC000003208401 204082447 /nfs/dbraw/zinc/08/24/47/204082447.db2.gz LQBFKWWICDAFMT-VAWYXSNFSA-N 1 0 372.490 3.899 50 0 FHAARO O[C@@]1(c2ccc(Cl)cc2)C[N+](CCc2ccccc2)=C2SCCCN21 ZINC000003227386 204083642 /nfs/dbraw/zinc/08/36/42/204083642.db2.gz MLNPUTPUCHBEEC-HXUWFJFHSA-N 1 0 373.929 3.549 50 0 FHAARO COc1cccc(NC(=O)[C@@H](NCC(C)(C)C[NH+](C)C)c2ccccc2)c1 ZINC000003280542 204087644 /nfs/dbraw/zinc/08/76/44/204087644.db2.gz NQHHMBWKJXCDBX-FQEVSTJZSA-N 1 0 369.509 3.552 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000003310035 204090381 /nfs/dbraw/zinc/09/03/81/204090381.db2.gz WHWQLYTWLXBJBU-LJQANCHMSA-N 1 0 365.502 3.772 50 0 FHAARO Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+]Cc1ccccn1)c1ccccc1 ZINC000002645868 204049054 /nfs/dbraw/zinc/04/90/54/204049054.db2.gz HXOHACQGXBNOGX-GGAORHGYSA-N 1 0 362.473 3.647 50 0 FHAARO C[C@@H]1C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(Br)cc2)N1O ZINC000003904817 204114794 /nfs/dbraw/zinc/11/47/94/204114794.db2.gz XEGSXYAQJISKDC-SJKOYZFVSA-N 1 0 361.239 3.715 50 0 FHAARO CCOc1cc(C[NH2+]C2CCCCC2)c(Br)cc1OCCO ZINC000004855886 204170050 /nfs/dbraw/zinc/17/00/50/204170050.db2.gz AGTLBPLADBXBTI-UHFFFAOYSA-N 1 0 372.303 3.641 50 0 FHAARO O=C1C[C@@H]([NH2+]CCC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(F)cc1 ZINC000004810614 204165744 /nfs/dbraw/zinc/16/57/44/204165744.db2.gz ZNTDMXFCVKNONN-FRXJQHJJSA-N 1 0 370.468 3.654 50 0 FHAARO CCCn1c2ccc(F)cc2c2nnc(SCC[NH+](CC)CC)nc21 ZINC000004412390 204138130 /nfs/dbraw/zinc/13/81/30/204138130.db2.gz DHZHZLVPBLAMPF-UHFFFAOYSA-N 1 0 361.490 3.963 50 0 aggregator FHAARO CC(C)Cc1nc2sc3c(ncnc3NCCC[NH3+])c2c2c1CCC2 ZINC000005429030 204208151 /nfs/dbraw/zinc/20/81/51/204208151.db2.gz BINMXOKQUNJZJO-UHFFFAOYSA-N 1 0 355.511 3.687 50 0 FHAARO CC[NH+](CC)CCCNc1nc2sc3c(c2c2ncnn21)C[C@H](C)CC3 ZINC000005576180 204215457 /nfs/dbraw/zinc/21/54/57/204215457.db2.gz LCXLJHAZOYFTED-CYBMUJFWSA-N 1 0 372.542 3.608 50 0 FHAARO CCC[NH2+]C[C@@H]1[C@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccccc1C ZINC000004992295 204183110 /nfs/dbraw/zinc/18/31/10/204183110.db2.gz ABNYDHIRIZXQEN-MOPGFXCFSA-N 1 0 358.869 3.811 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005051183 204187710 /nfs/dbraw/zinc/18/77/10/204187710.db2.gz WCRKHLZTEWKKOV-CQSZACIVSA-N 1 0 356.491 3.912 50 0 FHAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3F)=NN12 ZINC000005093408 204192310 /nfs/dbraw/zinc/19/23/10/204192310.db2.gz ZIRUICNKAAZNRG-IBGZPJMESA-N 1 0 351.425 3.791 50 0 FHAARO O[C@]1(c2ccc(-c3ccccc3)cc2)CN2CCCSC2=[N+]1C(F)F ZINC000005738532 204222936 /nfs/dbraw/zinc/22/29/36/204222936.db2.gz YCWDJDJVAXUGQC-IBGZPJMESA-N 1 0 361.437 3.542 50 0 FHAARO O=C(Nc1ccc(Br)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000006699379 204261317 /nfs/dbraw/zinc/26/13/17/204261317.db2.gz MWRGHIJZUWQKDP-UHFFFAOYSA-N 1 0 366.303 3.931 50 0 FHAARO Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000006818494 204274043 /nfs/dbraw/zinc/27/40/43/204274043.db2.gz FLFSMLFGGNAHMK-UHFFFAOYSA-N 1 0 355.457 3.830 50 0 FHAARO C[NH+](C)CCCNC(=S)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000006865408 204276756 /nfs/dbraw/zinc/27/67/56/204276756.db2.gz DAUUGQCAWCGXJR-FQEVSTJZSA-N 1 0 366.534 3.664 50 0 FHAARO C[NH+](C)C[C@H](NC(=O)/C=C/c1ccccc1Br)c1ccccc1 ZINC000007817894 204307521 /nfs/dbraw/zinc/30/75/21/204307521.db2.gz KHESUSIHAZUBKU-HHNLSAEISA-N 1 0 373.294 3.881 50 0 FHAARO COc1ccc([C@H](CNC(=O)Cc2cccs2)[NH+]2CCCCC2)cc1 ZINC000008131821 204318938 /nfs/dbraw/zinc/31/89/38/204318938.db2.gz XNSCESHYFLWCGQ-IBGZPJMESA-N 1 0 358.507 3.643 50 0 FHAARO C[NH+](C)C1(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)CCCCC1 ZINC000008341072 204327226 /nfs/dbraw/zinc/32/72/26/204327226.db2.gz ANCMTKNVNCRMOB-UHFFFAOYSA-N 1 0 366.509 3.744 50 0 FHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCOc1ccccc1F ZINC000008328502 204327851 /nfs/dbraw/zinc/32/78/51/204327851.db2.gz DNZDUHYKNPQQHD-UHFFFAOYSA-N 1 0 357.404 3.936 50 0 FHAARO CCC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 ZINC000008345178 204328527 /nfs/dbraw/zinc/32/85/27/204328527.db2.gz QRUXYOQVEYNVPQ-IBGZPJMESA-N 1 0 365.477 3.648 50 0 FHAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH2+]C2CCCCC2)C(=O)CCC1 ZINC000007572531 204300598 /nfs/dbraw/zinc/30/05/98/204300598.db2.gz CVPHOXGBNXUIMJ-QGZVFWFLSA-N 1 0 354.494 3.752 50 0 FHAARO CCn1c2ccc(OC)cc2c2nnc(SCC[NH+]3CCCCC3)nc21 ZINC000009061288 204352743 /nfs/dbraw/zinc/35/27/43/204352743.db2.gz DRWDLDCTNGAODU-UHFFFAOYSA-N 1 0 371.510 3.586 50 0 FHAARO Cc1ccc2nc(C[NH2+][C@@H](C)c3cccc(C(F)(F)F)c3)cc(=O)n2c1 ZINC000009690236 204378981 /nfs/dbraw/zinc/37/89/81/204378981.db2.gz CSPQXDHGMDZPOP-ZDUSSCGKSA-N 1 0 361.367 3.873 50 0 FHAARO CCCCNC(=O)c1c(C)n([C@H]2CCC[N@@H+](C(C)C)C2)nc1C(F)(F)F ZINC000036704551 204383091 /nfs/dbraw/zinc/38/30/91/204383091.db2.gz PIJVBUHBMCRFEG-AWEZNQCLSA-N 1 0 374.451 3.786 50 0 FHAARO CCOC(=O)Nc1cccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000009952957 204387007 /nfs/dbraw/zinc/38/70/07/204387007.db2.gz KHLHVJOYICTVRO-UHFFFAOYSA-N 1 0 369.465 3.507 50 0 FHAARO CCOC(=O)c1c2c(sc1NC(=O)CC[NH2+]C(C)(C)C)CCCC2 ZINC000009943111 204387261 /nfs/dbraw/zinc/38/72/61/204387261.db2.gz FUIBENVQPPTGQJ-UHFFFAOYSA-N 1 0 352.500 3.520 50 0 FHAARO COC(C[NH2+]Cc1cn(-c2ccccc2C)nc1-c1ccccc1)OC ZINC000009995295 204389004 /nfs/dbraw/zinc/38/90/04/204389004.db2.gz MNOSFGVZGIPSIY-UHFFFAOYSA-N 1 0 351.450 3.556 50 0 FHAARO COC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010336496 204394154 /nfs/dbraw/zinc/39/41/54/204394154.db2.gz QIMJTJWJTZBBPO-UHFFFAOYSA-N 1 0 352.434 3.711 50 0 FHAARO Cc1c([C@@H](C)[NH2+]Cc2cnc(N(C)C)s2)cnn1-c1cccc(F)c1 ZINC000011879054 204420119 /nfs/dbraw/zinc/42/01/19/204420119.db2.gz YBOFZQFFAHCQSC-GFCCVEGCSA-N 1 0 359.474 3.693 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2ncsc2c1 ZINC000012389051 204458597 /nfs/dbraw/zinc/45/85/97/204458597.db2.gz NWONABCYNMVSLE-UHFFFAOYSA-N 1 0 351.475 3.691 50 0 FHAARO CC(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012431003 204461703 /nfs/dbraw/zinc/46/17/03/204461703.db2.gz UHDLTMFKCFPEFE-UHFFFAOYSA-N 1 0 351.494 3.651 50 0 FHAARO CCCCCC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(C(=O)OCC)cc1 ZINC000014094905 204564174 /nfs/dbraw/zinc/56/41/74/204564174.db2.gz VVXQWQNIIRTXJZ-FUHWJXTLSA-N 1 0 351.487 3.552 50 0 FHAARO CCSc1nnc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000014018644 204561529 /nfs/dbraw/zinc/56/15/29/204561529.db2.gz RVRMJJVWQDCVQB-UHFFFAOYSA-N 1 0 362.524 3.888 50 0 FHAARO CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000015746255 204619270 /nfs/dbraw/zinc/61/92/70/204619270.db2.gz QPSBMXGXDJRQNS-INIZCTEOSA-N 1 0 359.877 3.512 50 0 FHAARO CCOCCC[NH2+][C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000014961826 204593792 /nfs/dbraw/zinc/59/37/92/204593792.db2.gz UZHSMTBQUFTKCP-SFHVURJKSA-N 1 0 356.514 3.622 50 0 FHAARO COc1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000017209336 204652603 /nfs/dbraw/zinc/65/26/03/204652603.db2.gz NNYHMRMMBWRWCY-UHFFFAOYSA-N 1 0 367.856 3.934 50 0 FHAARO Cc1cccc(C)c1OCC(=O)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000021170468 204748953 /nfs/dbraw/zinc/74/89/53/204748953.db2.gz YEXZYILDCGTLDU-HXUWFJFHSA-N 1 0 358.526 3.939 50 0 FHAARO COc1ccc(Cl)cc1NC(=O)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000021175353 204749561 /nfs/dbraw/zinc/74/95/61/204749561.db2.gz AIVNYFDOGJYFBP-ZDUSSCGKSA-N 1 0 351.878 3.735 50 0 FHAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]C(CC)CC)CN1Cc1ccc2ccccc2c1 ZINC000023158952 204798752 /nfs/dbraw/zinc/79/87/52/204798752.db2.gz VRGPBVZQBBGNFS-YADHBBJMSA-N 1 0 367.537 3.697 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000024864020 204826821 /nfs/dbraw/zinc/82/68/21/204826821.db2.gz MTQJEIZBOLANDM-HXUWFJFHSA-N 1 0 355.482 3.578 50 0 FHAARO COc1cccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C(C)C)c1 ZINC000036098355 205002805 /nfs/dbraw/zinc/00/28/05/205002805.db2.gz GFJPVMASRXOODY-GOSISDBHSA-N 1 0 363.885 3.999 50 0 FHAARO COc1cccc(C[N@H+](CC(C)C)C[C@H](O)Cc2ccccc2)c1OC ZINC000036097062 205002930 /nfs/dbraw/zinc/00/29/30/205002930.db2.gz BODACLBRTDVWOC-HXUWFJFHSA-N 1 0 357.494 3.765 50 0 FHAARO COc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COc2ccccc2)cc1 ZINC000036095291 205003052 /nfs/dbraw/zinc/00/30/52/205003052.db2.gz CDUMUPMRWQWDCJ-HXUWFJFHSA-N 1 0 357.494 3.983 50 0 FHAARO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103569 205004566 /nfs/dbraw/zinc/00/45/66/205004566.db2.gz ORTWZIIKZAJNMM-IBGZPJMESA-N 1 0 371.477 3.594 50 0 FHAARO Cc1cccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@H]2CCCO2)c1 ZINC000036100658 205004982 /nfs/dbraw/zinc/00/49/82/205004982.db2.gz OTZUCQPIWAZSJB-FCHUYYIVSA-N 1 0 369.505 3.724 50 0 FHAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1C ZINC000036104451 205005310 /nfs/dbraw/zinc/00/53/10/205005310.db2.gz DJJHNUOVIOLLEC-NRFANRHFSA-N 1 0 355.478 3.701 50 0 FHAARO CC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COCc1ccccc1 ZINC000036102241 205005749 /nfs/dbraw/zinc/00/57/49/205005749.db2.gz KUKMVOKGXBWVIL-NQIIRXRSSA-N 1 0 357.494 3.873 50 0 FHAARO COc1ccccc1C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CC1 ZINC000036102907 205005898 /nfs/dbraw/zinc/00/58/98/205005898.db2.gz KCOZZQRNPGLOMT-GOSISDBHSA-N 1 0 361.869 3.753 50 0 FHAARO CCn1cc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c2ccccc21 ZINC000036379395 205013361 /nfs/dbraw/zinc/01/33/61/205013361.db2.gz MBHCQSMJKWQEDM-LJQANCHMSA-N 1 0 357.542 3.576 50 0 FHAARO COc1cccc(-c2cc(C(F)(F)F)nc(NC3CC[NH+](C)CC3)n2)c1 ZINC000036613678 205016889 /nfs/dbraw/zinc/01/68/89/205016889.db2.gz YDJMFGSNXGKWQO-UHFFFAOYSA-N 1 0 366.387 3.677 50 0 FHAARO COc1cccc([C@@H](CNC(=O)CCc2ccccc2Cl)[NH+](C)C)c1 ZINC000036684805 205019776 /nfs/dbraw/zinc/01/97/76/205019776.db2.gz ZRBWMVKLBHHDDV-LJQANCHMSA-N 1 0 360.885 3.700 50 0 FHAARO COc1cccc(N(C(C)=O)C2CCN(Cc3c(F)cccc3F)CC2)c1 ZINC000037560097 205027696 /nfs/dbraw/zinc/02/76/96/205027696.db2.gz LOOIRPCPDCEYSV-UHFFFAOYSA-N 1 0 374.431 3.991 50 0 FHAARO CCOC(=O)C1CC[NH+](Cc2cncc(-c3cc(F)ccc3F)c2)CC1 ZINC000037554047 205028419 /nfs/dbraw/zinc/02/84/19/205028419.db2.gz VQTOVGUOHMBPTM-UHFFFAOYSA-N 1 0 360.404 3.802 50 0 FHAARO Cc1cc(C[NH+]2CCC3(C[C@H]3c3nnc(-c4cccc(F)c4)o3)CC2)on1 ZINC000071890571 205029774 /nfs/dbraw/zinc/02/97/74/205029774.db2.gz APUUJBLVLOPEBM-KRWDZBQOSA-N 1 0 368.412 3.942 50 0 FHAARO CCCOC(=O)c1ccc([C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000075279572 205036046 /nfs/dbraw/zinc/03/60/46/205036046.db2.gz AJSANCJOEUAIRK-NRFANRHFSA-N 1 0 353.462 3.718 50 0 FHAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000039447340 205045895 /nfs/dbraw/zinc/04/58/95/205045895.db2.gz MFAIEJNNKYQMKS-LJQANCHMSA-N 1 0 360.461 3.927 50 0 FHAARO O=C(COc1ccccc1-c1ccccc1)NCCC[NH+]1CCCCC1 ZINC000039985000 205049389 /nfs/dbraw/zinc/04/93/89/205049389.db2.gz ACPLUDGPRILEPS-UHFFFAOYSA-N 1 0 352.478 3.725 50 0 FHAARO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000040040475 205050869 /nfs/dbraw/zinc/05/08/69/205050869.db2.gz ROUNBKYXPBGXAO-UHFFFAOYSA-N 1 0 363.461 3.571 50 0 FHAARO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCNC(=O)C3CCCC3)cc2)C1 ZINC000040121252 205058262 /nfs/dbraw/zinc/05/82/62/205058262.db2.gz IABXXWBQBXXOJN-KRWDZBQOSA-N 1 0 371.525 3.554 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1OC ZINC000040152977 205060616 /nfs/dbraw/zinc/06/06/16/205060616.db2.gz NOWFNUUOPHKEHU-GOSISDBHSA-N 1 0 368.481 3.609 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000040160255 205061246 /nfs/dbraw/zinc/06/12/46/205061246.db2.gz VBPFFZRYLVQOQE-LBPRGKRZSA-N 1 0 365.836 3.657 50 0 FHAARO CCOc1cc(C[NH2+]C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040742304 205080064 /nfs/dbraw/zinc/08/00/64/205080064.db2.gz JGACRSIVKQMWEH-UHFFFAOYSA-N 1 0 362.857 3.784 50 0 FHAARO OCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000040744880 205080901 /nfs/dbraw/zinc/08/09/01/205080901.db2.gz NKGNLHBQECYCSL-UHFFFAOYSA-N 1 0 350.256 3.500 50 0 FHAARO COc1cc(C[NH2+]CCCCO)cc(Cl)c1OCc1ccccc1F ZINC000040721016 205076990 /nfs/dbraw/zinc/07/69/90/205076990.db2.gz NAUXUZUDEKESRR-UHFFFAOYSA-N 1 0 367.848 3.929 50 0 FHAARO CCOc1cc(CNCCC[NH+](C)C)cc(Br)c1OC(C)C ZINC000040719600 205077417 /nfs/dbraw/zinc/07/74/17/205077417.db2.gz OQFXELLMAAIROV-UHFFFAOYSA-N 1 0 373.335 3.676 50 0 FHAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]Cc2cccnc2)cc1 ZINC000040732768 205078107 /nfs/dbraw/zinc/07/81/07/205078107.db2.gz DKQUAYGJYKEFJF-UHFFFAOYSA-N 1 0 361.445 3.697 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000045233602 205118367 /nfs/dbraw/zinc/11/83/67/205118367.db2.gz IOBQKYOUIHYHFR-KRWDZBQOSA-N 1 0 365.518 3.782 50 0 FHAARO Cc1ccc(Br)cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000045462377 205122711 /nfs/dbraw/zinc/12/27/11/205122711.db2.gz HCKHIOOHMVXVAF-UHFFFAOYSA-N 1 0 368.319 3.999 50 0 FHAARO CC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)cc1 ZINC000046804759 205138463 /nfs/dbraw/zinc/13/84/63/205138463.db2.gz FEJODCXNUXYXDX-CHWSQXEVSA-N 1 0 359.857 3.976 50 0 FHAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cncc(-n2cccn2)n1 ZINC000048279144 205154360 /nfs/dbraw/zinc/15/43/60/205154360.db2.gz QKBVTQMPYTWGIH-KRWDZBQOSA-N 1 0 362.481 3.649 50 0 FHAARO CCN(C(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000048290182 205156818 /nfs/dbraw/zinc/15/68/18/205156818.db2.gz OIBWKIKSAVZINA-FQEVSTJZSA-N 1 0 370.468 3.894 50 0 FHAARO Cc1noc(C)c1CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048332100 205158475 /nfs/dbraw/zinc/15/84/75/205158475.db2.gz WHLAJYPFXDKOHZ-HOTGVXAUSA-N 1 0 369.509 3.628 50 0 FHAARO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(-n2cccn2)nc1 ZINC000048710729 205166259 /nfs/dbraw/zinc/16/62/59/205166259.db2.gz ZJVFBZJILXKKAJ-UHFFFAOYSA-N 1 0 372.476 3.866 50 0 FHAARO CC[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccccc1OC(F)F ZINC000052526919 205185733 /nfs/dbraw/zinc/18/57/33/205185733.db2.gz WAAUDJCZRCGXOQ-UKRRQHHQSA-N 1 0 355.429 3.523 50 0 FHAARO COc1cccc([C@@H](CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[NH+](C)C)c1 ZINC000054920955 205202882 /nfs/dbraw/zinc/20/28/82/205202882.db2.gz DTFYVCJYJONCRC-MGPUTAFESA-N 1 0 373.472 3.840 50 0 FHAARO C[C@H](CO)C[N@H+](Cc1ccccc1)Cc1ccc(Oc2ncccn2)cc1 ZINC000055344383 205217053 /nfs/dbraw/zinc/21/70/53/205217053.db2.gz HJCYPQBWHUVYPA-SFHVURJKSA-N 1 0 363.461 3.900 50 0 FHAARO COc1ccc(C(=O)[C@H]2CCC[N@@H+](C3CSCCSC3)C2)c(C)c1 ZINC000055182435 205210079 /nfs/dbraw/zinc/21/00/79/205210079.db2.gz DCAKBHFKBVUUKW-HNNXBMFYSA-N 1 0 365.564 3.747 50 0 FHAARO C[NH+](C)CCN(Cc1ccsc1)Cc1ccc(-c2cncnc2)cc1 ZINC000055224748 205211869 /nfs/dbraw/zinc/21/18/69/205211869.db2.gz MEIZSCXMLWHKEM-UHFFFAOYSA-N 1 0 352.507 3.769 50 0 FHAARO Cc1cccnc1Nc1ncc(C[NH2+]C[C@H]2COc3ccccc3O2)s1 ZINC000055309007 205214803 /nfs/dbraw/zinc/21/48/03/205214803.db2.gz RRNUDLAJLUROCA-AWEZNQCLSA-N 1 0 368.462 3.520 50 0 FHAARO C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)c1 ZINC000055308281 205215093 /nfs/dbraw/zinc/21/50/93/205215093.db2.gz KXFLNYOSYWVWEC-CQSZACIVSA-N 1 0 363.870 3.595 50 0 FHAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(F)cc1Br ZINC000053271517 205191167 /nfs/dbraw/zinc/19/11/67/205191167.db2.gz PRHODHAVGNZAIN-UHFFFAOYSA-N 1 0 357.267 3.584 50 0 FHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(-c2cnco2)cc1 ZINC000054055737 205197312 /nfs/dbraw/zinc/19/73/12/205197312.db2.gz SONXCCNDOCSXMN-KRWDZBQOSA-N 1 0 351.406 3.502 50 0 FHAARO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153315 205228507 /nfs/dbraw/zinc/22/85/07/205228507.db2.gz MJZSZDOPEMSOLN-SJORKVTESA-N 1 0 365.477 3.600 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056804815 205232485 /nfs/dbraw/zinc/23/24/85/205232485.db2.gz UQJKYJKUHCATAX-RHSMWYFYSA-N 1 0 365.905 3.727 50 0 FHAARO Cc1nc(C)c([C@@H](C)NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000057285354 205236655 /nfs/dbraw/zinc/23/66/55/205236655.db2.gz QOSMONCHVBIBKX-OAHLLOKOSA-N 1 0 372.538 3.916 50 0 FHAARO C[C@H](C1CC1)[N@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000058191912 205257311 /nfs/dbraw/zinc/25/73/11/205257311.db2.gz UFNPLQOOUIAGRW-CYBMUJFWSA-N 1 0 357.479 3.669 50 0 FHAARO CC(C)OCCC[NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000058219030 205264410 /nfs/dbraw/zinc/26/44/10/205264410.db2.gz DETSPDDTDUKUIV-UHFFFAOYSA-N 1 0 357.479 3.556 50 0 FHAARO COc1ccccc1-c1nc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cs1 ZINC000058264469 205266684 /nfs/dbraw/zinc/26/66/84/205266684.db2.gz PBKDBUGUDXRHLJ-UHFFFAOYSA-N 1 0 373.522 3.764 50 0 FHAARO CC[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000058308660 205270737 /nfs/dbraw/zinc/27/07/37/205270737.db2.gz CKIGWSBGBIPDQY-INIZCTEOSA-N 1 0 353.466 3.916 50 0 FHAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC000057873082 205246528 /nfs/dbraw/zinc/24/65/28/205246528.db2.gz BXAQIBVFSCYUFF-CQSZACIVSA-N 1 0 371.868 3.756 50 0 FHAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cncc(-n3cccn3)n2)C1 ZINC000057984852 205247122 /nfs/dbraw/zinc/24/71/22/205247122.db2.gz HRVMLAIZHCNBHR-QGZVFWFLSA-N 1 0 362.481 3.506 50 0 FHAARO CCc1ccccc1NC(=O)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000064761153 205304733 /nfs/dbraw/zinc/30/47/33/205304733.db2.gz PLATUGGQVOTFFS-UHFFFAOYSA-N 1 0 362.477 3.947 50 0 FHAARO CCn1cc(C[NH2+][C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)cn1 ZINC000064131732 205297911 /nfs/dbraw/zinc/29/79/11/205297911.db2.gz KLRXPPRZKVTEIZ-HNNXBMFYSA-N 1 0 356.518 3.621 50 0 FHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000065245421 205328406 /nfs/dbraw/zinc/32/84/06/205328406.db2.gz WXWBFJXNCJQRMR-IBGZPJMESA-N 1 0 369.509 3.644 50 0 FHAARO CC(C)Oc1ccc(CNC(=O)C2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000064817966 205306458 /nfs/dbraw/zinc/30/64/58/205306458.db2.gz IOKXMCXCQPDUQG-UHFFFAOYSA-N 1 0 364.489 3.922 50 0 FHAARO O=C(NCC[NH+]1CCCCC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967886 205311718 /nfs/dbraw/zinc/31/17/18/205311718.db2.gz LKBDLKPFNGAOCO-UHFFFAOYSA-N 1 0 363.461 3.634 50 0 FHAARO C[C@H](NC(=O)C1CC[NH+](Cc2cn(C)c3ccccc23)CC1)c1ccco1 ZINC000065059988 205316212 /nfs/dbraw/zinc/31/62/12/205316212.db2.gz QRJLWVBCSOTBCL-INIZCTEOSA-N 1 0 365.477 3.861 50 0 FHAARO CCCCc1ccc(C(=O)CCC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000065585898 205359882 /nfs/dbraw/zinc/35/98/82/205359882.db2.gz UHJGSIFNXMEAMY-HXUWFJFHSA-N 1 0 356.510 3.689 50 0 FHAARO Cc1cc(-n2nc(CCc3ccccc3)nc2[C@H](C)Cn2cccn2)cc[nH+]1 ZINC000065380469 205341975 /nfs/dbraw/zinc/34/19/75/205341975.db2.gz ZMFBDBMYUDKGAF-QGZVFWFLSA-N 1 0 372.476 3.756 50 0 FHAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1nc2ccccc2s1 ZINC000065384732 205342495 /nfs/dbraw/zinc/34/24/95/205342495.db2.gz WDIVXVZTUPZPFW-MRXNPFEDSA-N 1 0 352.463 3.857 50 0 FHAARO C[C@@H](CCN(C)Cc1cnc2c(-c3ccccc3)cnn2c1)[NH+]1CCCC1 ZINC000067431848 205370809 /nfs/dbraw/zinc/37/08/09/205370809.db2.gz GWWOCTNSUPUOJT-SFHVURJKSA-N 1 0 363.509 3.703 50 0 FHAARO COc1cc(OC)c2nc(-c3ccc(F)c4c3O[C@H](C[NH3+])C4)cc(C)c2c1 ZINC000067513492 205373067 /nfs/dbraw/zinc/37/30/67/205373067.db2.gz TWHAMDBWEFHNHG-ZDUSSCGKSA-N 1 0 368.408 3.629 50 0 FHAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000067514002 205374900 /nfs/dbraw/zinc/37/49/00/205374900.db2.gz YAXKQZBSAYCNKH-CYBMUJFWSA-N 1 0 354.372 3.873 50 0 FHAARO Cc1cccnc1C[C@@H](C)[N@H+](C)Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067588861 205376032 /nfs/dbraw/zinc/37/60/32/205376032.db2.gz BPOHMYVMSZFRRJ-CQSZACIVSA-N 1 0 355.869 3.948 50 0 FHAARO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(C(=O)N3CCCC3)cc1)CC2 ZINC000067642015 205378129 /nfs/dbraw/zinc/37/81/29/205378129.db2.gz OBTCWDUJADTXSP-NRFANRHFSA-N 1 0 364.489 3.578 50 0 FHAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3cnc4c(-c5ccccc5)cnn4c3)C2)n1 ZINC000067674232 205379580 /nfs/dbraw/zinc/37/95/80/205379580.db2.gz LMEJLIQOFPWINX-FQEVSTJZSA-N 1 0 372.476 3.657 50 0 FHAARO C[C@@H](Cc1cnccn1)[NH2+]Cc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067713154 205386527 /nfs/dbraw/zinc/38/65/27/205386527.db2.gz RTEGLUIPAKWQNG-ZDUSSCGKSA-N 1 0 356.376 3.663 50 0 FHAARO c1cc(CN2CCc3nc[nH]c3[C@@H]2c2ccsc2)n(-c2cc[nH+]cc2)c1 ZINC000067755339 205388639 /nfs/dbraw/zinc/38/86/39/205388639.db2.gz ARWUCUUKHHHCRE-FQEVSTJZSA-N 1 0 361.474 3.805 50 0 FHAARO c1ccc(C2(c3ccccc3)CCN(c3ncnc4c3CC[NH2+]C4)CC2)cc1 ZINC000067817523 205395005 /nfs/dbraw/zinc/39/50/05/205395005.db2.gz DDHKJYWLGHDXIZ-UHFFFAOYSA-N 1 0 370.500 3.709 50 0 FHAARO COc1ccc(CC2(CO)CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000067847217 205396146 /nfs/dbraw/zinc/39/61/46/205396146.db2.gz STJSVGNSMCXFIW-UHFFFAOYSA-N 1 0 364.489 3.994 50 0 FHAARO Cc1cc2c(c(-c3cc(C(C)C)nc(C(F)(F)F)n3)c1)O[C@H](C[NH3+])C2 ZINC000067872993 205398736 /nfs/dbraw/zinc/39/87/36/205398736.db2.gz IPTZYTVXPHAFKP-LBPRGKRZSA-N 1 0 351.372 3.856 50 0 FHAARO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCCC[NH+](C)C)cc1 ZINC000072037207 205463594 /nfs/dbraw/zinc/46/35/94/205463594.db2.gz SXELCTHZBCFQNP-UHFFFAOYSA-N 1 0 373.522 3.805 50 0 FHAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000072150280 205482905 /nfs/dbraw/zinc/48/29/05/205482905.db2.gz AZMNIKFXSWTWEG-QFIPXVFZSA-N 1 0 367.493 3.664 50 0 FHAARO Cc1ccc(C)c(-n2cc(CN3CC[NH+](C)CC3)c(-c3ccccc3)n2)c1 ZINC000072463439 205556764 /nfs/dbraw/zinc/55/67/64/205556764.db2.gz YJJUQCKIPORGHB-UHFFFAOYSA-N 1 0 360.505 3.904 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1Br)CC(C)C ZINC000075572432 205578449 /nfs/dbraw/zinc/57/84/49/205578449.db2.gz LFNDBJMPNMWSKM-AWEZNQCLSA-N 1 0 355.320 3.935 50 0 FHAARO Cc1ccc([C@@H]2CN(C(=O)c3c[nH]nc3-c3ccccc3)C[C@H]2[NH+](C)C)cc1 ZINC000077420951 205598215 /nfs/dbraw/zinc/59/82/15/205598215.db2.gz FPBXJZCEFCOWAT-LEWJYISDSA-N 1 0 374.488 3.555 50 0 FHAARO Cn1nc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1-c1ccccc1 ZINC000091254532 205667869 /nfs/dbraw/zinc/66/78/69/205667869.db2.gz VBFOEMOORBMLGW-LJQANCHMSA-N 1 0 366.509 3.568 50 0 FHAARO O=C(NCC1(COc2ccccc2)CC1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095387040 205749301 /nfs/dbraw/zinc/74/93/01/205749301.db2.gz ARIQAQLLFXAMSH-HXUWFJFHSA-N 1 0 364.489 3.743 50 0 FHAARO O=C(NCC1(COc2ccccc2)CC1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095387041 205750748 /nfs/dbraw/zinc/75/07/48/205750748.db2.gz ARIQAQLLFXAMSH-FQEVSTJZSA-N 1 0 364.489 3.743 50 0 FHAARO C[NH+]1CCC2(CCCN2C(=O)c2ccnc(Oc3ccccc3)c2)CC1 ZINC000095454234 205757677 /nfs/dbraw/zinc/75/76/77/205757677.db2.gz NJYRJTLEYXJAHF-UHFFFAOYSA-N 1 0 351.450 3.574 50 0 FHAARO c1ccc(CC[NH+]2CCC(CNc3nccc(-c4cccnc4)n3)CC2)cc1 ZINC000096167056 205844940 /nfs/dbraw/zinc/84/49/40/205844940.db2.gz KTPKZCRBXOMNKV-UHFFFAOYSA-N 1 0 373.504 3.905 50 0 FHAARO COc1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000097775567 205925781 /nfs/dbraw/zinc/92/57/81/205925781.db2.gz BSVJDTKIUZLZLX-HSZRJFAPSA-N 1 0 366.505 3.865 50 0 FHAARO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C[C@@H]2CCCO2)cc1 ZINC000105750099 206009834 /nfs/dbraw/zinc/00/98/34/206009834.db2.gz FXBJOEJTYRHYCE-YADHBBJMSA-N 1 0 369.505 3.724 50 0 FHAARO O=C(Cc1ccccc1Cl)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043971731 206061927 /nfs/dbraw/zinc/06/19/27/206061927.db2.gz HPPOYNADJXEEMA-UHFFFAOYSA-N 1 0 362.926 3.972 50 0 FHAARO COc1cc(C[NH2+]Cc2cccc(Br)c2)cc(OC)c1OC ZINC000048301126 206081956 /nfs/dbraw/zinc/08/19/56/206081956.db2.gz DYAMNAAVHAMVLV-UHFFFAOYSA-N 1 0 366.255 3.765 50 0 FHAARO COc1ccc2cc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)ccc2c1 ZINC000049611682 206087926 /nfs/dbraw/zinc/08/79/26/206087926.db2.gz IWGAOJNLNOAIJT-NRFANRHFSA-N 1 0 362.473 3.751 50 0 FHAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C(=C/c2ccccc2OC)c2ccccc2)C1 ZINC000237214605 206094329 /nfs/dbraw/zinc/09/43/29/206094329.db2.gz KEWLCTJYIHSLDM-CQHJRZBDSA-N 1 0 364.489 3.694 50 0 FHAARO CCOC(=O)c1c2c(sc1NC(=O)C(C)C)C(C)(C)[NH2+]C(C)(C)C2 ZINC000004275298 206175364 /nfs/dbraw/zinc/17/53/64/206175364.db2.gz LGPPWXYMJIEIGX-UHFFFAOYSA-N 1 0 352.500 3.679 50 0 FHAARO Cc1cc(C)cc(C(=O)NCCn2cc(SC(N)=[NH2+])c3ccccc32)c1 ZINC000003866100 206165971 /nfs/dbraw/zinc/16/59/71/206165971.db2.gz NGDCINRNFUYTOU-UHFFFAOYSA-N 1 0 366.490 3.674 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000006455357 206201590 /nfs/dbraw/zinc/20/15/90/206201590.db2.gz FOXKGUAZRBDKEL-GGPKGHCWSA-N 1 0 363.542 3.718 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000006432706 206202258 /nfs/dbraw/zinc/20/22/58/206202258.db2.gz PRESKBPIWRAOBC-UHFFFAOYSA-N 1 0 367.493 3.627 50 0 FHAARO C[C@@H](NC(=O)CN1CCC[C@H]1c1cccn1C)c1cc2ccccc2o1 ZINC000103994145 206229771 /nfs/dbraw/zinc/22/97/71/206229771.db2.gz QWZBFOWGJSWULM-QAPCUYQASA-N 1 0 351.450 3.786 50 0 FHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)o2)C1 ZINC000106135314 206232815 /nfs/dbraw/zinc/23/28/15/206232815.db2.gz YSMCVUZUDHAAQP-TZMCWYRMSA-N 1 0 363.255 3.607 50 0 FHAARO CN(C)[C@H](CNC(=O)c1cc(Br)ccc1Cl)c1ccco1 ZINC000003491257 206234213 /nfs/dbraw/zinc/23/42/13/206234213.db2.gz LHQNNFQZLGCNMC-CYBMUJFWSA-N 1 0 371.662 3.728 50 0 FHAARO CCOc1ccc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000170611207 206274646 /nfs/dbraw/zinc/27/46/46/206274646.db2.gz LAPOAZUKEJLWFW-UHFFFAOYSA-N 1 0 353.894 3.982 50 0 FHAARO CC(C)[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000170613296 206274385 /nfs/dbraw/zinc/27/43/85/206274385.db2.gz BUJFHMIPUDWUEY-IBGZPJMESA-N 1 0 364.486 3.563 50 0 FHAARO C[NH2+]CC(=O)NCc1ccc(Oc2ccc(Cl)cc2Cl)c(C)c1 ZINC000170677538 206279865 /nfs/dbraw/zinc/27/98/65/206279865.db2.gz HKOUQBUKLPYONZ-UHFFFAOYSA-N 1 0 353.249 3.930 50 0 FHAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010474341 206279701 /nfs/dbraw/zinc/27/97/01/206279701.db2.gz MHRKYFPJECWWSC-INIZCTEOSA-N 1 0 364.283 3.889 50 0 FHAARO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(C3CC3)on2)CC[N@@H+]1Cc1ccccc1 ZINC000172411877 206283001 /nfs/dbraw/zinc/28/30/01/206283001.db2.gz DDGLSCJMFOJKDB-QAPCUYQASA-N 1 0 353.466 3.677 50 0 FHAARO Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000053720645 206310666 /nfs/dbraw/zinc/31/06/66/206310666.db2.gz CQMISUFOZAPIMQ-INIZCTEOSA-N 1 0 368.525 3.983 50 0 FHAARO Cc1[nH]c2ccccc2c1[C@H](c1cccs1)[NH+]1CCC(C(N)=O)CC1 ZINC000019864054 206328476 /nfs/dbraw/zinc/32/84/76/206328476.db2.gz XNKLPDHFLDOPGJ-IBGZPJMESA-N 1 0 353.491 3.825 50 0 FHAARO C[C@@H]1CN(Cc2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2)C[C@@H](C)O1 ZINC000195528679 206331957 /nfs/dbraw/zinc/33/19/57/206331957.db2.gz FHEZZRCEQVNWLE-YVHKJVDXSA-N 1 0 364.489 3.713 50 0 FHAARO c1ccc(CSc2ncc(CN3CC[C@H]([NH+]4CCCCC4)C3)cn2)cc1 ZINC000214994231 206343394 /nfs/dbraw/zinc/34/33/94/206343394.db2.gz SKMKRDTUANOSDG-FQEVSTJZSA-N 1 0 368.550 3.829 50 0 FHAARO Cn1ccc2c1cccc2C(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000215636302 206350355 /nfs/dbraw/zinc/35/03/55/206350355.db2.gz ZRRQUQILDPRCMD-NRFANRHFSA-N 1 0 365.452 3.884 50 0 FHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCc4ccccc43)CC2)o1 ZINC000215912053 206351052 /nfs/dbraw/zinc/35/10/52/206351052.db2.gz IEWDXAQWTGYSKQ-OAQYLSRUSA-N 1 0 352.478 3.646 50 0 FHAARO O[C@H](c1cccs1)C1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000216026915 206353449 /nfs/dbraw/zinc/35/34/49/206353449.db2.gz ZXGADTFYWWLFPB-FQEVSTJZSA-N 1 0 353.491 3.879 50 0 FHAARO CN(C)[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)Cc1ccccc1 ZINC000021841811 206363058 /nfs/dbraw/zinc/36/30/58/206363058.db2.gz HKESSPYKWDPYNX-GOSISDBHSA-N 1 0 374.912 3.764 50 0 FHAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000022095753 206366356 /nfs/dbraw/zinc/36/63/56/206366356.db2.gz NGJDQZWKXVCYAB-HKUYNNGSSA-N 1 0 355.482 3.732 50 0 FHAARO COc1cc2c(cc1CNC1CC[NH+](Cc3ccccc3)CC1)O[C@@H](C)C2 ZINC000022771322 206392221 /nfs/dbraw/zinc/39/22/21/206392221.db2.gz VZPCDOPLRKFMMN-KRWDZBQOSA-N 1 0 366.505 3.773 50 0 FHAARO Cc1cccc(OC2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000220024344 206396921 /nfs/dbraw/zinc/39/69/21/206396921.db2.gz SZLXJUJOMTXGQD-JOCHJYFZSA-N 1 0 364.489 3.639 50 0 FHAARO COc1ccc(Cl)cc1C(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023016621 206397212 /nfs/dbraw/zinc/39/72/12/206397212.db2.gz NMFOKGRTLAMTJG-UHFFFAOYSA-N 1 0 362.857 3.584 50 0 FHAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@@H]21 ZINC000225581561 206487120 /nfs/dbraw/zinc/48/71/20/206487120.db2.gz HIXYJQWLYQXPLW-CMKODMSKSA-N 1 0 367.493 3.970 50 0 FHAARO Cc1nc(CC[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cs1 ZINC000095466843 206534128 /nfs/dbraw/zinc/53/41/28/206534128.db2.gz XHYFVWTWLJOQTR-CJNGLKHVSA-N 1 0 353.532 3.762 50 0 FHAARO O=C(c1cc2cc(Br)ccc2o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000060373983 221130514 /nfs/dbraw/zinc/13/05/14/221130514.db2.gz VQZRLKPYHKMMLH-CQSZACIVSA-N 1 0 363.255 3.506 50 0 FHAARO Cc1cc(C)c2c(ncnc2N2CCC([N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC000095356337 132207059 /nfs/dbraw/zinc/20/70/59/132207059.db2.gz ZCDPDUKMDGFDLS-UHFFFAOYSA-N 1 0 373.504 3.669 50 0 FHAARO Cc1nc(C[NH2+]C2CCN(c3ncnc4sc(C)c(C)c43)CC2)cs1 ZINC000095388605 132210123 /nfs/dbraw/zinc/21/01/23/132210123.db2.gz HJSXUYYGIQNJAU-UHFFFAOYSA-N 1 0 373.551 3.832 50 0 FHAARO CSc1nccc(N2CCC([NH2+][C@H](C)c3nc(C)sc3C)CC2)n1 ZINC000095390924 132210549 /nfs/dbraw/zinc/21/05/49/132210549.db2.gz OWKKFNDURZPUCH-LLVKDONJSA-N 1 0 363.556 3.591 50 0 FHAARO C[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)C1 ZINC000107326262 132241602 /nfs/dbraw/zinc/24/16/02/132241602.db2.gz UVCFBZNFCJHWOD-XLIONFOSSA-N 1 0 350.462 3.885 50 0 FHAARO Cc1cc(N2CCC(CNC(=O)CCSc3ccccc3)CC2)cc[nH+]1 ZINC000240068000 132376630 /nfs/dbraw/zinc/37/66/30/132376630.db2.gz SGYKJOSRHCJFPK-UHFFFAOYSA-N 1 0 369.534 3.905 50 0 FHAARO Fc1ccc2[nH]c3c(ncnc3N3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000002309763 132383228 /nfs/dbraw/zinc/38/32/28/132383228.db2.gz UMFRQKUSTIIENF-UHFFFAOYSA-N 1 0 353.445 3.705 50 0 FHAARO FC(F)(F)c1ccnc(N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c1 ZINC000004325268 132386821 /nfs/dbraw/zinc/38/68/21/132386821.db2.gz CIIWDMMMIKVPNO-UHFFFAOYSA-N 1 0 360.383 3.904 50 0 FHAARO O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000033128960 136117428 /nfs/dbraw/zinc/11/74/28/136117428.db2.gz MAWBMOLICJFIKW-UHFFFAOYSA-N 1 0 363.505 3.779 50 0 FHAARO Cn1cc(C[N@H+](C)C2CCN(c3cccc(-c4cscn4)c3)CC2)cn1 ZINC000048156066 136123001 /nfs/dbraw/zinc/12/30/01/136123001.db2.gz CMRVPFZWKPJTMG-UHFFFAOYSA-N 1 0 367.522 3.644 50 0 FHAARO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)c1C ZINC000065461260 136136510 /nfs/dbraw/zinc/13/65/10/136136510.db2.gz JRXCVYMSVTUVMK-UHFFFAOYSA-N 1 0 355.457 3.593 50 0 FHAARO Cc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)cc(C)[nH+]1 ZINC000072430735 136146878 /nfs/dbraw/zinc/14/68/78/136146878.db2.gz JSGWNWUIZNGVAS-JOCHJYFZSA-N 1 0 364.493 3.503 50 0 FHAARO CC(C)(O)CCc1cccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC000072468430 221543034 /nfs/dbraw/zinc/54/30/34/221543034.db2.gz HWXQXDLIKYIIBV-NRFANRHFSA-N 1 0 372.553 3.871 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2ccc(OC)cc2OC)cc1 ZINC000426361848 263565543 /nfs/dbraw/zinc/56/55/43/263565543.db2.gz XEACCGYHSAXRBV-GOSISDBHSA-N 1 0 368.477 3.585 50 0 FHAARO CN(Cc1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000426716874 263663197 /nfs/dbraw/zinc/66/31/97/263663197.db2.gz LTNAQRNBRXBFBX-UHFFFAOYSA-N 1 0 369.484 3.631 50 0 FHAARO CCC[N@@H+]1CCCn2nc(CNC(=O)Nc3ccccc3SC)cc2C1 ZINC000082099727 519854854 /nfs/dbraw/zinc/85/48/54/519854854.db2.gz XSAIGBXKXKDKEM-UHFFFAOYSA-N 1 0 373.526 3.542 50 0 FHAARO CCCOc1c(Cl)cc(C[NH2+]CCCN2CCCC2=O)cc1Cl ZINC000020926642 520295418 /nfs/dbraw/zinc/29/54/18/520295418.db2.gz KNIYXKYDEFWAQP-UHFFFAOYSA-N 1 0 359.297 3.884 50 0 FHAARO CC[NH+](CC)CCCNC(=O)c1ccc(N2CCc3ccccc32)s1 ZINC000020985880 520620846 /nfs/dbraw/zinc/62/08/46/520620846.db2.gz PHGIMYMFYOYGBX-UHFFFAOYSA-N 1 0 357.523 3.904 50 0 FHAARO C[NH2+]C[C@@H]1CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000159034142 522042577 /nfs/dbraw/zinc/04/25/77/522042577.db2.gz BRJORFZPNNMRAX-ZDUSSCGKSA-N 1 0 359.297 3.610 50 0 FHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)C1 ZINC000158980621 522043727 /nfs/dbraw/zinc/04/37/27/522043727.db2.gz YGOXJJQHVNGFNB-AWEZNQCLSA-N 1 0 360.404 3.829 50 0 FHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2sc(-c3ccc(C)cc3C)nc2C)C1 ZINC000158974536 522083309 /nfs/dbraw/zinc/08/33/09/522083309.db2.gz WORHJGCBMYWTAT-MRXNPFEDSA-N 1 0 357.523 3.807 50 0 FHAARO COc1cc(C)c(CN2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1C(C)C ZINC000091680369 522195682 /nfs/dbraw/zinc/19/56/82/522195682.db2.gz CBKHQWFZKJUNKY-NHCUHLMSSA-N 1 0 374.569 3.653 50 0 FHAARO CCc1nn2c(nc(C[N@H+](C)Cc3ccc(C(C)(C)C)cc3)cc2=O)s1 ZINC000020961979 522707016 /nfs/dbraw/zinc/70/70/16/522707016.db2.gz XRLIGRPUGWEIJM-UHFFFAOYSA-N 1 0 370.522 3.643 50 0 FHAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(-c2ccccc2)n1C ZINC000082138647 523084824 /nfs/dbraw/zinc/08/48/24/523084824.db2.gz HDOXQQJYZXJGCY-NRFANRHFSA-N 1 0 373.500 3.821 50 0 FHAARO COc1ccc(/C=C/C[NH+]2CCC(Cc3nnc(SC)n3C)CC2)cc1 ZINC000082126794 523404593 /nfs/dbraw/zinc/40/45/93/523404593.db2.gz GBTOXNUIFMPQOY-SNAWJCMRSA-N 1 0 372.538 3.514 50 0 FHAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)cc1OC ZINC000020538984 523776596 /nfs/dbraw/zinc/77/65/96/523776596.db2.gz KYFJLLREEHNWQD-QGZVFWFLSA-N 1 0 354.450 3.502 50 0 FHAARO CCc1ccc(C[NH+]2CCN(Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000019831577 523926752 /nfs/dbraw/zinc/92/67/52/523926752.db2.gz CZKHLAGEWRKRFO-UHFFFAOYSA-N 1 0 354.494 3.584 50 0 FHAARO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000078710451 524047588 /nfs/dbraw/zinc/04/75/88/524047588.db2.gz VYWGZSQKNOBEOT-JKSUJKDBSA-N 1 0 360.523 3.911 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000241961228 524103455 /nfs/dbraw/zinc/10/34/55/524103455.db2.gz UQJKYJKUHCATAX-PBHICJAKSA-N 1 0 365.905 3.727 50 0 FHAARO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000020569873 524130850 /nfs/dbraw/zinc/13/08/50/524130850.db2.gz JJPMFBPUUZHTSC-GCJKJVERSA-N 1 0 366.505 3.942 50 0 FHAARO Cc1cccc(C(=O)c2ccccc2C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000085651529 524226278 /nfs/dbraw/zinc/22/62/78/524226278.db2.gz FMZNURJRKLMPES-UHFFFAOYSA-N 1 0 351.446 3.565 50 0 FHAARO COc1ccccc1C[NH2+]C[C@@](O)(c1ccccc1)c1ccc(F)cc1 ZINC000020365975 524486038 /nfs/dbraw/zinc/48/60/38/524486038.db2.gz WDJMILOFAGODTB-JOCHJYFZSA-N 1 0 351.421 3.860 50 0 FHAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C)c1 ZINC000020109636 525430352 /nfs/dbraw/zinc/43/03/52/525430352.db2.gz VMQVIRTXFJKDTB-FQEVSTJZSA-N 1 0 374.912 3.519 50 0 FHAARO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000020109629 525436672 /nfs/dbraw/zinc/43/66/72/525436672.db2.gz DATJBWPHTQSAHO-HXUWFJFHSA-N 1 0 374.912 3.519 50 0 FHAARO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000328587298 534861949 /nfs/dbraw/zinc/86/19/49/534861949.db2.gz XRJRLYADAKFVIU-PMPSAXMXSA-N 1 0 366.937 3.682 50 0 FHAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncnc(NC3CCCCC3)c12 ZINC000020589114 525682754 /nfs/dbraw/zinc/68/27/54/525682754.db2.gz BCZCTWJPKMHDEK-UHFFFAOYSA-N 1 0 371.529 3.515 50 0 FHAARO Fc1cccc(C[NH2+]Cc2cccn2-c2nnc(N3CCCCC3)s2)c1 ZINC000020942893 526388321 /nfs/dbraw/zinc/38/83/21/526388321.db2.gz RZBAKDYTPGBAML-UHFFFAOYSA-N 1 0 371.485 3.748 50 0 FHAARO [NH3+]C[C@H]1CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C1 ZINC000178574564 527238155 /nfs/dbraw/zinc/23/81/55/527238155.db2.gz UKMYZGPQNKVLOD-CYBMUJFWSA-N 1 0 363.383 3.870 50 0 FHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2cccc(F)c2)CC1 ZINC000003553057 536420922 /nfs/dbraw/zinc/42/09/22/536420922.db2.gz IDBAMXHGGSWDOD-VMPITWQZSA-N 1 0 373.859 3.883 50 0 FHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000096544690 536421598 /nfs/dbraw/zinc/42/15/98/536421598.db2.gz ZXLYQIGBMNBIGR-WTKPLQERSA-N 1 0 373.859 3.883 50 0 FHAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000001401279 536424873 /nfs/dbraw/zinc/42/48/73/536424873.db2.gz OUPSHHMGNLAVPC-UHFFFAOYSA-N 1 0 364.276 3.998 50 0 FHAARO COc1ccc2nc(N3CCC([NH2+]C4CCCCC4)CC3)nc(C)c2c1 ZINC000012037375 537054767 /nfs/dbraw/zinc/05/47/67/537054767.db2.gz UAKJYPMLUTUBDL-UHFFFAOYSA-N 1 0 354.498 3.838 50 0 FHAARO C[NH+](C)C(C)(C)CNC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000024686880 567955474 /nfs/dbraw/zinc/95/54/74/567955474.db2.gz SUSBGRBSYADKBO-UHFFFAOYSA-N 1 0 353.510 3.848 50 0 FHAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@H](O)c1ccc(Cl)cc1 ZINC000221249432 568393953 /nfs/dbraw/zinc/39/39/53/568393953.db2.gz ODOVYGAKCAQESP-HXUWFJFHSA-N 1 0 372.896 3.628 50 0 FHAARO Cc1cccc2cc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)n(C)c21 ZINC000091830807 570440264 /nfs/dbraw/zinc/44/02/64/570440264.db2.gz APFHZUWRZDWXIV-UYAOXDASSA-N 1 0 365.521 3.823 50 0 FHAARO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)cc1Cl ZINC000092099934 570447591 /nfs/dbraw/zinc/44/75/91/570447591.db2.gz MXLZPYBCKNZQNY-QFBILLFUSA-N 1 0 369.896 3.780 50 0 FHAARO CCCn1c2ccccc2c2nnc(SCC[NH+]3CCCCC3)nc21 ZINC000000714700 570452501 /nfs/dbraw/zinc/45/25/01/570452501.db2.gz SHKFHSVQMJAIRS-UHFFFAOYSA-N 1 0 355.511 3.968 50 0 FHAARO CC[NH+]1CCC(CC(=O)N[C@H](c2ccncc2)c2ccccc2C)CC1 ZINC000095355049 570452695 /nfs/dbraw/zinc/45/26/95/570452695.db2.gz ZILZKJYOQVSWJC-JOCHJYFZSA-N 1 0 351.494 3.718 50 0 FHAARO Fc1ccc(C[N@@H+]2CCC[C@H](Nc3nccc(C(F)(F)F)n3)C2)cc1 ZINC000095354187 570452924 /nfs/dbraw/zinc/45/29/24/570452924.db2.gz VOOHDQWMLVXQNW-AWEZNQCLSA-N 1 0 354.351 3.711 50 0 FHAARO Oc1cccc([C@@H]2C[N@H+](Cc3ccc(F)cc3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095361949 570454463 /nfs/dbraw/zinc/45/44/63/570454463.db2.gz RUVQERJOGFCBQF-BHDDXSALSA-N 1 0 352.453 3.594 50 0 FHAARO Cc1cccc(C[N@@H+]2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095363945 570455002 /nfs/dbraw/zinc/45/50/02/570455002.db2.gz HMIYACCJPWGIRE-VLCRHTCISA-N 1 0 369.459 3.730 50 0 FHAARO COc1cccc(C[N@@H+]2CCC[C@@H](c3nccn3Cc3cscn3)C2)c1 ZINC000095371420 570456305 /nfs/dbraw/zinc/45/63/05/570456305.db2.gz GJBJSOVVHHKRKB-QGZVFWFLSA-N 1 0 368.506 3.776 50 0 FHAARO O=C(NCc1csc2c1CCCC2)C1CC[NH+](Cc2ccco2)CC1 ZINC000095371787 570456803 /nfs/dbraw/zinc/45/68/03/570456803.db2.gz YJHPBRWBNFQGQX-UHFFFAOYSA-N 1 0 358.507 3.748 50 0 FHAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000095375678 570457448 /nfs/dbraw/zinc/45/74/48/570457448.db2.gz UAHCMVCQTYLRRZ-QGZVFWFLSA-N 1 0 374.916 3.508 50 0 FHAARO Cc1nccn1-c1ccc(CNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000095382770 570459719 /nfs/dbraw/zinc/45/97/19/570459719.db2.gz MIHGCEJHYBDPOL-NRFANRHFSA-N 1 0 374.488 3.578 50 0 FHAARO O=C(c1ccc[nH]1)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095391159 570460692 /nfs/dbraw/zinc/46/06/92/570460692.db2.gz HYGXTJGUUUISIE-LJQANCHMSA-N 1 0 363.505 3.889 50 0 FHAARO COCCN(Cc1cccs1)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095392006 570461254 /nfs/dbraw/zinc/46/12/54/570461254.db2.gz GRZFWNKNRJOZNQ-SFHVURJKSA-N 1 0 358.507 3.504 50 0 FHAARO COc1ccc(-c2ccccc2NC(=O)NC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000095508137 570464878 /nfs/dbraw/zinc/46/48/78/570464878.db2.gz RYWMEUXPMKOQME-QGZVFWFLSA-N 1 0 353.466 3.968 50 0 FHAARO Cc1nnc(-c2ccc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)cc2)o1 ZINC000095513052 570465998 /nfs/dbraw/zinc/46/59/98/570465998.db2.gz YSTPBISYCXLYBR-UHFFFAOYSA-N 1 0 369.469 3.527 50 0 FHAARO CCc1ccc(C(=O)N(CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)[nH]1 ZINC000095520486 570467464 /nfs/dbraw/zinc/46/74/64/570467464.db2.gz QXMKJRIGDARZGS-IBGZPJMESA-N 1 0 353.510 3.604 50 0 FHAARO CC(C)c1cc(C(=O)N2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)no1 ZINC000095522402 570467795 /nfs/dbraw/zinc/46/77/95/570467795.db2.gz BNUHSSOADFSSLX-SFHVURJKSA-N 1 0 367.493 3.892 50 0 FHAARO CSCCC[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095525880 570468534 /nfs/dbraw/zinc/46/85/34/570468534.db2.gz AXOBFAXCAGJZSC-UHFFFAOYSA-N 1 0 366.958 3.908 50 0 FHAARO Cc1c[nH+]ccc1N1CCCN(C(=O)Nc2ccc3ncsc3c2)CC1 ZINC000096132742 570476175 /nfs/dbraw/zinc/47/61/75/570476175.db2.gz WLQPXSPIFZFSAO-UHFFFAOYSA-N 1 0 367.478 3.744 50 0 FHAARO CCCC(=O)Nc1cccc(NC(=O)N(C)CC[NH+]2CCCCCC2)c1 ZINC000096139005 570476641 /nfs/dbraw/zinc/47/66/41/570476641.db2.gz HLBDCLHTCQIZJJ-UHFFFAOYSA-N 1 0 360.502 3.765 50 0 FHAARO COCC[N@@H+]1CCC[C@@H](CN(C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000096152992 570477528 /nfs/dbraw/zinc/47/75/28/570477528.db2.gz JVPSIMBHOUXKBX-INIZCTEOSA-N 1 0 367.921 3.779 50 0 FHAARO CCn1nc(Cc2ccc(OC)cc2)nc1-c1ccc(C[NH+]2CCCC2)o1 ZINC000096153967 570477552 /nfs/dbraw/zinc/47/75/52/570477552.db2.gz CGZJTNAKVXLPTI-UHFFFAOYSA-N 1 0 366.465 3.753 50 0 FHAARO O=C(Nc1ccnn1C1CCCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000096166017 570478620 /nfs/dbraw/zinc/47/86/20/570478620.db2.gz RCKSPUQTCAJPFZ-SFHVURJKSA-N 1 0 367.497 3.784 50 0 FHAARO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000096164746 570478675 /nfs/dbraw/zinc/47/86/75/570478675.db2.gz NSRIEROEFGCGCW-QGZVFWFLSA-N 1 0 363.465 3.788 50 0 FHAARO C[C@H]1C(c2cccs2)[N+](=O)[C@](C)(c2ccc(Br)cc2)N1O ZINC000001152137 570484868 /nfs/dbraw/zinc/48/48/68/570484868.db2.gz NLJREFMPITYUBU-ZUZCIYMTSA-N 1 0 367.268 3.776 50 0 FHAARO CN(C)c1nc(Cl)c(CN(C)Cc2cccc(C[NH+](C)C)c2)s1 ZINC000097529072 570489805 /nfs/dbraw/zinc/48/98/05/570489805.db2.gz URTSNGSKLZSECA-UHFFFAOYSA-N 1 0 352.935 3.556 50 0 FHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1ccc2nccnc2c1 ZINC000097547469 570490287 /nfs/dbraw/zinc/49/02/87/570490287.db2.gz WHDAPUUHLWMKSI-JOCHJYFZSA-N 1 0 374.488 3.977 50 0 FHAARO CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000097602565 570491292 /nfs/dbraw/zinc/49/12/92/570491292.db2.gz ZBHDWUZLVJUXAX-QGZVFWFLSA-N 1 0 370.497 3.673 50 0 FHAARO COCCN(Cc1cccc2ccccc21)C(=O)[C@H]1CCCCC[N@@H+]1C ZINC000097642484 570491568 /nfs/dbraw/zinc/49/15/68/570491568.db2.gz WUVIDXLHQLAMME-OAQYLSRUSA-N 1 0 354.494 3.689 50 0 FHAARO CCCc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)no1 ZINC000097636488 570491693 /nfs/dbraw/zinc/49/16/93/570491693.db2.gz UWSBDDBQCRZREA-FQEVSTJZSA-N 1 0 355.482 3.974 50 0 FHAARO COc1ccccc1-c1cccc(NC(=O)N[C@H](C)C[NH+]2CCCC2)c1 ZINC000097694956 570492549 /nfs/dbraw/zinc/49/25/49/570492549.db2.gz HKTCFIAIKWKPND-MRXNPFEDSA-N 1 0 353.466 3.968 50 0 FHAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc(-c3ccc(O)cc3)c2)C1 ZINC000097732842 570493535 /nfs/dbraw/zinc/49/35/35/570493535.db2.gz XSRBJVCUIJIOQO-INIZCTEOSA-N 1 0 350.462 3.758 50 0 FHAARO C[C@H](c1cccc(-c2ccc(N3CCSCC3)nn2)c1)[NH+]1CCCC1 ZINC000097757981 570493710 /nfs/dbraw/zinc/49/37/10/570493710.db2.gz OWYXCNZDQHJNBR-MRXNPFEDSA-N 1 0 354.523 3.854 50 0 FHAARO COC1(c2ccccc2)CCN(C(=O)c2ccccc2-c2ncc[nH]2)CC1 ZINC000097815369 570495005 /nfs/dbraw/zinc/49/50/05/570495005.db2.gz RVGJUBPVDUFVPU-UHFFFAOYSA-N 1 0 361.445 3.855 50 0 FHAARO CCn1ncc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)c1C ZINC000097819468 570495588 /nfs/dbraw/zinc/49/55/88/570495588.db2.gz SYSXTERGBLINTQ-IBGZPJMESA-N 1 0 374.916 3.822 50 0 FHAARO CCNC(=O)[C@@H]1C[C@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2F)C1 ZINC000034711186 570532688 /nfs/dbraw/zinc/53/26/88/570532688.db2.gz YBDKHMQPMBHKOT-VQTJNVASSA-N 1 0 354.469 3.876 50 0 FHAARO Cn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000034903628 570559584 /nfs/dbraw/zinc/55/95/84/570559584.db2.gz TXMCRKPMEPFDJX-UHFFFAOYSA-N 1 0 368.525 3.600 50 0 FHAARO Clc1ccc(N2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)nc1 ZINC000011820839 570595609 /nfs/dbraw/zinc/59/56/09/570595609.db2.gz FROBBYKGNMRFFB-GOSISDBHSA-N 1 0 356.901 3.869 50 0 FHAARO Cc1ccccc1CN(CC(C)C)C(=O)c1ccc(C)c(OCC[NH3+])c1 ZINC000426538618 570614488 /nfs/dbraw/zinc/61/44/88/570614488.db2.gz RQFPWULFRWRANP-UHFFFAOYSA-N 1 0 354.494 3.939 50 0 FHAARO O=C(N[C@@H]1CCOC1)c1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000426571820 570616870 /nfs/dbraw/zinc/61/68/70/570616870.db2.gz SEWMRDXKSAMFCC-JOCHJYFZSA-N 1 0 364.489 3.858 50 0 FHAARO COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)c1 ZINC000078759371 570634371 /nfs/dbraw/zinc/63/43/71/570634371.db2.gz ICLQQLFOFXSMKR-MRXNPFEDSA-N 1 0 353.528 3.617 50 0 FHAARO COC(=O)c1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000584904414 570664228 /nfs/dbraw/zinc/66/42/28/570664228.db2.gz MUUBGNGAEVGIIP-LEWJYISDSA-N 1 0 356.510 3.702 50 0 FHAARO COCCCC1CC[NH+](Cc2c[nH]nc2-c2ccc(OC)cc2F)CC1 ZINC000011663941 570704728 /nfs/dbraw/zinc/70/47/28/570704728.db2.gz YFQVTTSDASIPPK-UHFFFAOYSA-N 1 0 361.461 3.863 50 0 FHAARO CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3=O)o1 ZINC000011763261 570706191 /nfs/dbraw/zinc/70/61/91/570706191.db2.gz NLTGLUBYSPFMIA-QFIPXVFZSA-N 1 0 370.468 3.996 50 0 FHAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC000011771597 570706789 /nfs/dbraw/zinc/70/67/89/570706789.db2.gz SKJVCXQRWPUOGQ-LJQANCHMSA-N 1 0 356.535 3.846 50 0 FHAARO CN(C(=O)CCc1ccsc1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011813525 570707198 /nfs/dbraw/zinc/70/71/98/570707198.db2.gz KLVOFXAVORFTCS-FQEVSTJZSA-N 1 0 368.546 3.771 50 0 FHAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@H](CNC(=O)c3cccs3)C2)cc1 ZINC000011842900 570709198 /nfs/dbraw/zinc/70/91/98/570709198.db2.gz CXVRGFLPFQCOMU-PSQUURQMSA-N 1 0 370.518 3.912 50 0 FHAARO C(=C/c1ccccc1)\C[N@@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000011936206 570712585 /nfs/dbraw/zinc/71/25/85/570712585.db2.gz USQLDDMZGZNFEJ-QPJJXVBHSA-N 1 0 359.429 3.877 50 0 FHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C2CCCC2)C1 ZINC000011958587 570713609 /nfs/dbraw/zinc/71/36/09/570713609.db2.gz ZRMXNCDUEQLSBS-SFHVURJKSA-N 1 0 358.526 3.598 50 0 FHAARO O=C(/C=C/c1ccco1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012020230 570713913 /nfs/dbraw/zinc/71/39/13/570713913.db2.gz JRJBAMMEBORNDY-ZUTVHTERSA-N 1 0 364.489 3.850 50 0 FHAARO O=C(N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)c1ccc(F)cc1Cl ZINC000012020455 570714078 /nfs/dbraw/zinc/71/40/78/570714078.db2.gz XZUCHPAUQCAKQX-KRWDZBQOSA-N 1 0 372.871 3.841 50 0 FHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3OC)C2)cc1 ZINC000012003849 570714109 /nfs/dbraw/zinc/71/41/09/570714109.db2.gz BKLJGBCHCNDWGI-GOSISDBHSA-N 1 0 367.445 3.577 50 0 FHAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1cccs1 ZINC000012056138 570715685 /nfs/dbraw/zinc/71/56/85/570715685.db2.gz YANRHOGZETZMFY-INIZCTEOSA-N 1 0 360.498 3.914 50 0 FHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccc(Cl)c2)C1 ZINC000012057937 570716011 /nfs/dbraw/zinc/71/60/11/570716011.db2.gz OWZMEYWVMDILHW-HNNXBMFYSA-N 1 0 361.873 3.516 50 0 FHAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccccc2)N1CCCc1ccccc1 ZINC000012098748 570718248 /nfs/dbraw/zinc/71/82/48/570718248.db2.gz MHHYMEOMVVNCIL-NRFANRHFSA-N 1 0 366.505 3.669 50 0 FHAARO Cc1c(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cnn1C ZINC000012196169 570726245 /nfs/dbraw/zinc/72/62/45/570726245.db2.gz VGSRVIJKAMFPQT-GOSISDBHSA-N 1 0 355.482 3.611 50 0 FHAARO OCC[N@H+](Cc1nc(-c2ccccc2)no1)CC12CC3CC(CC(C3)C1)C2 ZINC000012199289 570726887 /nfs/dbraw/zinc/72/68/87/570726887.db2.gz HBLASUFMXVYJEU-UHFFFAOYSA-N 1 0 367.493 3.747 50 0 FHAARO COc1ccc(CN2CC[N@H+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CCC2=O)cc1 ZINC000012217534 570727970 /nfs/dbraw/zinc/72/79/70/570727970.db2.gz CCCLPZLCSWTKJC-FPOVZHCZSA-N 1 0 368.521 3.722 50 0 FHAARO CCc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)on1 ZINC000012297668 570732850 /nfs/dbraw/zinc/73/28/50/570732850.db2.gz IUSZSQNAHPEDQL-OAQYLSRUSA-N 1 0 371.456 3.504 50 0 FHAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000012304993 570734375 /nfs/dbraw/zinc/73/43/75/570734375.db2.gz XRZHHMUUAJBMBG-SFHVURJKSA-N 1 0 353.466 3.591 50 0 FHAARO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3=O)n1 ZINC000012307422 570735304 /nfs/dbraw/zinc/73/53/04/570735304.db2.gz YBTHJLJHBYXPIZ-JOCHJYFZSA-N 1 0 367.468 3.544 50 0 FHAARO CCn1ccnc1CN(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012317577 570736150 /nfs/dbraw/zinc/73/61/50/570736150.db2.gz HODIZAQZJBNWDG-IBGZPJMESA-N 1 0 374.960 3.943 50 0 FHAARO COc1ccc(-n2cc(C[NH2+]CCCO)c(-c3ccccc3Cl)n2)cc1 ZINC000012373503 570739996 /nfs/dbraw/zinc/73/99/96/570739996.db2.gz SUFLRRIDBCCRJT-UHFFFAOYSA-N 1 0 371.868 3.673 50 0 FHAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012386383 570741290 /nfs/dbraw/zinc/74/12/90/570741290.db2.gz ZLVHMKRHIWVURN-UHFFFAOYSA-N 1 0 372.509 3.717 50 0 FHAARO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1)NCc1ccccc1F ZINC000012386833 570741331 /nfs/dbraw/zinc/74/13/31/570741331.db2.gz XZYSWGNEUXGSOH-QGZVFWFLSA-N 1 0 370.468 3.840 50 0 FHAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 ZINC000012434679 570745215 /nfs/dbraw/zinc/74/52/15/570745215.db2.gz VRKYHLGASHZWRQ-IBGZPJMESA-N 1 0 371.912 3.791 50 0 FHAARO CN(C)c1ccc(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000012449261 570747001 /nfs/dbraw/zinc/74/70/01/570747001.db2.gz MGPLITYXIGQNCC-NRFANRHFSA-N 1 0 365.521 3.580 50 0 FHAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1)N1CCCC1 ZINC000012457219 570747079 /nfs/dbraw/zinc/74/70/79/570747079.db2.gz HMFFUIQGHRDFOM-SFHVURJKSA-N 1 0 351.494 3.849 50 0 FHAARO COc1cc(C[NH2+]Cc2ccc(NC(C)=O)cc2)ccc1OC(F)F ZINC000017316523 570749273 /nfs/dbraw/zinc/74/92/73/570749273.db2.gz STBSUEXXIXSXQN-UHFFFAOYSA-N 1 0 350.365 3.545 50 0 FHAARO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(C)o4)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000012587408 570751865 /nfs/dbraw/zinc/75/18/65/570751865.db2.gz MOUJLSDDGSYNTB-JLMWRMLUSA-N 1 0 366.461 3.535 50 0 FHAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]12CC[N@H+](CC1CCCC1)C2 ZINC000012591937 570752558 /nfs/dbraw/zinc/75/25/58/570752558.db2.gz NWNQSISCFZCVHN-NRFANRHFSA-N 1 0 362.464 3.970 50 0 FHAARO COc1cc(C[NH2+][C@@H](C)c2cnc(-c3ccncc3)nc2C)ccc1F ZINC000012613263 570753369 /nfs/dbraw/zinc/75/33/69/570753369.db2.gz FELWPWFXYRDXAE-ZDUSSCGKSA-N 1 0 352.413 3.846 50 0 FHAARO COc1ccc([C@H](CNC(=O)Nc2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000013048861 570772891 /nfs/dbraw/zinc/77/28/91/570772891.db2.gz SYHYSLUUHAGHAC-FQEVSTJZSA-N 1 0 369.465 3.662 50 0 FHAARO O=C1CCCN1CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000013727592 570787576 /nfs/dbraw/zinc/78/75/76/570787576.db2.gz HJJAWJYFNPGMGD-UHFFFAOYSA-N 1 0 356.441 3.507 50 0 FHAARO COc1ccc(Cl)cc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000013755410 570789385 /nfs/dbraw/zinc/78/93/85/570789385.db2.gz ZRSRPVSEKJHSBU-UHFFFAOYSA-N 1 0 351.878 3.831 50 0 FHAARO CCc1ccc([C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2OC)N(C)C)cc1 ZINC000032735870 570790596 /nfs/dbraw/zinc/79/05/96/570790596.db2.gz GSQYEPVXLBLTDT-LJQANCHMSA-N 1 0 372.509 3.667 50 0 FHAARO COc1cccc([C@@H](CNc2ncnc3sccc32)[NH+]2CCCC2)c1 ZINC000014123929 570807213 /nfs/dbraw/zinc/80/72/13/570807213.db2.gz MEJATGJKAUKNLS-QGZVFWFLSA-N 1 0 354.479 3.949 50 0 FHAARO COc1cccc(CCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1OC ZINC000014141769 570808884 /nfs/dbraw/zinc/80/88/84/570808884.db2.gz QSBKOQFROXTMTD-UHFFFAOYSA-N 1 0 368.477 3.871 50 0 FHAARO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](CCc2ccccc2)CC1 ZINC000014159826 570809501 /nfs/dbraw/zinc/80/95/01/570809501.db2.gz VQGATWWQEZYOQA-UHFFFAOYSA-N 1 0 351.446 3.595 50 0 FHAARO CC(C)CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](CC(C)C)CC2)C1=O ZINC000014740475 570822996 /nfs/dbraw/zinc/82/29/96/570822996.db2.gz YUNNUWGAEGUFIW-UHFFFAOYSA-N 1 0 371.525 3.597 50 0 FHAARO COCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000014948482 570826560 /nfs/dbraw/zinc/82/65/60/570826560.db2.gz SLASAGGDTKYIOD-UHFFFAOYSA-N 1 0 369.440 3.765 50 0 FHAARO O=C(CCC1CC[NH+](Cc2cc3ccccc3o2)CC1)NC[C@@H]1CCCO1 ZINC000014970773 570827436 /nfs/dbraw/zinc/82/74/36/570827436.db2.gz KNWWQCQBTQIVKH-IBGZPJMESA-N 1 0 370.493 3.720 50 0 FHAARO CCN(Cc1nccs1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000015067165 570830904 /nfs/dbraw/zinc/83/09/04/570830904.db2.gz XMYIYEDTLRYFED-IBGZPJMESA-N 1 0 373.566 3.928 50 0 FHAARO CCOc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)cc1CO ZINC000015075388 570831906 /nfs/dbraw/zinc/83/19/06/570831906.db2.gz XJWBYJYGRDTMLR-FQEVSTJZSA-N 1 0 358.457 3.793 50 0 FHAARO O=C(CCC1CC[NH+](Cc2cccnc2)CC1)N1CCc2ccccc2C1 ZINC000015073901 570831914 /nfs/dbraw/zinc/83/19/14/570831914.db2.gz SXNUWTMYXNNFQX-UHFFFAOYSA-N 1 0 363.505 3.659 50 0 FHAARO COc1ccc2c(C[N@H+](C)CCOc3ccc(C)cc3)cc(=O)oc2c1 ZINC000015102642 570833728 /nfs/dbraw/zinc/83/37/28/570833728.db2.gz BQIZCIQDQPJXMI-UHFFFAOYSA-N 1 0 353.418 3.621 50 0 FHAARO COc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCC(C)CC2)cc1 ZINC000015860276 570846567 /nfs/dbraw/zinc/84/65/67/570846567.db2.gz BKKYIHJCYPTFAF-IBGZPJMESA-N 1 0 356.466 3.800 50 0 FHAARO Clc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1 ZINC000016523824 570857608 /nfs/dbraw/zinc/85/76/08/570857608.db2.gz DWVBTILEZNEMAE-UHFFFAOYSA-N 1 0 359.886 3.588 50 0 FHAARO CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](CC)CC1 ZINC000016602597 570858588 /nfs/dbraw/zinc/85/85/88/570858588.db2.gz GJFQGXKRVIUJSM-HNNXBMFYSA-N 1 0 359.297 3.751 50 0 FHAARO C[C@H]1C(=O)N(C[N@H+](C2CC2)C2CCCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000032923203 570862671 /nfs/dbraw/zinc/86/26/71/570862671.db2.gz JOYRTJKDGIHDSE-ZDUSSCGKSA-N 1 0 361.873 3.862 50 0 FHAARO CCOc1ccc(S(=O)(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000017076662 570868280 /nfs/dbraw/zinc/86/82/80/570868280.db2.gz JGLLOZCKSCBQQK-UHFFFAOYSA-N 1 0 374.506 3.872 50 0 FHAARO Cc1c(C[NH2+][C@@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)cnn1C ZINC000019223529 570882548 /nfs/dbraw/zinc/88/25/48/570882548.db2.gz WTULLOBFZWSYCY-JOCHJYFZSA-N 1 0 354.542 3.681 50 0 FHAARO c1ccc(COc2cccc(C[N@@H+]3CCC[C@H](N4CCOCC4)C3)c2)cc1 ZINC000019228066 570882928 /nfs/dbraw/zinc/88/29/28/570882928.db2.gz NWLGDFCTJBQHGK-QFIPXVFZSA-N 1 0 366.505 3.562 50 0 FHAARO CCCc1ncc(C[NH2+][C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cn1 ZINC000019225371 570883108 /nfs/dbraw/zinc/88/31/08/570883108.db2.gz ZUXMLVPDUQGOPO-IBGZPJMESA-N 1 0 358.917 3.837 50 0 FHAARO OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1C1CCCC1 ZINC000019299784 570885104 /nfs/dbraw/zinc/88/51/04/570885104.db2.gz QHHPXOHLNICYBF-LJQANCHMSA-N 1 0 371.550 3.621 50 0 FHAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+]([C@H]2CCSC2)CC1 ZINC000019535028 570892117 /nfs/dbraw/zinc/89/21/17/570892117.db2.gz JVSRYIVWHGKDBT-KRWDZBQOSA-N 1 0 363.523 3.606 50 0 FHAARO Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CC[N@H+](C)[C@H]([C@H](C)O)C1 ZINC000107163002 570894947 /nfs/dbraw/zinc/89/49/47/570894947.db2.gz GTAQULXVGFJRLU-UUOWRZLLSA-N 1 0 362.517 3.972 50 0 FHAARO Cc1cc(C)n(-c2cccc(CN(C)C(=O)CC[N@H+]3CCC[C@H](C)C3)c2)n1 ZINC000019732301 570901178 /nfs/dbraw/zinc/90/11/78/570901178.db2.gz ZBCZBDMSSNDWIP-KRWDZBQOSA-N 1 0 368.525 3.570 50 0 FHAARO CC(C)(C)C1CCC(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000019790767 570902654 /nfs/dbraw/zinc/90/26/54/570902654.db2.gz QYJGPZLCPXIMID-IRQNMHNUSA-N 1 0 374.569 3.791 50 0 FHAARO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H](CO)CC[C@H]1C ZINC000108369572 570906195 /nfs/dbraw/zinc/90/61/95/570906195.db2.gz SMNCJFKVMSDQAT-KDOFPFPSSA-N 1 0 361.917 3.794 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(C(=O)OC)cc1)[NH2+]CC2 ZINC000020506960 570919099 /nfs/dbraw/zinc/91/90/99/570919099.db2.gz AQYLPVYLPZDSNJ-FQEVSTJZSA-N 1 0 355.434 3.506 50 0 FHAARO Cc1ncc2c(c1-c1noc(C3(c4ccc(Cl)cc4)CC3)n1)CC[NH2+]C2 ZINC000020534690 570919110 /nfs/dbraw/zinc/91/91/10/570919110.db2.gz IHRVGYHCGOQOKK-UHFFFAOYSA-N 1 0 366.852 3.819 50 0 FHAARO CC[NH+]1CCC(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000047979781 570932827 /nfs/dbraw/zinc/93/28/27/570932827.db2.gz UFNVCLKIJMZPRZ-HNNXBMFYSA-N 1 0 353.919 3.660 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000021911910 570935865 /nfs/dbraw/zinc/93/58/65/570935865.db2.gz CCSXLIZZCOTWLH-LJQANCHMSA-N 1 0 358.869 3.916 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000048246875 570938270 /nfs/dbraw/zinc/93/82/70/570938270.db2.gz LTXRHYVSJPSIFY-RHSMWYFYSA-N 1 0 365.518 3.784 50 0 FHAARO COc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cn1 ZINC000048230735 570938592 /nfs/dbraw/zinc/93/85/92/570938592.db2.gz XUWQGVAEOVSKNH-INIZCTEOSA-N 1 0 374.510 3.746 50 0 FHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000022095674 570939839 /nfs/dbraw/zinc/93/98/39/570939839.db2.gz ALRDILRBXOZIIS-IBGZPJMESA-N 1 0 356.445 3.614 50 0 FHAARO CCC(CC)[C@H](CNC(=O)c1ccc2ccccc2c1)N1CCOCC1 ZINC000022755262 570949227 /nfs/dbraw/zinc/94/92/27/570949227.db2.gz GCWWVTBKVKEONY-NRFANRHFSA-N 1 0 354.494 3.707 50 0 FHAARO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000022786278 570950207 /nfs/dbraw/zinc/95/02/07/570950207.db2.gz XWOPOFKCBCKEGE-IBGZPJMESA-N 1 0 351.494 3.621 50 0 FHAARO c1coc(-c2nnc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)o2)c1 ZINC000022803326 570950250 /nfs/dbraw/zinc/95/02/50/570950250.db2.gz UDFZEKHSCNEHPR-UHFFFAOYSA-N 1 0 374.444 3.801 50 0 FHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)o1 ZINC000022851193 570951226 /nfs/dbraw/zinc/95/12/26/570951226.db2.gz GRXLHLPILQGVCQ-HXUWFJFHSA-N 1 0 357.473 3.514 50 0 FHAARO CCSc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000047858671 570954655 /nfs/dbraw/zinc/95/46/55/570954655.db2.gz JIHLQBGADKZEHN-UHFFFAOYSA-N 1 0 370.522 3.980 50 0 FHAARO Cc1ccc2c(CN3CC[NH+](Cc4ccccc4C)CC3)cc(=O)oc2c1 ZINC000023095988 570956041 /nfs/dbraw/zinc/95/60/41/570956041.db2.gz MFQPZBJCPXTABN-UHFFFAOYSA-N 1 0 362.473 3.728 50 0 FHAARO Cc1cccc(C[NH+]2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)c1 ZINC000023083861 570956200 /nfs/dbraw/zinc/95/62/00/570956200.db2.gz PXBIYRMOUUTJPV-UHFFFAOYSA-N 1 0 362.473 3.728 50 0 FHAARO CC(C)c1nn(CN2CC[NH+](Cc3ccccc3)CC2)c(=S)n1C1CC1 ZINC000023249327 570960932 /nfs/dbraw/zinc/96/09/32/570960932.db2.gz KJDPIVDWUCNKGJ-UHFFFAOYSA-N 1 0 371.554 3.648 50 0 FHAARO COc1ccccc1/C=C/CN1CC[N@H+](CC2CCCCC2)[C@@H](CCO)C1 ZINC000023374852 570962759 /nfs/dbraw/zinc/96/27/59/570962759.db2.gz VWJZKULPPSBJMF-NDEHPHGNSA-N 1 0 372.553 3.657 50 0 FHAARO COc1ccc(NC(C)=O)cc1NC(=O)C[N@H+](Cc1ccccc1)C(C)C ZINC000010931323 570971800 /nfs/dbraw/zinc/97/18/00/570971800.db2.gz DIMJCKFMWXAUOV-UHFFFAOYSA-N 1 0 369.465 3.503 50 0 FHAARO CC1CC[NH+]([C@H](CNC(=O)c2[nH]nc3ccccc32)c2cccs2)CC1 ZINC000025139570 570991416 /nfs/dbraw/zinc/99/14/16/570991416.db2.gz JZWTXJIDBXMJMB-QGZVFWFLSA-N 1 0 368.506 3.827 50 0 FHAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@@H](C(C)C)[NH+](C)C)cc12 ZINC000025451467 570995962 /nfs/dbraw/zinc/99/59/62/570995962.db2.gz CLDMWJAQNGWRDH-KRWDZBQOSA-N 1 0 370.522 3.711 50 0 FHAARO Cc1ccc(OCCC[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1C ZINC000025948255 571001384 /nfs/dbraw/zinc/00/13/84/571001384.db2.gz LUFANOUQJMGLFG-UHFFFAOYSA-N 1 0 352.478 3.836 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccsc2)cc1 ZINC000026311253 571004801 /nfs/dbraw/zinc/00/48/01/571004801.db2.gz OKTKGLSVNYCZHW-AWEZNQCLSA-N 1 0 352.525 3.629 50 0 FHAARO Cc1cc2nc(NC[C@H](c3cccs3)[NH+](C)C)c3ccccc3n2n1 ZINC000026761582 571007790 /nfs/dbraw/zinc/00/77/90/571007790.db2.gz FOXFUDPOWSDPGL-MRXNPFEDSA-N 1 0 351.479 3.967 50 0 FHAARO COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027581500 571014704 /nfs/dbraw/zinc/01/47/04/571014704.db2.gz CINMGHWPKQRDBR-LJQANCHMSA-N 1 0 358.869 3.916 50 0 FHAARO COc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027581653 571014722 /nfs/dbraw/zinc/01/47/22/571014722.db2.gz CSJZWYQGYVNZRN-FQEVSTJZSA-N 1 0 352.478 3.961 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2ccccc2C)[NH+]2CCCCC2)cc1 ZINC000027667724 571018525 /nfs/dbraw/zinc/01/85/25/571018525.db2.gz KSNUVMJVAJBFOS-OAQYLSRUSA-N 1 0 352.478 3.961 50 0 FHAARO C[C@@H](NC(=O)Nc1cnn(-c2ccccc2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000225389689 571032571 /nfs/dbraw/zinc/03/25/71/571032571.db2.gz GGIJBLVRKNCPIV-UZLBHIALSA-N 1 0 363.465 3.685 50 0 FHAARO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000028727468 571034250 /nfs/dbraw/zinc/03/42/50/571034250.db2.gz HJZRZNPNQQBYEM-LBPRGKRZSA-N 1 0 372.412 3.546 50 0 FHAARO O=C(C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000072284964 571039556 /nfs/dbraw/zinc/03/95/56/571039556.db2.gz IGPFEVQMGNKOIX-QHCPKHFHSA-N 1 0 363.505 3.875 50 0 FHAARO CC[C@@H]1CN(CCSc2ccccc2)[C@@H](CC)C[N@@H+]1CC(C)(C)O ZINC000225572093 571046164 /nfs/dbraw/zinc/04/61/64/571046164.db2.gz RUYPNIUJCUDEDR-ZWKOTPCHSA-N 1 0 350.572 3.724 50 0 FHAARO COc1ccc(CC[N@H+](C)Cc2cnn(-c3ccccc3)c2)cc1OC ZINC000030537583 571047698 /nfs/dbraw/zinc/04/76/98/571047698.db2.gz PYDQLVUTSVSGNO-UHFFFAOYSA-N 1 0 351.450 3.564 50 0 FHAARO COc1ccc(OC)c(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)c1 ZINC000030629570 571048387 /nfs/dbraw/zinc/04/83/87/571048387.db2.gz XMUULJPXDDXAHF-UHFFFAOYSA-N 1 0 364.445 3.968 50 0 FHAARO COc1ccc(OC)c(C[NH2+]Cc2cccc(OCc3ccccn3)c2)c1 ZINC000030629565 571048439 /nfs/dbraw/zinc/04/84/39/571048439.db2.gz IZNSVFHSPAZXJB-UHFFFAOYSA-N 1 0 364.445 3.968 50 0 FHAARO C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)n1cnc2ccccc21 ZINC000030649157 571048875 /nfs/dbraw/zinc/04/88/75/571048875.db2.gz TZCWWPODKIKJIG-QGZVFWFLSA-N 1 0 362.477 3.510 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000030921345 571052656 /nfs/dbraw/zinc/05/26/56/571052656.db2.gz HNLJQNODBFXMSU-HLLBOEOZSA-N 1 0 355.438 3.528 50 0 FHAARO C[NH+](C)CCn1cc(NCc2c(OC(F)F)ccc3ccccc32)cn1 ZINC000083851158 571053356 /nfs/dbraw/zinc/05/33/56/571053356.db2.gz AVUNLJNZCNRZLA-UHFFFAOYSA-N 1 0 360.408 3.811 50 0 FHAARO CC1(C)CC(NCc2c(F)ccc(C3OCCO3)c2Cl)CC(C)(C)[NH2+]1 ZINC000225660727 571053641 /nfs/dbraw/zinc/05/36/41/571053641.db2.gz CFGRXOGGJUQGFG-UHFFFAOYSA-N 1 0 370.896 3.923 50 0 FHAARO Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000032541026 571058170 /nfs/dbraw/zinc/05/81/70/571058170.db2.gz HJQRCELSZATZRH-HXUWFJFHSA-N 1 0 368.521 3.693 50 0 FHAARO COc1ccc2c(C[N@H+](C)CCOc3cccc(Cl)c3)cc(=O)oc2c1 ZINC000012756326 571077786 /nfs/dbraw/zinc/07/77/86/571077786.db2.gz NPPDJWLUMNKKFT-UHFFFAOYSA-N 1 0 373.836 3.966 50 0 FHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(OC(F)F)cc1 ZINC000012755309 571077820 /nfs/dbraw/zinc/07/78/20/571077820.db2.gz ONPJEYFSISBJOW-GOSISDBHSA-N 1 0 360.404 3.855 50 0 FHAARO COc1ccccc1CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000040107141 571078285 /nfs/dbraw/zinc/07/82/85/571078285.db2.gz OIQDRHMAHCTPNW-GOSISDBHSA-N 1 0 366.505 3.929 50 0 FHAARO CC(C)c1ccc([C@@H](CNC(=O)c2csnn2)[NH+]2CCCCC2)cc1 ZINC000035673450 571078559 /nfs/dbraw/zinc/07/85/59/571078559.db2.gz HFMXOMIKJGXELC-GOSISDBHSA-N 1 0 358.511 3.619 50 0 FHAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc[nH]c1=S ZINC000040112345 571079385 /nfs/dbraw/zinc/07/93/85/571079385.db2.gz WZLUIFKYAOVPAA-HNNXBMFYSA-N 1 0 355.507 3.675 50 0 FHAARO O=C(NC1CC1)C1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000084522638 571088165 /nfs/dbraw/zinc/08/81/65/571088165.db2.gz VXRYCAOXCGDDNR-OAQYLSRUSA-N 1 0 352.453 3.906 50 0 FHAARO COc1ccc(COC[C@@H](O)C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)cc1 ZINC000040160719 571089806 /nfs/dbraw/zinc/08/98/06/571089806.db2.gz WDTSVCNVMNPGFD-AVRDEDQJSA-N 1 0 369.505 3.873 50 0 FHAARO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)Nc1ccnn1C1CCCC1 ZINC000069599792 571100213 /nfs/dbraw/zinc/10/02/13/571100213.db2.gz LUSZZECBRANNKG-GOSISDBHSA-N 1 0 352.482 3.816 50 0 FHAARO Cc1cnc(CC[N@@H+]2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)c(C)c1 ZINC000685941075 571100548 /nfs/dbraw/zinc/10/05/48/571100548.db2.gz QAEVEXXYUYOYDL-UWJYYQICSA-N 1 0 352.482 3.555 50 0 FHAARO O=C(C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1)N1CCCCC1 ZINC000012786783 571101057 /nfs/dbraw/zinc/10/10/57/571101057.db2.gz JTALUQOQDNZMRV-UHFFFAOYSA-N 1 0 353.466 3.566 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1noc2c1CSc1ccccc1-2 ZINC000015674021 571101948 /nfs/dbraw/zinc/10/19/48/571101948.db2.gz NQWHJLJHIGSNAW-ZDUSSCGKSA-N 1 0 357.479 3.552 50 0 FHAARO CCC[C@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc(CC)cc3)n[nH]2)CC1 ZINC000015679309 571103331 /nfs/dbraw/zinc/10/33/31/571103331.db2.gz QGPQBTMCNPWSHE-INIZCTEOSA-N 1 0 354.498 3.586 50 0 FHAARO CC(C)COc1ccccc1CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000072313447 571107130 /nfs/dbraw/zinc/10/71/30/571107130.db2.gz FWVREBZTPJUEIR-NHCUHLMSSA-N 1 0 373.585 3.712 50 0 FHAARO CC(C)[C@H]1C[C@@](CC(=O)NCCC[NH+](C)C)(Cc2ccccc2)CCO1 ZINC000009486021 571111141 /nfs/dbraw/zinc/11/11/41/571111141.db2.gz KYHWDEMTSLKBIC-IRLDBZIGSA-N 1 0 360.542 3.509 50 0 FHAARO CC[N@H+](CCSc1ccc(C)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000244594139 571113729 /nfs/dbraw/zinc/11/37/29/571113729.db2.gz DHDCZPHIQVDWRR-UHFFFAOYSA-N 1 0 359.520 3.679 50 0 FHAARO Cc1ccc(NC(=O)CC[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(C)c1 ZINC000244716214 571115084 /nfs/dbraw/zinc/11/50/84/571115084.db2.gz LKQMHEODPDJGSY-OAQYLSRUSA-N 1 0 351.494 3.621 50 0 FHAARO Cc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc3nonc3c2)cc1Cl ZINC000244795075 571117083 /nfs/dbraw/zinc/11/70/83/571117083.db2.gz QYZJIFHSANXQMX-UHFFFAOYSA-N 1 0 358.829 3.645 50 0 FHAARO OCCCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000247763348 571125898 /nfs/dbraw/zinc/12/58/98/571125898.db2.gz IYRKJSJZGFNKJF-UHFFFAOYSA-N 1 0 370.884 3.509 50 0 FHAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3nc(C(C)C)no3)c(C)c2)CC1 ZINC000058178153 571127391 /nfs/dbraw/zinc/12/73/91/571127391.db2.gz NIVRIXGJLYLONO-INIZCTEOSA-N 1 0 357.502 3.816 50 0 FHAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]CCCOc3ccccn3)o2)cc1 ZINC000248381326 571129253 /nfs/dbraw/zinc/12/92/53/571129253.db2.gz STUUBGCLXHLDKO-MRXNPFEDSA-N 1 0 352.434 3.954 50 0 FHAARO c1coc(-c2nnc(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)o2)c1 ZINC000012868066 571130894 /nfs/dbraw/zinc/13/08/94/571130894.db2.gz FCLISXPUUQZHOL-OAHLLOKOSA-N 1 0 367.405 3.828 50 0 FHAARO Cc1cc2c(cc1C)CN(c1cccc(C(=O)N3CCC[C@@H](C[NH3+])C3)c1)C2 ZINC000252486611 571132662 /nfs/dbraw/zinc/13/26/62/571132662.db2.gz HMMUYIOWPKTTSP-SFHVURJKSA-N 1 0 363.505 3.635 50 0 FHAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1cc(C2CC2)on1 ZINC000076649866 571139402 /nfs/dbraw/zinc/13/94/02/571139402.db2.gz VSMADGCCOUIGJA-KXBFYZLASA-N 1 0 353.466 3.535 50 0 FHAARO O=C1CCCN1CCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000253616745 571139457 /nfs/dbraw/zinc/13/94/57/571139457.db2.gz MBXYMIHRHWDOFL-UHFFFAOYSA-N 1 0 361.489 3.792 50 0 FHAARO COc1ccc2oc(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)c(C)c2c1 ZINC000060390837 571139670 /nfs/dbraw/zinc/13/96/70/571139670.db2.gz SHOBNRLELMICBU-GOSISDBHSA-N 1 0 370.424 3.922 50 0 FHAARO CC(C)=CCC[C@@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@]1(C)O ZINC000000969385 571140940 /nfs/dbraw/zinc/14/09/40/571140940.db2.gz ZRAJZIGAXJIFRY-WOJBJXKFSA-N 1 0 352.519 3.961 50 0 FHAARO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000078499834 571141419 /nfs/dbraw/zinc/14/14/19/571141419.db2.gz ILBIJGHFEOWQAH-INIZCTEOSA-N 1 0 363.889 3.630 50 0 FHAARO C[NH+](C)C1(CNC(=O)COc2ccc3ccccc3c2)CCCCCC1 ZINC000012887090 571142135 /nfs/dbraw/zinc/14/21/35/571142135.db2.gz SELQYILZCHNWLK-UHFFFAOYSA-N 1 0 354.494 3.989 50 0 FHAARO Cc1cccc(C2(C(=O)N3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)CCCC2)c1 ZINC000333230985 571143091 /nfs/dbraw/zinc/14/30/91/571143091.db2.gz BYLAGLYYSZYDIX-NHCUHLMSSA-N 1 0 370.537 3.552 50 0 FHAARO COc1cc2c(cc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1)O[C@@H](C)C2 ZINC000025355198 571144749 /nfs/dbraw/zinc/14/47/49/571144749.db2.gz XMPLALCPPFBONS-QFBILLFUSA-N 1 0 370.493 3.928 50 0 FHAARO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2C(C)C)cc1OC ZINC000012926351 571145961 /nfs/dbraw/zinc/14/59/61/571145961.db2.gz YQJZIUABXLRYRG-SFHVURJKSA-N 1 0 373.493 3.699 50 0 FHAARO COCCNC(=O)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669590 571147452 /nfs/dbraw/zinc/14/74/52/571147452.db2.gz KHOMTMIIGQZDQS-FPOVZHCZSA-N 1 0 370.468 3.542 50 0 FHAARO Cc1cccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000012936141 571150653 /nfs/dbraw/zinc/15/06/53/571150653.db2.gz UGKSKXUPQNTBNA-UHFFFAOYSA-N 1 0 351.446 3.861 50 0 FHAARO CC[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)CC1 ZINC000067886391 571151203 /nfs/dbraw/zinc/15/12/03/571151203.db2.gz RNRWQDIAAZQUMO-UHFFFAOYSA-N 1 0 353.388 3.806 50 0 FHAARO CC(C)C[C@H](Nc1nc(-c2cccnc2)nc2c1CC[NH2+]C2)c1cccnc1 ZINC000067894241 571151443 /nfs/dbraw/zinc/15/14/43/571151443.db2.gz WVAMSFOYNPNKSX-IBGZPJMESA-N 1 0 374.492 3.779 50 0 FHAARO COc1ccccc1[C@@H](C)[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067954532 571152372 /nfs/dbraw/zinc/15/23/72/571152372.db2.gz DZXZNGNVZWQLPJ-QGZVFWFLSA-N 1 0 352.478 3.993 50 0 FHAARO [NH3+]C[C@@H]1Cc2cc(F)cc(-c3cc(C(F)(F)F)cc4[nH]cnc43)c2O1 ZINC000067955927 571152423 /nfs/dbraw/zinc/15/24/23/571152423.db2.gz SUIHCYIIIRFTGX-NSHDSACASA-N 1 0 351.303 3.650 50 0 FHAARO O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1)NCc1cccs1 ZINC000075107791 571155524 /nfs/dbraw/zinc/15/55/24/571155524.db2.gz XWEQHUNSEYXIGS-QUCCMNQESA-N 1 0 372.534 3.733 50 0 FHAARO C[C@@H]1C[N@@H+](CCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000075110080 571156084 /nfs/dbraw/zinc/15/60/84/571156084.db2.gz XTLCTTFSOAVKJS-OKILXGFUSA-N 1 0 373.419 3.716 50 0 FHAARO Cc1[nH+]c(N)nc(N)c1CCCc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000075252297 571158329 /nfs/dbraw/zinc/15/83/29/571158329.db2.gz IJRBAZOWYLWIOG-UHFFFAOYSA-N 1 0 360.330 3.779 50 0 FHAARO CC(C)NC(=O)[C@H](C)N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000071315335 571160656 /nfs/dbraw/zinc/16/06/56/571160656.db2.gz HQNOBMWXNCOGLA-HNNXBMFYSA-N 1 0 363.461 3.766 50 0 FHAARO Cc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c(F)c1F ZINC000071385669 571160971 /nfs/dbraw/zinc/16/09/71/571160971.db2.gz MYLISWMIVQRBQK-QGZVFWFLSA-N 1 0 350.453 3.856 50 0 FHAARO CC(C)[N@H+](C)CCC(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000071415519 571161226 /nfs/dbraw/zinc/16/12/26/571161226.db2.gz BUYUQNNJLGEWKR-QGZVFWFLSA-N 1 0 352.469 3.866 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2ccncc2F)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071439383 571161596 /nfs/dbraw/zinc/16/15/96/571161596.db2.gz NJXOQDZWAQVUPJ-HXUWFJFHSA-N 1 0 373.447 3.733 50 0 FHAARO [NH3+]C1(C(=O)N2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)CCC1 ZINC000071639664 571163310 /nfs/dbraw/zinc/16/33/10/571163310.db2.gz YJJNDMATAWGXNZ-HNNXBMFYSA-N 1 0 354.416 3.758 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)Cc2cccnc2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071681826 571163343 /nfs/dbraw/zinc/16/33/43/571163343.db2.gz ZVYCTQCROGTOFO-NRFANRHFSA-N 1 0 369.484 3.522 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2ccncc2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071749200 571164590 /nfs/dbraw/zinc/16/45/90/571164590.db2.gz PJAPFDSMAOMHOC-FQEVSTJZSA-N 1 0 355.457 3.593 50 0 FHAARO CCCC[NH+]1CCN(Cc2nc(-c3cc(OC)ccc3F)oc2C)CC1 ZINC000071752462 571165056 /nfs/dbraw/zinc/16/50/56/571165056.db2.gz CWWRFLFRYUJEMY-UHFFFAOYSA-N 1 0 361.461 3.715 50 0 FHAARO CCc1nccc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 ZINC000071762366 571165874 /nfs/dbraw/zinc/16/58/74/571165874.db2.gz RSRCDGIGSJQYHR-NRFANRHFSA-N 1 0 370.516 3.911 50 0 FHAARO CC(C)[C@H]1CN(C(=O)NCc2ccco2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071774660 571166555 /nfs/dbraw/zinc/16/65/55/571166555.db2.gz HRVDUOJPVVGGKZ-HXUWFJFHSA-N 1 0 373.472 3.861 50 0 FHAARO OC[C@]1(O)CCC[N@H+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000072120881 571170109 /nfs/dbraw/zinc/17/01/09/571170109.db2.gz CVENJRORGGSIBY-SFHVURJKSA-N 1 0 370.276 3.963 50 0 FHAARO Cc1cccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cnc(N(C)C)s4)C3)nc21 ZINC000072125568 571170316 /nfs/dbraw/zinc/17/03/16/571170316.db2.gz QEKITBDCPHQYCC-CQSZACIVSA-N 1 0 355.511 3.773 50 0 FHAARO Cc1nccn1C[C@H]1CCC[N@H+](Cc2c(C)cc(C)cc2-n2cccn2)C1 ZINC000072138833 571171618 /nfs/dbraw/zinc/17/16/18/571171618.db2.gz QICXVGHMNSPHQG-FQEVSTJZSA-N 1 0 363.509 3.906 50 0 FHAARO C[NH+]1CCC(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)CC1 ZINC000072139266 571171632 /nfs/dbraw/zinc/17/16/32/571171632.db2.gz XGMCNYUZVMWGBZ-UHFFFAOYSA-N 1 0 358.869 3.743 50 0 FHAARO COc1cccc(OC[C@@H]2CCC[N@H+](Cc3cnn(C)c3C3CC3)C2)c1 ZINC000072154240 571174699 /nfs/dbraw/zinc/17/46/99/571174699.db2.gz XWQCUSHWXXVIOC-MRXNPFEDSA-N 1 0 355.482 3.597 50 0 FHAARO COc1ccccc1OC1CCN(Cc2[nH+]c(C)n3ccccc23)CC1 ZINC000072154303 571174776 /nfs/dbraw/zinc/17/47/76/571174776.db2.gz FDMZRFXAMWCYMG-UHFFFAOYSA-N 1 0 351.450 3.695 50 0 FHAARO Cn1ccnc1[C@@H](NC(=O)COc1cccc2ccccc21)c1ccccc1 ZINC000012530315 571174857 /nfs/dbraw/zinc/17/48/57/571174857.db2.gz KXETUONTIZQDQN-QFIPXVFZSA-N 1 0 371.440 3.858 50 0 FHAARO O=C(C[N@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1)NC1CC1 ZINC000072157767 571175432 /nfs/dbraw/zinc/17/54/32/571175432.db2.gz WHYTXRMTYPSTES-OAHLLOKOSA-N 1 0 354.416 3.629 50 0 FHAARO CC(C)[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)Nc1ccccc1 ZINC000118449306 571176042 /nfs/dbraw/zinc/17/60/42/571176042.db2.gz UGSIOUVMXMSYBZ-OAQYLSRUSA-N 1 0 353.510 3.750 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(-c2ccco2)n[nH]1 ZINC000012535824 571176121 /nfs/dbraw/zinc/17/61/21/571176121.db2.gz DHDKUGCWLAIFPT-UHFFFAOYSA-N 1 0 364.449 3.586 50 0 FHAARO CSc1ncc(C[N@@H+]2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)cn1 ZINC000072162959 571176195 /nfs/dbraw/zinc/17/61/95/571176195.db2.gz RFEIDMKRVIMAPZ-HNNXBMFYSA-N 1 0 353.495 3.763 50 0 FHAARO COc1cccc([C@@H]2CN(Cc3csc(C)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072164818 571176483 /nfs/dbraw/zinc/17/64/83/571176483.db2.gz DRGKURWKOCKNJW-PWRODBHTSA-N 1 0 369.534 3.522 50 0 FHAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000072172919 571177616 /nfs/dbraw/zinc/17/76/16/571177616.db2.gz AGFDABFFRKWZKW-NRFANRHFSA-N 1 0 365.521 3.872 50 0 FHAARO CC[NH+](CC)CCN(CC(C)C)C(=O)/C=C/c1cc(OC)cc(OC)c1 ZINC000040089852 571185526 /nfs/dbraw/zinc/18/55/26/571185526.db2.gz DPAVQLBGXOSIJK-MDZDMXLPSA-N 1 0 362.514 3.543 50 0 FHAARO Cc1sc2cc(C(=O)NCc3cccnc3)[nH]c2c1C[NH+]1CCCCC1 ZINC000075487435 571189001 /nfs/dbraw/zinc/18/90/01/571189001.db2.gz NUKQKQFHULADTP-UHFFFAOYSA-N 1 0 368.506 3.849 50 0 FHAARO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)CCc3ccccc3)C2)cn1 ZINC000072410464 571191660 /nfs/dbraw/zinc/19/16/60/571191660.db2.gz LNFNYLPVNPKFJQ-HXUWFJFHSA-N 1 0 351.494 3.562 50 0 FHAARO COCC1(c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)CCC1 ZINC000299757243 571192594 /nfs/dbraw/zinc/19/25/94/571192594.db2.gz JGEHOJZSNBFKOS-KSZLIROESA-N 1 0 353.466 3.831 50 0 FHAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@@H+]3CCNC(=O)CC3)cc2c1 ZINC000072419814 571192869 /nfs/dbraw/zinc/19/28/69/571192869.db2.gz GUKFYELDQMYKLW-UHFFFAOYSA-N 1 0 363.436 3.671 50 0 FHAARO Cc1ncsc1CCNC(=O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000299758809 571192880 /nfs/dbraw/zinc/19/28/80/571192880.db2.gz PTBMQOBEUHADMW-UHFFFAOYSA-N 1 0 357.523 3.800 50 0 FHAARO COc1ccc2cc(C[NH2+]C3CC3)c(N(C)Cc3csc(C)n3)nc2c1 ZINC000299759538 571193141 /nfs/dbraw/zinc/19/31/41/571193141.db2.gz OGVQVJGNZRGNMR-UHFFFAOYSA-N 1 0 368.506 3.897 50 0 FHAARO CN1CC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C[C@H]1c1ccccc1 ZINC000072421695 571193217 /nfs/dbraw/zinc/19/32/17/571193217.db2.gz CTVHJWOOGYPIAS-QFIPXVFZSA-N 1 0 352.522 3.879 50 0 FHAARO O=C(NCCc1ccccc1)[C@@H]1CC12CC[NH+](Cc1ccsc1)CC2 ZINC000299768396 571195166 /nfs/dbraw/zinc/19/51/66/571195166.db2.gz NCMGOVXQLXEWKV-IBGZPJMESA-N 1 0 354.519 3.709 50 0 FHAARO O=C(CCc1cccnc1)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299772519 571196292 /nfs/dbraw/zinc/19/62/92/571196292.db2.gz AKXKXADDAFWZCF-LJQANCHMSA-N 1 0 357.885 3.621 50 0 FHAARO Cc1sc2ncnc(N[C@@H]3CCC[N@H+](Cc4ccccn4)C3)c2c1C ZINC000072434365 571196334 /nfs/dbraw/zinc/19/63/34/571196334.db2.gz HHMNEUHBSVKVDX-MRXNPFEDSA-N 1 0 353.495 3.780 50 0 FHAARO O[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000072438531 571196781 /nfs/dbraw/zinc/19/67/81/571196781.db2.gz ZBWXUAMKJDMDCJ-HSZRJFAPSA-N 1 0 361.489 3.688 50 0 FHAARO CCc1ncc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cn1 ZINC000299779020 571197508 /nfs/dbraw/zinc/19/75/08/571197508.db2.gz RJTJUWCZMMPSQV-KSZLIROESA-N 1 0 361.449 3.782 50 0 FHAARO O=C(NCc1ccc(F)c(F)c1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299781816 571198218 /nfs/dbraw/zinc/19/82/18/571198218.db2.gz RUEZTIJUWZPXKA-DBVUQKKJSA-N 1 0 356.416 3.807 50 0 FHAARO O=C1CC[C@]2(CCC[N@@H+](CCCC(F)(F)F)C2)CN1Cc1ccccn1 ZINC000072470265 571198313 /nfs/dbraw/zinc/19/83/13/571198313.db2.gz CNYNIISHTQUKSG-SFHVURJKSA-N 1 0 369.431 3.629 50 0 FHAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc3c[nH]nc32)cc1 ZINC000299783046 571198727 /nfs/dbraw/zinc/19/87/27/571198727.db2.gz GQRXFHALCORMNS-IBGZPJMESA-N 1 0 363.465 3.994 50 0 FHAARO Cc1noc(C)c1CCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299785138 571199121 /nfs/dbraw/zinc/19/91/21/571199121.db2.gz QKJDOVUJUCIOTO-HBMCJLEFSA-N 1 0 367.493 3.566 50 0 FHAARO CN1C[C@]2(CCC[N@H+](Cc3cccc(Oc4ccccc4)c3)C2)OC1=O ZINC000072479580 571199908 /nfs/dbraw/zinc/19/99/08/571199908.db2.gz YPRYSJFQQLVCIR-NRFANRHFSA-N 1 0 352.434 3.896 50 0 FHAARO COc1ccc(Oc2cccc(C[N@@H+]3CC[C@]4(CN(C)C(=O)O4)C3)c2)cc1 ZINC000072481075 571200151 /nfs/dbraw/zinc/20/01/51/571200151.db2.gz ZWTUCLKQALSNNA-NRFANRHFSA-N 1 0 368.433 3.514 50 0 FHAARO CCc1nc(CCNC(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)cs1 ZINC000299790333 571200450 /nfs/dbraw/zinc/20/04/50/571200450.db2.gz OTKWKDHNCYVVFH-AWEZNQCLSA-N 1 0 361.511 3.818 50 0 FHAARO C[NH+]1CCC(OCCCNC(=O)Nc2cccc(-c3ccco3)c2)CC1 ZINC000299792886 571201199 /nfs/dbraw/zinc/20/11/99/571201199.db2.gz GDGJCPXFUISDKQ-UHFFFAOYSA-N 1 0 357.454 3.569 50 0 FHAARO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000097032891 571201992 /nfs/dbraw/zinc/20/19/92/571201992.db2.gz SAWDKTYLNRJOSD-YVEFUNNKSA-N 1 0 350.821 3.788 50 0 FHAARO CC(C)Oc1cccc(-c2cccc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2)c1 ZINC000299796271 571202004 /nfs/dbraw/zinc/20/20/04/571202004.db2.gz NXMNVDSGFYITFX-FQEVSTJZSA-N 1 0 352.478 3.917 50 0 FHAARO CC(C)C[NH+]1CCC(N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000097086739 571203436 /nfs/dbraw/zinc/20/34/36/571203436.db2.gz QTDOKRJJCGXPIX-IBGZPJMESA-N 1 0 353.514 3.729 50 0 FHAARO Cc1ccc(CN(C)C(=O)NC[C@H](c2ccccc2F)[NH+]2CCCC2)o1 ZINC000534584714 571205163 /nfs/dbraw/zinc/20/51/63/571205163.db2.gz ZKBDOQOLNVNZLK-LJQANCHMSA-N 1 0 359.445 3.706 50 0 FHAARO CC[C@H]1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000097165809 571205544 /nfs/dbraw/zinc/20/55/44/571205544.db2.gz VGCWVKRFARFXNT-GUYCJALGSA-N 1 0 365.930 3.935 50 0 FHAARO Cc1ccc([C@H](CNC(=O)N2CCOC(C)(C)C2)[NH+]2CCC(C)CC2)cc1 ZINC000534642986 571206422 /nfs/dbraw/zinc/20/64/22/571206422.db2.gz FCRHPAYZMYLYMV-FQEVSTJZSA-N 1 0 373.541 3.588 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccon2)[NH+]2CCC(C)CC2)cc1 ZINC000534644817 571206633 /nfs/dbraw/zinc/20/66/33/571206633.db2.gz VBGRZXAEYZJQAM-HXUWFJFHSA-N 1 0 370.497 3.598 50 0 FHAARO Cc1cc(N2CCCN(C(=O)N[C@H]3CCCc4ccccc43)CC2)cc[nH+]1 ZINC000534640146 571207225 /nfs/dbraw/zinc/20/72/25/571207225.db2.gz LUCYUMLMPYVWEF-NRFANRHFSA-N 1 0 364.493 3.689 50 0 FHAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3cnc(-c4ccco4)nc3)C2)c1 ZINC000077320298 571207322 /nfs/dbraw/zinc/20/73/22/571207322.db2.gz QASWTBZUMQRBKE-INIZCTEOSA-N 1 0 365.433 3.743 50 0 FHAARO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077323250 571207843 /nfs/dbraw/zinc/20/78/43/571207843.db2.gz PJROBDQCUKBLLW-PZJWPPBQSA-N 1 0 352.453 3.628 50 0 FHAARO CCn1nc(C)cc1C(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077340389 571208166 /nfs/dbraw/zinc/20/81/66/571208166.db2.gz QROZYNJEKKYOFX-IBGZPJMESA-N 1 0 354.498 3.640 50 0 FHAARO Cc1ccc(-c2cc(C(=O)N(C)C[C@@H]3Cc4ccccc4C[N@@H+]3C)[nH]n2)cc1 ZINC000077375552 571209284 /nfs/dbraw/zinc/20/92/84/571209284.db2.gz ZNZIYGDBSMJPPA-FQEVSTJZSA-N 1 0 374.488 3.514 50 0 FHAARO Cn1nc(C[N@@H+]2CCCC[C@@H]2CCn2ccnc2)c2c1cccc2Cl ZINC000077406326 571210266 /nfs/dbraw/zinc/21/02/66/571210266.db2.gz MEICEFSCZSYQCA-OAHLLOKOSA-N 1 0 357.889 3.868 50 0 FHAARO CCn1nc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cc1C ZINC000077424526 571211058 /nfs/dbraw/zinc/21/10/58/571211058.db2.gz KDDRXPUKHZKZOG-HXUWFJFHSA-N 1 0 354.498 3.640 50 0 FHAARO Cn1ccnc1C(=O)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000077438952 571211620 /nfs/dbraw/zinc/21/16/20/571211620.db2.gz QAVGSNJVKWJEHU-MRXNPFEDSA-N 1 0 366.490 3.639 50 0 FHAARO Cc1nc(CC(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000077517425 571214380 /nfs/dbraw/zinc/21/43/80/571214380.db2.gz KNUANZNBKCUMQD-IBGZPJMESA-N 1 0 357.523 3.809 50 0 FHAARO O=C(c1ccc(-c2cccc(=O)[nH]2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000426358352 571214859 /nfs/dbraw/zinc/21/48/59/571214859.db2.gz ODTNMVVNLWJLKJ-UHFFFAOYSA-N 1 0 365.477 3.545 50 0 FHAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)c1cc2cc(F)ccc2o1 ZINC000426371230 571216337 /nfs/dbraw/zinc/21/63/37/571216337.db2.gz ZCNQKOXXDYKCGG-UHFFFAOYSA-N 1 0 362.470 3.662 50 0 FHAARO C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(-c3ccc4[nH]cnc4c3)cc1)CC2 ZINC000426388612 571218662 /nfs/dbraw/zinc/21/86/62/571218662.db2.gz XRTZHYKJPXPWGF-UHFFFAOYSA-N 1 0 374.488 3.788 50 0 FHAARO CC(C)C[N@@H+]1CCCN(C(=O)c2cccc(-c3ncccc3F)c2)CC1 ZINC000426414434 571221988 /nfs/dbraw/zinc/22/19/88/571221988.db2.gz CFNSZONWCHDDMU-UHFFFAOYSA-N 1 0 355.457 3.692 50 0 FHAARO [NH3+][C@H]1CCCN(C(=O)c2cccc(-c3cc(C(F)(F)F)ccn3)c2)CC1 ZINC000426440399 571225385 /nfs/dbraw/zinc/22/53/85/571225385.db2.gz WBINOUGMEALMFQ-INIZCTEOSA-N 1 0 363.383 3.721 50 0 FHAARO Cc1cccc(SC2CCN(C(=O)c3cccc(OCC[NH3+])c3)CC2)c1 ZINC000426442930 571225664 /nfs/dbraw/zinc/22/56/64/571225664.db2.gz MFGXDKHISSCCEJ-UHFFFAOYSA-N 1 0 370.518 3.729 50 0 FHAARO O[C@@H]1c2ccc(-c3cc(F)cc4cccnc43)cc2OC[C@H]1[NH+]1CCCC1 ZINC000426465157 571226429 /nfs/dbraw/zinc/22/64/29/571226429.db2.gz JVJSXRLHRMPMJM-DENIHFKCSA-N 1 0 364.420 3.931 50 0 FHAARO O=C(CCC[NH+]1CCCCC1)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000081355475 571226881 /nfs/dbraw/zinc/22/68/81/571226881.db2.gz JVPDFSILKFSGCE-NRFANRHFSA-N 1 0 355.457 3.692 50 0 FHAARO O=C(c1cccc(-c2ncccc2O)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000426478074 571227423 /nfs/dbraw/zinc/22/74/23/571227423.db2.gz ULLOEWIVSNOXRF-UHFFFAOYSA-N 1 0 365.477 3.545 50 0 FHAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000426515543 571229610 /nfs/dbraw/zinc/22/96/10/571229610.db2.gz OSBMNTLGRXOTCF-KRWDZBQOSA-N 1 0 370.468 3.581 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2cncnc2)cc1)c1ccco1 ZINC000426582742 571232166 /nfs/dbraw/zinc/23/21/66/571232166.db2.gz DOCXXIGVZUFKQA-IBGZPJMESA-N 1 0 364.449 3.550 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cc(F)cc(F)c3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426582937 571232369 /nfs/dbraw/zinc/23/23/69/571232369.db2.gz ZALOCFJEFTWWHB-SLFFLAALSA-N 1 0 351.437 3.903 50 0 FHAARO Cc1cc(C)cc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000033312288 571232796 /nfs/dbraw/zinc/23/27/96/571232796.db2.gz LCFSYIXBUPOXII-UHFFFAOYSA-N 1 0 364.555 3.580 50 0 FHAARO O=C(c1ccccc1Cl)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651586 571233871 /nfs/dbraw/zinc/23/38/71/571233871.db2.gz MENXPWLPHGGFQX-UHFFFAOYSA-N 1 0 371.864 3.910 50 0 FHAARO COc1ccc2[nH]cc(C3=CC[N@H+](CCC(=O)N4CCC[C@@H]4C)CC3)c2c1 ZINC000072578421 571234835 /nfs/dbraw/zinc/23/48/35/571234835.db2.gz IPPSJQAFYNVTJI-INIZCTEOSA-N 1 0 367.493 3.667 50 0 FHAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(-c3ccc(C(F)(F)F)nc3)c2)C1 ZINC000426683809 571234998 /nfs/dbraw/zinc/23/49/98/571234998.db2.gz LZEVLNYMHPRIHZ-MRXNPFEDSA-N 1 0 363.383 3.544 50 0 FHAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000426746085 571236893 /nfs/dbraw/zinc/23/68/93/571236893.db2.gz LDHXOMCMZWCTKI-INIZCTEOSA-N 1 0 374.387 3.629 50 0 FHAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cccc(O)c3)CC2)C1 ZINC000091289573 571238791 /nfs/dbraw/zinc/23/87/91/571238791.db2.gz WZSOVPCDPGWNMO-HXUWFJFHSA-N 1 0 364.489 3.734 50 0 FHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000006652558 571239317 /nfs/dbraw/zinc/23/93/17/571239317.db2.gz WUYSPNQVJWONKD-OAHLLOKOSA-N 1 0 368.355 3.745 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3nc(CO)cs3)CC2)C1 ZINC000091441233 571239661 /nfs/dbraw/zinc/23/96/61/571239661.db2.gz WFGDBWFZYRLZHO-SFHVURJKSA-N 1 0 371.550 3.731 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(c3nc(CO)cs3)CC2)C1 ZINC000091441231 571239711 /nfs/dbraw/zinc/23/97/11/571239711.db2.gz WFGDBWFZYRLZHO-GOSISDBHSA-N 1 0 371.550 3.731 50 0 FHAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccc2cccc(F)c2n1 ZINC000091486267 571240079 /nfs/dbraw/zinc/24/00/79/571240079.db2.gz WZGZRYBCRPJEOK-GOSISDBHSA-N 1 0 363.436 3.593 50 0 FHAARO O=C(Nc1cccc(Br)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000013322803 571270749 /nfs/dbraw/zinc/27/07/49/571270749.db2.gz CXRXPXKIMQROCV-UHFFFAOYSA-N 1 0 352.276 3.541 50 0 FHAARO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000089920337 571274151 /nfs/dbraw/zinc/27/41/51/571274151.db2.gz KEYLEUDRBQUABH-QAPCUYQASA-N 1 0 350.441 3.999 50 0 FHAARO COCc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000252505825 571281337 /nfs/dbraw/zinc/28/13/37/571281337.db2.gz VUAZZQRHEQJLPM-UHFFFAOYSA-N 1 0 353.466 3.619 50 0 FHAARO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000252551886 571283471 /nfs/dbraw/zinc/28/34/71/571283471.db2.gz UJNLRFWGBLUFMD-UHFFFAOYSA-N 1 0 360.498 3.889 50 0 FHAARO Cc1cccc2nc(C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)cc(=O)n12 ZINC000007606833 571283920 /nfs/dbraw/zinc/28/39/20/571283920.db2.gz NZJRZARMACNQIN-UHFFFAOYSA-N 1 0 361.367 3.654 50 0 FHAARO CN(C/C=C/c1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000584894092 571315098 /nfs/dbraw/zinc/31/50/98/571315098.db2.gz UNOGFNOHUMQDKA-URZUPRTMSA-N 1 0 367.493 3.846 50 0 FHAARO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OC(F)F)cc2F)C1 ZINC000585101480 571320531 /nfs/dbraw/zinc/32/05/31/571320531.db2.gz XJFQRTZZJRPMFJ-LLVKDONJSA-N 1 0 359.392 3.669 50 0 FHAARO Cn1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C2CCCCC2)n1 ZINC000585101653 571320579 /nfs/dbraw/zinc/32/05/79/571320579.db2.gz GLNNVSPSVDPEPS-HNNXBMFYSA-N 1 0 361.534 3.710 50 0 FHAARO OCC[NH+](CCO)CCCCc1ccc(CSc2ccccc2)cc1 ZINC000068606141 571321114 /nfs/dbraw/zinc/32/11/14/571321114.db2.gz ZOJZIMATHCFJKE-UHFFFAOYSA-N 1 0 359.535 3.588 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000007941445 571322472 /nfs/dbraw/zinc/32/24/72/571322472.db2.gz BCLWVJVHZXTYIY-UHFFFAOYSA-N 1 0 374.488 3.788 50 0 FHAARO C[C@H](NC(=O)Nc1ccc2c(c1)COC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376823529 571322650 /nfs/dbraw/zinc/32/26/50/571322650.db2.gz PLZXBKPWLRYIOO-WMZOPIPTSA-N 1 0 365.477 3.749 50 0 FHAARO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000079111190 571327077 /nfs/dbraw/zinc/32/70/77/571327077.db2.gz HGSUQITXIZQFSH-QFIPXVFZSA-N 1 0 373.456 3.987 50 0 FHAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(C)cc1 ZINC000095116052 571328660 /nfs/dbraw/zinc/32/86/60/571328660.db2.gz DOZHWDWTODHBFN-LJQANCHMSA-N 1 0 353.466 3.998 50 0 FHAARO FC(F)(F)c1cccc(C2(C[NH2+]Cc3ccncc3)CCOCC2)c1 ZINC000095373457 571329114 /nfs/dbraw/zinc/32/91/14/571329114.db2.gz HSIDBJNAIKKBKB-UHFFFAOYSA-N 1 0 350.384 3.938 50 0 FHAARO C[C@@H]1C[C@H](NC(=O)COc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000095408969 571329434 /nfs/dbraw/zinc/32/94/34/571329434.db2.gz KCGKQJKCNOZBBR-VQIMIIECSA-N 1 0 372.896 3.888 50 0 FHAARO COc1cccc(OC)c1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000095435784 571329606 /nfs/dbraw/zinc/32/96/06/571329606.db2.gz VMSJZEUHXMUBOJ-HKUYNNGSSA-N 1 0 354.494 3.847 50 0 FHAARO Cc1csc2nc(C[NH2+][C@H]3c4cccc(F)c4CC[C@H]3C)cc(=O)n12 ZINC000095462626 571330238 /nfs/dbraw/zinc/33/02/38/571330238.db2.gz SWGYQQLKCZHSOQ-ADLMAVQZSA-N 1 0 357.454 3.617 50 0 FHAARO Cc1ccc2c(c1)-c1onc(C(=O)NCC[N@@H+](C)C3CCCCC3)c1CO2 ZINC000020510036 571330240 /nfs/dbraw/zinc/33/02/40/571330240.db2.gz YVZNSNLVUBYICJ-UHFFFAOYSA-N 1 0 369.465 3.537 50 0 FHAARO CN(C)[C@H](C[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000095973660 571333245 /nfs/dbraw/zinc/33/32/45/571333245.db2.gz LAWVWEDFYSLMIW-WOJBJXKFSA-N 1 0 368.525 3.839 50 0 FHAARO COC(=O)CCCN1CCC([NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000095986440 571333440 /nfs/dbraw/zinc/33/34/40/571333440.db2.gz NKLNROKCUHYQHU-IFMALSPDSA-N 1 0 372.553 3.795 50 0 FHAARO CC(C)C[C@@](O)(c1ccc(O)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170070 571333479 /nfs/dbraw/zinc/33/34/79/571333479.db2.gz GJNXCEOWCHRBST-XZOQPEGZSA-N 1 0 369.505 3.742 50 0 FHAARO CC[NH+](CC)CCCC1CCN(C(=O)C(F)(F)c2ccccn2)CC1 ZINC000096008208 571333910 /nfs/dbraw/zinc/33/39/10/571333910.db2.gz AEDCANUAPIXPJE-UHFFFAOYSA-N 1 0 353.457 3.534 50 0 FHAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N(C)C)C1=O ZINC000096027263 571334106 /nfs/dbraw/zinc/33/41/06/571334106.db2.gz ZGTRLGUTSKWITJ-JOCHJYFZSA-N 1 0 351.494 3.528 50 0 FHAARO Fc1ccccc1-c1noc(NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000021630179 571335239 /nfs/dbraw/zinc/33/52/39/571335239.db2.gz FYXVWVLHJODLNT-UHFFFAOYSA-N 1 0 352.413 3.736 50 0 FHAARO Cc1[nH]c2c(cccc2C)c1[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000021793197 571336011 /nfs/dbraw/zinc/33/60/11/571336011.db2.gz MBAMYNSPKCTYAR-FQEVSTJZSA-N 1 0 367.468 3.779 50 0 FHAARO CC[NH+](CC)CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935097 571336254 /nfs/dbraw/zinc/33/62/54/571336254.db2.gz LQYVYLGRBUYHTN-UHFFFAOYSA-N 1 0 362.477 3.759 50 0 FHAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C12CC(C(F)(F)F)(C1)C2 ZINC000097165147 571336959 /nfs/dbraw/zinc/33/69/59/571336959.db2.gz SCGOMVINKWPACD-NVPAJSRCSA-N 1 0 372.456 3.809 50 0 FHAARO O=C(CCc1cccc(Cl)c1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225685769 571337867 /nfs/dbraw/zinc/33/78/67/571337867.db2.gz GSJMRYBKXOAKIN-OAQYLSRUSA-N 1 0 368.908 3.932 50 0 FHAARO CC(C)[C@H](CNC(=O)c1cccnc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000029173737 571342233 /nfs/dbraw/zinc/34/22/33/571342233.db2.gz VUDNZUREYDJDIA-SFHVURJKSA-N 1 0 357.885 3.548 50 0 FHAARO CC[C@H](CNC(=O)CCc1cccc(OC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000029911561 571344214 /nfs/dbraw/zinc/34/42/14/571344214.db2.gz JYFAVUKULSAHFR-OAQYLSRUSA-N 1 0 366.505 3.581 50 0 FHAARO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000030503592 571346128 /nfs/dbraw/zinc/34/61/28/571346128.db2.gz OFSRNTGERMLBSO-UHFFFAOYSA-N 1 0 360.523 3.524 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)OCCCO2)c1ccsc1 ZINC000031986821 571354782 /nfs/dbraw/zinc/35/47/82/571354782.db2.gz CFELXRGVWHVWSD-KRWDZBQOSA-N 1 0 374.506 3.722 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC)c(F)c1)c1ccsc1 ZINC000031986738 571354786 /nfs/dbraw/zinc/35/47/86/571354786.db2.gz AZAPZSAYJDYICF-INIZCTEOSA-N 1 0 350.459 3.709 50 0 FHAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(F)cc2Cl)CC1 ZINC000032504938 571357764 /nfs/dbraw/zinc/35/77/64/571357764.db2.gz RVKYHOJRGMNROV-UHFFFAOYSA-N 1 0 361.848 3.873 50 0 FHAARO CN(c1ccccc1)C1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000175929483 930490761 /nfs/dbraw/zinc/49/07/61/930490761.db2.gz VFWZKBSDGKLLGC-UHFFFAOYSA-N 1 0 372.557 3.560 50 0 FHAARO C[C@](O)(C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)C1CCCCC1 ZINC000188665874 932033104 /nfs/dbraw/zinc/03/31/04/932033104.db2.gz UTXAQUNXBZTUHD-LPBNZCGVSA-N 1 0 356.510 3.740 50 0 FHAARO CC(C)Oc1cccc([C@@H](O)C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000291059699 933876111 /nfs/dbraw/zinc/87/61/11/933876111.db2.gz CUZQXOMRBPKHED-SFHVURJKSA-N 1 0 374.447 3.514 50 0 FHAARO CCCc1ncc(CN(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cn1 ZINC000022933362 935787547 /nfs/dbraw/zinc/78/75/47/935787547.db2.gz CYPUJAUHEFQGQP-JOCHJYFZSA-N 1 0 366.553 3.958 50 0 FHAARO Cc1ccc(-c2cncnc2[C@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000299791936 945142358 /nfs/dbraw/zinc/14/23/58/945142358.db2.gz DBCPLBROYVGIGH-SFHVURJKSA-N 1 0 363.461 3.917 50 0 FHAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000255775505 939204255 /nfs/dbraw/zinc/20/42/55/939204255.db2.gz VNGGKTNPLKVUBJ-RFMOXSJOSA-N 1 0 366.305 3.545 50 0 FHAARO Cc1nc(-c2cccc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)c2)no1 ZINC000333021229 945310740 /nfs/dbraw/zinc/31/07/40/945310740.db2.gz JAFOPEWVJBRWOV-GOSISDBHSA-N 1 0 354.454 3.781 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3cccs3)cc2C)CC1 ZINC000016299703 940384459 /nfs/dbraw/zinc/38/44/59/940384459.db2.gz KUOMDAYYTLDVHB-VQHVLOKHSA-N 1 0 355.507 3.850 50 0 FHAARO OCc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)o1 ZINC000023478826 940458141 /nfs/dbraw/zinc/45/81/41/940458141.db2.gz WDJLWZMAGWSJFR-OAHLLOKOSA-N 1 0 355.413 3.681 50 0 FHAARO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000178081557 940645057 /nfs/dbraw/zinc/64/50/57/940645057.db2.gz OXJJSQFGLIXLRP-INIZCTEOSA-N 1 0 360.498 3.536 50 0 FHAARO CO[C@@H]1C(=O)N(c2cccc(F)c2)C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000581802108 942843921 /nfs/dbraw/zinc/84/39/21/942843921.db2.gz GUENLKGKFBKOKV-GOSISDBHSA-N 1 0 374.481 3.592 50 0 FHAARO COCCCN1CCc2nc[nH]c2[C@@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675011768 943609364 /nfs/dbraw/zinc/60/93/64/943609364.db2.gz BQFFJOXBNWVDEH-QFIPXVFZSA-N 1 0 374.573 3.638 50 0 FHAARO O=C(c1ccc2c(c1)C[N@@H+](CCCc1ccccc1)CCO2)N1CCCC1 ZINC000675017452 943618498 /nfs/dbraw/zinc/61/84/98/943618498.db2.gz CMFGBGJNKOJESZ-UHFFFAOYSA-N 1 0 364.489 3.750 50 0 FHAARO COc1c(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c(C)nn1C ZINC000093387232 946489307 /nfs/dbraw/zinc/48/93/07/946489307.db2.gz WFNJKWLAMAJCHQ-QGZVFWFLSA-N 1 0 365.481 3.507 50 0 FHAARO CC[C@@H](C)Oc1ccc(C[NH2+]CCCc2nnc(N)s2)cc1Cl ZINC000199493993 946745210 /nfs/dbraw/zinc/74/52/10/946745210.db2.gz JKVOFKIBWRZUSB-LLVKDONJSA-N 1 0 354.907 3.673 50 0 FHAARO Fc1ccc2nc([C@@H]3CCC[N@H+](Cc4cc5n(n4)CCCC5)C3)oc2c1 ZINC000888094288 948398612 /nfs/dbraw/zinc/39/86/12/948398612.db2.gz FYYPUJVCTTZQEW-CQSZACIVSA-N 1 0 354.429 3.879 50 0 FHAARO CC(C)c1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccccc1Cl ZINC000001216934 203994838 /nfs/dbraw/zinc/99/48/38/203994838.db2.gz OZIDWDJKLNOFCK-HNNXBMFYSA-N 1 0 359.877 3.683 50 0 FHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc(F)c1 ZINC000000754658 203947381 /nfs/dbraw/zinc/94/73/81/203947381.db2.gz DOPOSORRZWGXAG-UHFFFAOYSA-N 1 0 354.429 3.770 50 0 FHAARO Cc1ccc(-n2ncc3c2ncnc3NCc2ccccn2)cc1Cl ZINC000010253772 204002188 /nfs/dbraw/zinc/00/21/88/204002188.db2.gz KELLYNRACFIJLY-UHFFFAOYSA-N 1 0 350.813 3.784 50 0 FHAARO O=C(c1ccc(Cl)cc1)c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000002514731 204042333 /nfs/dbraw/zinc/04/23/33/204042333.db2.gz JFSYWTGKJJTZFL-UHFFFAOYSA-N 1 0 371.864 3.910 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000010329639 204010192 /nfs/dbraw/zinc/01/01/92/204010192.db2.gz RZLGQNXUSRXMTJ-MRXNPFEDSA-N 1 0 365.246 3.621 50 0 FHAARO Cc1ccc(C(=O)c2ccc(C[NH+]3CCC4(CC3)OCCO4)cc2)cc1 ZINC000002514716 204042379 /nfs/dbraw/zinc/04/23/79/204042379.db2.gz JECSFEWZZDZRMX-UHFFFAOYSA-N 1 0 351.446 3.565 50 0 FHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000010413506 204019882 /nfs/dbraw/zinc/01/98/82/204019882.db2.gz ZQZKKJJRZJKWKH-UHFFFAOYSA-N 1 0 357.429 3.574 50 0 FHAARO COc1ccc(Cl)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000002001723 204023290 /nfs/dbraw/zinc/02/32/90/204023290.db2.gz NFVCOPFGVMTJJY-UHFFFAOYSA-N 1 0 358.869 3.743 50 0 FHAARO CCCC[NH2+]Cc1cc(Cl)c(OCC(=O)NC(C)(C)C)c(OCC)c1 ZINC000002177955 204029106 /nfs/dbraw/zinc/02/91/06/204029106.db2.gz LFINBLHGFFRGBI-UHFFFAOYSA-N 1 0 370.921 3.922 50 0 FHAARO O=C(c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1)c1ccc(F)cc1F ZINC000002515256 204043210 /nfs/dbraw/zinc/04/32/10/204043210.db2.gz CRESKSRHMOSOCU-UHFFFAOYSA-N 1 0 373.399 3.535 50 0 FHAARO Cc1cccc([N+]2=C3CCCCN3[C@](O)(c3ccc(OC(F)F)cc3)C2)c1 ZINC000002966471 204071046 /nfs/dbraw/zinc/07/10/46/204071046.db2.gz PROPKMANOPGBSD-OAQYLSRUSA-N 1 0 373.423 3.857 50 0 FHAARO COCCC[NH2+]CCCCOc1ccc(Br)cc1Cl ZINC000003002086 204073130 /nfs/dbraw/zinc/07/31/30/204073130.db2.gz VQTJEOYKUQLCLX-UHFFFAOYSA-N 1 0 350.684 3.888 50 0 FHAARO CCOc1ccccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccncc1 ZINC000003050166 204075060 /nfs/dbraw/zinc/07/50/60/204075060.db2.gz OFTUKLSIMWSPBR-MRXNPFEDSA-N 1 0 372.538 3.802 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000003331609 204092404 /nfs/dbraw/zinc/09/24/04/204092404.db2.gz OADABBGGGKUEFF-CQSZACIVSA-N 1 0 364.898 3.784 50 0 FHAARO COc1cccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000002635106 204047466 /nfs/dbraw/zinc/04/74/66/204047466.db2.gz CFALEEDFDDQTSD-UHFFFAOYSA-N 1 0 355.507 3.646 50 0 FHAARO COc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000002734543 204052799 /nfs/dbraw/zinc/05/27/99/204052799.db2.gz YKJYYASDIHRSQI-HXUWFJFHSA-N 1 0 352.478 3.566 50 0 FHAARO CCOC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1OC ZINC000002862091 204063303 /nfs/dbraw/zinc/06/33/03/204063303.db2.gz OZAMKSBGPJALFN-HOTGVXAUSA-N 1 0 357.450 3.876 50 0 FHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 ZINC000003347156 204094306 /nfs/dbraw/zinc/09/43/06/204094306.db2.gz IQQGGSNCZZANSZ-INIZCTEOSA-N 1 0 371.477 4.000 50 0 FHAARO COc1ccc(C[NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000003386333 204096357 /nfs/dbraw/zinc/09/63/57/204096357.db2.gz NOZVUHHWECEONC-HNNXBMFYSA-N 1 0 364.445 3.974 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2cccc(F)c2)[NH+]2CCCCC2)cc1 ZINC000003402861 204097629 /nfs/dbraw/zinc/09/76/29/204097629.db2.gz JWBLIAMYGCSCBI-HXUWFJFHSA-N 1 0 356.441 3.791 50 0 FHAARO COc1ccccc1NC(=S)N(CCC[NH+]1CCCC1)Cc1ccco1 ZINC000004193690 204127590 /nfs/dbraw/zinc/12/75/90/204127590.db2.gz QXSZUHOHRBQBGD-UHFFFAOYSA-N 1 0 373.522 3.973 50 0 FHAARO COc1ccc([C@H](CNC(=O)Cc2ccccc2F)[NH+]2CCCCC2)cc1 ZINC000003415483 204099467 /nfs/dbraw/zinc/09/94/67/204099467.db2.gz WAIVTHFYHCTICS-NRFANRHFSA-N 1 0 370.468 3.720 50 0 FHAARO COc1ccc(-c2c[nH+]c(NCc3ccc(OC)cc3OC)n2C)cc1 ZINC000004678415 204154078 /nfs/dbraw/zinc/15/40/78/204154078.db2.gz RSGOJJUYFCSUJO-UHFFFAOYSA-N 1 0 353.422 3.725 50 0 FHAARO Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)cc1 ZINC000004284369 204130229 /nfs/dbraw/zinc/13/02/29/204130229.db2.gz UOPFIWYXBIHPIP-NHCUHLMSSA-N 1 0 366.486 3.715 50 0 in-vitro FHAARO O=C1C[C@@H]([NH2+]C23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Cl)cc1 ZINC000004310030 204131372 /nfs/dbraw/zinc/13/13/72/204131372.db2.gz ACCDXJPYCWXBQE-ANCGMVAHSA-N 1 0 358.869 3.530 50 0 FHAARO CC[NH+](CC)CCCn1c(C)c(C)c2c1ncnc2NCc1ccco1 ZINC000005345502 204204177 /nfs/dbraw/zinc/20/41/77/204204177.db2.gz YSPJYWZCFZXOKZ-UHFFFAOYSA-N 1 0 355.486 3.985 50 0 FHAARO Cc1cc(=O)n(C[C@H]2CC(c3ccc(N(C)C)cc3)=[NH+]O2)c2ccccc12 ZINC000005370500 204206279 /nfs/dbraw/zinc/20/62/79/204206279.db2.gz FAZYZOFOMMIOPK-GOSISDBHSA-N 1 0 361.445 3.569 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)[NH+](C)C)cc1 ZINC000005958726 204232105 /nfs/dbraw/zinc/23/21/05/204232105.db2.gz JFZZJYWIVRSDMG-QGZVFWFLSA-N 1 0 368.811 3.660 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2cc(F)c(F)cc2Cl)[NH+](C)C)cc1 ZINC000005958725 204232543 /nfs/dbraw/zinc/23/25/43/204232543.db2.gz JFZZJYWIVRSDMG-KRWDZBQOSA-N 1 0 368.811 3.660 50 0 FHAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CCC(c2ccccc2)=N1 ZINC000007341706 204294908 /nfs/dbraw/zinc/29/49/08/204294908.db2.gz IJHYPIKQBCQEQM-UHFFFAOYSA-N 1 0 361.489 3.578 50 0 FHAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NCCOc1ccc(Cl)cc1 ZINC000007443106 204297579 /nfs/dbraw/zinc/29/75/79/204297579.db2.gz XXTWOEFYBAMEQU-INIZCTEOSA-N 1 0 364.898 3.734 50 0 FHAARO c1ccc(CC2CC[NH+](CCCNCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000006764375 204267039 /nfs/dbraw/zinc/26/70/39/204267039.db2.gz XMSCRPPXDCCMLV-UHFFFAOYSA-N 1 0 366.505 3.850 50 0 FHAARO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(F)c1 ZINC000007448656 204297983 /nfs/dbraw/zinc/29/79/83/204297983.db2.gz AWQSGHQHUYJYFT-UHFFFAOYSA-N 1 0 356.441 3.750 50 0 FHAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000008003444 204314477 /nfs/dbraw/zinc/31/44/77/204314477.db2.gz OAGPCIIKWHOCFZ-QFIPXVFZSA-N 1 0 365.477 3.739 50 0 FHAARO CCOC(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1 ZINC000008126638 204317606 /nfs/dbraw/zinc/31/76/06/204317606.db2.gz USPTYKLEKHYEKA-HXUWFJFHSA-N 1 0 366.461 3.811 50 0 FHAARO COc1ccc(OC)c(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)c1 ZINC000008126443 204318277 /nfs/dbraw/zinc/31/82/77/204318277.db2.gz JHEZDEQEXULANP-LJQANCHMSA-N 1 0 354.450 3.652 50 0 FHAARO C[C@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)N1CCCC1 ZINC000008312264 204326483 /nfs/dbraw/zinc/32/64/83/204326483.db2.gz BSVGMODSRUXWCO-FXAWDEMLSA-N 1 0 361.489 3.900 50 0 FHAARO COc1cc(SC)ccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000008428969 204331261 /nfs/dbraw/zinc/33/12/61/204331261.db2.gz ICCLXPPYDSFHFP-INIZCTEOSA-N 1 0 360.479 3.577 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2ccccc2F)[NH+]2CCCCC2)cc1 ZINC000008916787 204349191 /nfs/dbraw/zinc/34/91/91/204349191.db2.gz IEJQMOFBHFNVNI-FQEVSTJZSA-N 1 0 356.441 3.791 50 0 FHAARO O=C(c1noc2c1CCc1sccc1-2)N1CC[NH+](C2CCCCC2)CC1 ZINC000009642606 204377701 /nfs/dbraw/zinc/37/77/01/204377701.db2.gz VSWZNEVVCUYWDG-UHFFFAOYSA-N 1 0 371.506 3.592 50 0 FHAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000010088855 204389504 /nfs/dbraw/zinc/38/95/04/204389504.db2.gz CJSGCMHMTYHVEH-GOSISDBHSA-N 1 0 352.434 3.624 50 0 FHAARO C[C@@H](CNC(=S)NCCSc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000036847491 204394467 /nfs/dbraw/zinc/39/44/67/204394467.db2.gz VLNDUWHWWIRHLU-CVEARBPZSA-N 1 0 351.585 3.506 50 0 FHAARO O=C(c1ccoc1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012591542 204479642 /nfs/dbraw/zinc/47/96/42/204479642.db2.gz XVTJNFLAHIENCJ-FQEVSTJZSA-N 1 0 360.498 3.555 50 0 FHAARO O[C@]1(c2ccc(OC(F)F)cc2)CN2CCCCCC2=[N+]1c1ccccc1 ZINC000013765753 204552290 /nfs/dbraw/zinc/55/22/90/204552290.db2.gz YFVAFEYZJQWCGY-NRFANRHFSA-N 1 0 373.423 3.938 50 0 FHAARO CSc1nc(C(=O)N2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)cs1 ZINC000014977294 204596417 /nfs/dbraw/zinc/59/64/17/204596417.db2.gz MGHVMFROTQQPSM-HNNXBMFYSA-N 1 0 367.584 3.695 50 0 FHAARO OCC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C1CCCC1 ZINC000019635348 204696738 /nfs/dbraw/zinc/69/67/38/204696738.db2.gz YKLCNOPUUGWBDM-GOSISDBHSA-N 1 0 356.432 3.517 50 0 FHAARO CC1(C)CC(NC(=O)CCc2ncc(-c3ccccc3)o2)CC(C)(C)[NH2+]1 ZINC000021473036 204753174 /nfs/dbraw/zinc/75/31/74/204753174.db2.gz MDIFIPSASQFPCE-UHFFFAOYSA-N 1 0 355.482 3.700 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2cccc(OC)c2)[NH+]2CCCCC2)cc1 ZINC000027667712 204866497 /nfs/dbraw/zinc/86/64/97/204866497.db2.gz JIFVJIKFDTWTJY-NRFANRHFSA-N 1 0 368.477 3.661 50 0 FHAARO COc1ccc(CC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000032930256 204948102 /nfs/dbraw/zinc/94/81/02/204948102.db2.gz HMEFASOKAQHWEP-SFHVURJKSA-N 1 0 366.505 3.929 50 0 FHAARO CC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COCc1ccccc1 ZINC000036098362 205002818 /nfs/dbraw/zinc/00/28/18/205002818.db2.gz ZNMWFMRGPAPBGG-RXVVDRJESA-N 1 0 357.494 3.873 50 0 FHAARO COc1ccc(C[N@@H+](Cc2cccc(C)c2)C[C@@H](O)COC(C)C)cc1 ZINC000036095319 205003071 /nfs/dbraw/zinc/00/30/71/205003071.db2.gz ZVDQGJRRDAIZDP-OAQYLSRUSA-N 1 0 357.494 3.792 50 0 FHAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103060 205004475 /nfs/dbraw/zinc/00/44/75/205004475.db2.gz CLAIHRLMKREFKX-LJQANCHMSA-N 1 0 359.441 3.532 50 0 FHAARO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COc2ccccc2)c1 ZINC000036100319 205005291 /nfs/dbraw/zinc/00/52/91/205005291.db2.gz RRVSLFCNIPAVTO-HXUWFJFHSA-N 1 0 357.494 3.983 50 0 FHAARO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COCc2ccco2)c1 ZINC000036100331 205005892 /nfs/dbraw/zinc/00/58/92/205005892.db2.gz ICASQMTZONZZLG-LJQANCHMSA-N 1 0 361.482 3.714 50 0 FHAARO C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146537 205007242 /nfs/dbraw/zinc/00/72/42/205007242.db2.gz CCRYVKOEOBSQCC-BEFAXECRSA-N 1 0 358.869 3.716 50 0 FHAARO Cc1ccc(Cn2c(C(=O)NCC[NH+]3CCCC3)cc3sccc32)cc1 ZINC000037588186 205029747 /nfs/dbraw/zinc/02/97/47/205029747.db2.gz OHGBAFWHRJXHKU-UHFFFAOYSA-N 1 0 367.518 3.885 50 0 FHAARO Cn1cc([C@H](CNC(=O)c2ccc(Cl)s2)[NH+](C)C)c2ccccc21 ZINC000075149183 205034396 /nfs/dbraw/zinc/03/43/96/205034396.db2.gz FKOUPLXUYHTENY-HNNXBMFYSA-N 1 0 361.898 3.926 50 0 FHAARO CCOc1ccc(CC(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1 ZINC000077103997 205036901 /nfs/dbraw/zinc/03/69/01/205036901.db2.gz BDUQWRHFEIKANT-UHFFFAOYSA-N 1 0 372.534 3.685 50 0 FHAARO c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000040024164 205050601 /nfs/dbraw/zinc/05/06/01/205050601.db2.gz HEOFURXSFIKZMB-HXUWFJFHSA-N 1 0 361.445 3.981 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OC(F)F)cc1)c1ccsc1 ZINC000040103160 205054019 /nfs/dbraw/zinc/05/40/19/205054019.db2.gz SSGFIYMSVKOZKD-AWEZNQCLSA-N 1 0 355.410 3.774 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)CCOc1ccc(Cl)cc1)c1ccsc1 ZINC000040107423 205055727 /nfs/dbraw/zinc/05/57/27/205055727.db2.gz WZZJNXGIUMWIKF-INIZCTEOSA-N 1 0 352.887 3.590 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)c(NC(C)=O)c1)c1ccsc1 ZINC000040108813 205057406 /nfs/dbraw/zinc/05/74/06/205057406.db2.gz UZETZLDDGYPFJQ-LJQANCHMSA-N 1 0 373.522 3.828 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCc2nc3ccccc3s2)C1 ZINC000040118850 205057474 /nfs/dbraw/zinc/05/74/74/205057474.db2.gz SFRCPUJYFGJSAY-HZPDHXFCSA-N 1 0 359.539 3.713 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OC)cc1 ZINC000040152979 205059684 /nfs/dbraw/zinc/05/96/84/205059684.db2.gz FNRAWTRLQCGECD-LJQANCHMSA-N 1 0 368.481 3.609 50 0 FHAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]Cc2ccncc2)cc1 ZINC000040732886 205078973 /nfs/dbraw/zinc/07/89/73/205078973.db2.gz HSEXFHUWQJWKIX-UHFFFAOYSA-N 1 0 361.445 3.697 50 0 FHAARO COc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OC(C)C ZINC000040728847 205079309 /nfs/dbraw/zinc/07/93/09/205079309.db2.gz IMAUHYZYPQISGI-UHFFFAOYSA-N 1 0 365.271 3.930 50 0 FHAARO Cc1cccc(COc2ccc(Br)cc2C[NH2+]C[C@@H](C)O)c1 ZINC000040744031 205079767 /nfs/dbraw/zinc/07/97/67/205079767.db2.gz GQLBYCANDBOLMC-CQSZACIVSA-N 1 0 364.283 3.807 50 0 FHAARO COc1cccc(C[NH2+]C[C@H](C)O)c1OCc1c(F)cccc1Cl ZINC000040743895 205079788 /nfs/dbraw/zinc/07/97/88/205079788.db2.gz ZCOYFWOXFXGMFN-LBPRGKRZSA-N 1 0 353.821 3.537 50 0 FHAARO COc1cc(C[NH2+]CCCCO)ccc1OCc1ccc(F)cc1Cl ZINC000040744116 205080254 /nfs/dbraw/zinc/08/02/54/205080254.db2.gz JIHRGSSLIOXABC-UHFFFAOYSA-N 1 0 367.848 3.929 50 0 FHAARO COc1cccc(C[NH2+]C[C@@H](C)O)c1OCc1c(F)cccc1Cl ZINC000040743896 205080446 /nfs/dbraw/zinc/08/04/46/205080446.db2.gz ZCOYFWOXFXGMFN-GFCCVEGCSA-N 1 0 353.821 3.537 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNCc1cc(Br)ccc1OC(C)C ZINC000040719662 205076531 /nfs/dbraw/zinc/07/65/31/205076531.db2.gz LAFXGBWLFIHGST-INIZCTEOSA-N 1 0 355.320 3.810 50 0 FHAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCN1CCOCC1 ZINC000040720889 205076549 /nfs/dbraw/zinc/07/65/49/205076549.db2.gz MYAGZTLNYQHNIH-UHFFFAOYSA-N 1 0 374.912 3.649 50 0 FHAARO C[NH+](C)C1(CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)CCCCC1 ZINC000044669079 205110457 /nfs/dbraw/zinc/11/04/57/205110457.db2.gz MTLCBOSDEXEXHD-UHFFFAOYSA-N 1 0 366.509 3.744 50 0 FHAARO O=C(Cc1ccc2c(c1)CCCC2)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000044714874 205110881 /nfs/dbraw/zinc/11/08/81/205110881.db2.gz UMMNEENVQTUNCS-HXUWFJFHSA-N 1 0 352.478 3.654 50 0 FHAARO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000044912599 205114082 /nfs/dbraw/zinc/11/40/82/205114082.db2.gz SHFFGQIYRZNUTQ-UHFFFAOYSA-N 1 0 366.505 3.922 50 0 FHAARO C[NH+](C)CCCNC(=O)c1cc2sccc2n1Cc1ccccc1F ZINC000044919862 205115362 /nfs/dbraw/zinc/11/53/62/205115362.db2.gz OLKDWLMFNBSKFN-UHFFFAOYSA-N 1 0 359.470 3.572 50 0 FHAARO CCCc1sc(C(=O)NC2CC[NH+](CC)CC2)cc1Br ZINC000013745024 205102622 /nfs/dbraw/zinc/10/26/22/205102622.db2.gz WBVHTWUZBHWWIG-UHFFFAOYSA-N 1 0 359.333 3.677 50 0 FHAARO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)C1 ZINC000046934459 205141047 /nfs/dbraw/zinc/14/10/47/205141047.db2.gz QQJIKJLBKAZJTN-HNNXBMFYSA-N 1 0 352.434 3.900 50 0 FHAARO Cc1noc(C)c1CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048332101 205158642 /nfs/dbraw/zinc/15/86/42/205158642.db2.gz WHLAJYPFXDKOHZ-HZPDHXFCSA-N 1 0 369.509 3.628 50 0 FHAARO C[C@H]([NH2+]Cc1ccccc1Cl)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744633 205166604 /nfs/dbraw/zinc/16/66/04/205166604.db2.gz XOTFJZBPQRISRX-AWEZNQCLSA-N 1 0 358.869 3.848 50 0 FHAARO O=C(CC[NH+]1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1)NC1CC1 ZINC000054344721 205199874 /nfs/dbraw/zinc/19/98/74/205199874.db2.gz DOKBXJNYQOJGAN-UHFFFAOYSA-N 1 0 369.292 3.557 50 0 FHAARO COc1cc(C[N@H+](CCCO)Cc2ccc(C)s2)cc(Cl)c1O ZINC000055360653 205216941 /nfs/dbraw/zinc/21/69/41/205216941.db2.gz HVMORUFVKIKMJH-UHFFFAOYSA-N 1 0 355.887 3.809 50 0 FHAARO O=C(CC[NH+]1CCCCCCC1)N[C@H](c1ccccc1)c1ccncc1 ZINC000055053400 205204996 /nfs/dbraw/zinc/20/49/96/205204996.db2.gz YDPKSUUGHFFCAB-JOCHJYFZSA-N 1 0 351.494 3.943 50 0 FHAARO Cc1cc(C(=O)Nc2ccc(NC(=O)C[N@@H+](C)C3CCCC3)cc2)co1 ZINC000055052872 205205457 /nfs/dbraw/zinc/20/54/57/205205457.db2.gz SBMZBUJLYZJHAE-UHFFFAOYSA-N 1 0 355.438 3.653 50 0 FHAARO Cc1c([C@@H](C)[NH2+]Cc2cccc3nonc32)cnn1-c1ccc(F)cc1F ZINC000055089022 205206476 /nfs/dbraw/zinc/20/64/76/205206476.db2.gz KQXLVPDCMKPSHP-LLVKDONJSA-N 1 0 369.375 3.846 50 0 FHAARO Cc1ccccc1-n1cc(CN(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000055153680 205207919 /nfs/dbraw/zinc/20/79/19/205207919.db2.gz CHFAHCRPGWEETL-RBBKRZOGSA-N 1 0 352.526 3.877 50 0 FHAARO CCOC(=O)C1CC[NH+](Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000057270766 205236290 /nfs/dbraw/zinc/23/62/90/205236290.db2.gz RIDSZHNSQOSBGI-UHFFFAOYSA-N 1 0 369.490 3.838 50 0 FHAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 ZINC000057475462 205240347 /nfs/dbraw/zinc/24/03/47/205240347.db2.gz OTCVIFWBWHMHMR-CQSZACIVSA-N 1 0 371.868 3.756 50 0 FHAARO O=C(CCOc1cccc(Cl)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058406603 205274403 /nfs/dbraw/zinc/27/44/03/205274403.db2.gz RBUBKQIHNPYPJT-UHFFFAOYSA-N 1 0 364.917 3.880 50 0 FHAARO COc1ccc2oc(C)c(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2c1 ZINC000058357218 205272896 /nfs/dbraw/zinc/27/28/96/205272896.db2.gz UIKOZAOVFKCNSF-UHFFFAOYSA-N 1 0 356.466 3.840 50 0 FHAARO Cc1ccc(F)c(NC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)c1 ZINC000064761150 205304492 /nfs/dbraw/zinc/30/44/92/205304492.db2.gz KTINCQZFGGPUJS-UHFFFAOYSA-N 1 0 366.440 3.832 50 0 FHAARO CO[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1 ZINC000061285836 205287032 /nfs/dbraw/zinc/28/70/32/205287032.db2.gz MHIRWXNEVKPKMP-IBGZPJMESA-N 1 0 356.491 3.562 50 0 FHAARO CC(C)[C@@H](CNC(=O)Nc1cccc(-n2cccn2)c1)[NH+]1CCCCCC1 ZINC000062579945 205291024 /nfs/dbraw/zinc/29/10/24/205291024.db2.gz FQQKFMFKJDQKPX-HXUWFJFHSA-N 1 0 369.513 3.894 50 0 FHAARO Cc1nc(C2CC[NH+](C)CC2)cc(N2CCOc3ccc(Cl)cc3C2)n1 ZINC000063855781 205295893 /nfs/dbraw/zinc/29/58/93/205295893.db2.gz QZWVWLBITUYJEF-UHFFFAOYSA-N 1 0 372.900 3.647 50 0 FHAARO O=C(c1nn(CC[NH+]2CCCCC2)c2ccccc21)N1CCCCCC1 ZINC000064761053 205304791 /nfs/dbraw/zinc/30/47/91/205304791.db2.gz JTVQCSATUSMWJC-UHFFFAOYSA-N 1 0 354.498 3.538 50 0 FHAARO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1OC1CCCC1 ZINC000058917815 205279014 /nfs/dbraw/zinc/27/90/14/205279014.db2.gz SSTSHNYFSIMUJW-SFHVURJKSA-N 1 0 372.509 3.717 50 0 FHAARO Cc1cc(NC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)ccc1F ZINC000065255127 205331224 /nfs/dbraw/zinc/33/12/24/205331224.db2.gz JICYVNGGCJDCIT-UHFFFAOYSA-N 1 0 366.440 3.832 50 0 FHAARO O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255119 205331504 /nfs/dbraw/zinc/33/15/04/205331504.db2.gz LVSUKYYYOVXLJV-UHFFFAOYSA-N 1 0 370.403 3.663 50 0 FHAARO C[C@@H](NC(=O)C1=CC[N@H+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000064818065 205305680 /nfs/dbraw/zinc/30/56/80/205305680.db2.gz YARGZAVHGCOKDN-OAHLLOKOSA-N 1 0 356.416 3.974 50 0 FHAARO CC[C@@H](NC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1)c1ccccn1 ZINC000065457340 205352461 /nfs/dbraw/zinc/35/24/61/205352461.db2.gz VYUJFCNUHJLNIO-QGZVFWFLSA-N 1 0 373.884 3.504 50 0 FHAARO CCc1nc(C)sc1CNc1nc(CC[NH3+])nc2sc(C)c(C)c21 ZINC000065536643 205359206 /nfs/dbraw/zinc/35/92/06/205359206.db2.gz DDFDGXWZEQYVBG-UHFFFAOYSA-N 1 0 361.540 3.749 50 0 FHAARO Cc1sc2nc(CC[NH3+])nc(NC[C@@H]3OCCc4ccccc43)c2c1C ZINC000065374786 205340663 /nfs/dbraw/zinc/34/06/63/205340663.db2.gz NIRNLGSOPUBWRA-INIZCTEOSA-N 1 0 368.506 3.535 50 0 FHAARO c1cc(-c2c(-c3ccccc3)ncn2[C@H]2CC[NH2+]C2)n(-c2nccs2)c1 ZINC000065383309 205343191 /nfs/dbraw/zinc/34/31/91/205343191.db2.gz DFDMEDOVXKAEFC-INIZCTEOSA-N 1 0 361.474 3.999 50 0 FHAARO COc1cc(F)ccc1-c1cc([C@@H]2CC[N@H+](Cc3nccn3C)C2)ccn1 ZINC000065405300 205347107 /nfs/dbraw/zinc/34/71/07/205347107.db2.gz AVXDTTHGAGCWOW-MRXNPFEDSA-N 1 0 366.440 3.619 50 0 FHAARO CCc1ccc2oc(=O)cc(C[NH+]3CCC(Oc4cccnc4)CC3)c2c1 ZINC000065397065 205347282 /nfs/dbraw/zinc/34/72/82/205347282.db2.gz IGHFZZSHAWDKFY-UHFFFAOYSA-N 1 0 364.445 3.794 50 0 FHAARO CCOC(=O)N1CCC([NH2+][C@H](c2cccnc2)c2ccc(C)c(C)c2)CC1 ZINC000065407392 205348748 /nfs/dbraw/zinc/34/87/48/205348748.db2.gz UHFXKAATVRAQMY-NRFANRHFSA-N 1 0 367.493 3.998 50 0 FHAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065421033 205349263 /nfs/dbraw/zinc/34/92/63/205349263.db2.gz ICOHCAAEWDHPFK-QGZVFWFLSA-N 1 0 367.884 3.828 50 0 FHAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C[C@H]1O ZINC000067460152 205372297 /nfs/dbraw/zinc/37/22/97/205372297.db2.gz BJMRMVSDVRCJIP-GDBMZVCRSA-N 1 0 359.520 3.859 50 0 FHAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000067724151 205386872 /nfs/dbraw/zinc/38/68/72/205386872.db2.gz DLKJGKDHTHCJSC-OAHLLOKOSA-N 1 0 372.896 3.907 50 0 FHAARO CC[N@H+](Cc1cccc(C(=O)Nc2ncccc2C)c1)[C@@H]1CCCC[C@H]1O ZINC000067833990 205395954 /nfs/dbraw/zinc/39/59/54/205395954.db2.gz VSDPUKYIMYTLJC-WOJBJXKFSA-N 1 0 367.493 3.768 50 0 FHAARO Cc1cccc2cc(CO)c(-c3cc(Cl)cc4c3O[C@@H](C[NH3+])C4)nc12 ZINC000067872761 205399031 /nfs/dbraw/zinc/39/90/31/205399031.db2.gz LSHHTXHSSGJADW-MRXNPFEDSA-N 1 0 354.837 3.618 50 0 FHAARO [NH3+][C@H]1CCCN(C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072172444 205499285 /nfs/dbraw/zinc/49/92/85/205499285.db2.gz LKXJXGBTMIDXGO-ZDUSSCGKSA-N 1 0 369.412 3.782 50 0 FHAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000075358641 205573804 /nfs/dbraw/zinc/57/38/04/205573804.db2.gz ZXQDMCKJNVRGKZ-OXJNMPFZSA-N 1 0 374.525 3.926 50 0 FHAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNc2ncnc3cc(F)ccc32)C1 ZINC000091444590 205674540 /nfs/dbraw/zinc/67/45/40/205674540.db2.gz JTPYYHLHZBVFLS-MRXNPFEDSA-N 1 0 350.441 3.979 50 0 FHAARO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC000091713451 205689318 /nfs/dbraw/zinc/68/93/18/205689318.db2.gz IOAMXZOACYUCSC-OAQYLSRUSA-N 1 0 370.537 3.503 50 0 FHAARO Cc1nn(C(C)C)c(C)c1CN(C)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095383927 205747834 /nfs/dbraw/zinc/74/78/34/205747834.db2.gz BEIMIDTWHBBHNX-HXUWFJFHSA-N 1 0 368.525 3.820 50 0 FHAARO CCCOc1ccc([C@@H](C)NC(=O)NCCC[NH+](C)C)cc1OCCC ZINC000042923231 206011924 /nfs/dbraw/zinc/01/19/24/206011924.db2.gz JCJZHTBERHFKOE-MRXNPFEDSA-N 1 0 365.518 3.576 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(F)ccc2Br)C1 ZINC000047415641 206080625 /nfs/dbraw/zinc/08/06/25/206080625.db2.gz YLTGEQKHQFLOPE-CHWSQXEVSA-N 1 0 371.294 3.686 50 0 FHAARO O[C@@H](COc1ccc2c(c1)CCC2)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004263195 206172342 /nfs/dbraw/zinc/17/23/42/206172342.db2.gz POAIZMMGKOLTOD-HSZRJFAPSA-N 1 0 365.517 3.870 50 0 FHAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cccc(C)c3)sc2c1 ZINC000005115051 206188609 /nfs/dbraw/zinc/18/86/09/206188609.db2.gz ZRYUUZNJZRUYAO-UHFFFAOYSA-N 1 0 369.490 3.822 50 0 FHAARO O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000005009792 206188865 /nfs/dbraw/zinc/18/88/65/206188865.db2.gz DMYOHQBLOZMDLP-HXUWFJFHSA-N 1 0 367.489 3.728 50 0 FHAARO C[NH+](C)CCN(C(=O)CCc1ccccc1)c1nc2ccccc2s1 ZINC000004585291 206179529 /nfs/dbraw/zinc/17/95/29/206179529.db2.gz OPYFPTHCCWTMLG-UHFFFAOYSA-N 1 0 353.491 3.824 50 0 FHAARO Cc1c(-c2ccc(Br)cc2)[n+](=O)c2c(n1O)CCCCC2 ZINC000104096553 206231959 /nfs/dbraw/zinc/23/19/59/206231959.db2.gz LCPLIRVIVOOVTQ-UHFFFAOYSA-N 1 0 350.236 3.647 50 0 FHAARO Cn1cccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)COCc1ccccc1 ZINC000004590998 206237358 /nfs/dbraw/zinc/23/73/58/206237358.db2.gz OCIGWSWKXJQUQQ-HSZRJFAPSA-N 1 0 364.489 3.605 50 0 FHAARO COc1ccc(Br)cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000004985762 206239325 /nfs/dbraw/zinc/23/93/25/206239325.db2.gz JBLQDODICSFFOH-UHFFFAOYSA-N 1 0 367.331 3.908 50 0 FHAARO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2C(C)(C)CCCC2(C)C)c1 ZINC000011027258 206282805 /nfs/dbraw/zinc/28/28/05/206282805.db2.gz GTRPEBADLWAMIU-KRWDZBQOSA-N 1 0 365.514 3.624 50 0 FHAARO CC(C)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000012751479 206295693 /nfs/dbraw/zinc/29/56/93/206295693.db2.gz DPFWUYMXHYMRFZ-KDOFPFPSSA-N 1 0 366.465 3.560 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000108246196 206313852 /nfs/dbraw/zinc/31/38/52/206313852.db2.gz UHJPXULDELKMGQ-QUCCMNQESA-N 1 0 373.928 3.916 50 0 FHAARO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COc1cccc2ccccc21 ZINC000017242249 206321879 /nfs/dbraw/zinc/32/18/79/206321879.db2.gz LAKDLLCZOGHFGS-SFHVURJKSA-N 1 0 357.494 3.593 50 0 FHAARO C[C@H]1C[NH+](CCCOc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000020167665 206329684 /nfs/dbraw/zinc/32/96/84/206329684.db2.gz CRJHFZBEQQKMED-RYUDHWBXSA-N 1 0 362.695 3.981 50 0 FHAARO CCCCOc1ccc(-c2n[nH]c3c2C[N@H+](C[C@@H]2CCOC2)CC3)cc1 ZINC000019731776 206333979 /nfs/dbraw/zinc/33/39/79/206333979.db2.gz RMNPYGOSDQYCQB-INIZCTEOSA-N 1 0 355.482 3.650 50 0 FHAARO O=C1c2ccccc2C(=O)N1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020940277 206345003 /nfs/dbraw/zinc/34/50/03/206345003.db2.gz OTFQIRZMEUIQOW-UHFFFAOYSA-N 1 0 362.473 3.627 50 0 FHAARO COc1cc2c(cc1CNC(=O)c1ccc([C@H]3CCC[NH2+]C3)cc1)CCC2 ZINC000215652379 206349887 /nfs/dbraw/zinc/34/98/87/206349887.db2.gz WVZJAJYIGGOFIV-FQEVSTJZSA-N 1 0 364.489 3.581 50 0 FHAARO COCCN(Cc1ccsc1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000216187834 206357066 /nfs/dbraw/zinc/35/70/66/206357066.db2.gz QXSPMJZSLMMRQB-IBGZPJMESA-N 1 0 358.507 3.504 50 0 FHAARO Cc1sc2ncnc(NCC3([NH+]4CCOCC4)CCCCC3)c2c1C ZINC000022344190 206374959 /nfs/dbraw/zinc/37/49/59/206374959.db2.gz UPRSPGFGKCPQMK-UHFFFAOYSA-N 1 0 360.527 3.755 50 0 FHAARO COC[C@@H](C)[NH2+][C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000021820016 206362743 /nfs/dbraw/zinc/36/27/43/206362743.db2.gz GNJNNUYVSNVKER-FZKQIMNGSA-N 1 0 362.857 3.653 50 0 FHAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000225569683 206488361 /nfs/dbraw/zinc/48/83/61/206488361.db2.gz DEYVCSYZCNQXBH-VJJCQHNBSA-N 1 0 362.583 3.537 50 0 FHAARO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000058426578 221119752 /nfs/dbraw/zinc/11/97/52/221119752.db2.gz HKSXRXAPIILAIC-QKKBWIMNSA-N 1 0 357.473 3.923 50 0 FHAARO C[C@@H]1C[C@H](Nc2ccccc2N2CCC(O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000095997203 132216639 /nfs/dbraw/zinc/21/66/39/132216639.db2.gz GLCWBGLYXDCCKI-QUCCMNQESA-N 1 0 365.521 3.723 50 0 FHAARO CCCc1cc(N2CCC([NH2+]CCCc3ccc(O)cc3)CC2)nc(C)n1 ZINC000096133442 132219895 /nfs/dbraw/zinc/21/98/95/132219895.db2.gz ORAVMHGYUFZHSS-UHFFFAOYSA-N 1 0 368.525 3.634 50 0 FHAARO Cc1nc2sccc2c(N2CCC([NH2+][C@H]3COc4ccccc43)CC2)n1 ZINC000096163883 132221440 /nfs/dbraw/zinc/22/14/40/132221440.db2.gz APMCBQZJXKNKDL-KRWDZBQOSA-N 1 0 366.490 3.692 50 0 FHAARO Cc1nc2sccc2c(N2CCC([NH2+][C@@H]3COc4ccccc43)CC2)n1 ZINC000096163882 132221476 /nfs/dbraw/zinc/22/14/76/132221476.db2.gz APMCBQZJXKNKDL-QGZVFWFLSA-N 1 0 366.490 3.692 50 0 FHAARO CSc1ccc2cc(C[NH2+]CC(C)C)c(N3CCC[C@@H](CO)C3)nc2c1 ZINC000299766133 132298404 /nfs/dbraw/zinc/29/84/04/132298404.db2.gz BAXHBQXEFXLIPO-MRXNPFEDSA-N 1 0 373.566 3.911 50 0 FHAARO O[C@H](C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000020218826 132373844 /nfs/dbraw/zinc/37/38/44/132373844.db2.gz ATDYHWPLSVYKLF-GOSISDBHSA-N 1 0 350.384 3.561 50 0 FHAARO COc1cc(C[NH2+]C2CCN(c3ccccn3)CC2)cc(Cl)c1OC ZINC000237363904 132376670 /nfs/dbraw/zinc/37/66/70/132376670.db2.gz GYLFRKNCKBHCLJ-UHFFFAOYSA-N 1 0 361.873 3.511 50 0 FHAARO [NH3+]CCNc1ccc2c3c1cccc3C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000002023550 132382591 /nfs/dbraw/zinc/38/25/91/132382591.db2.gz WHRWZHRGSLNTCP-UHFFFAOYSA-N 1 0 365.820 3.664 50 0 FHAARO CC(C)CNC(=O)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000034668716 136117949 /nfs/dbraw/zinc/11/79/49/136117949.db2.gz FZGAEYILECOBKK-UHFFFAOYSA-N 1 0 369.484 3.534 50 0 FHAARO CC[C@@H]1CN(c2ccc(-c3nc(-c4ccccc4C)no3)cn2)CC[N@@H+]1C ZINC000039442648 136119095 /nfs/dbraw/zinc/11/90/95/136119095.db2.gz YRSQPIRQQWVQOL-QGZVFWFLSA-N 1 0 363.465 3.637 50 0 FHAARO C[C@H](C1CCN(c2nccc(CCC(F)(F)F)n2)CC1)[NH+]1CCCC1 ZINC000071764461 136140836 /nfs/dbraw/zinc/14/08/36/136140836.db2.gz PQWZNOQNPDVXPH-CQSZACIVSA-N 1 0 356.436 3.672 50 0 FHAARO Cc1ccc2nc(N3CCC[C@@H](O)C3)c(C[NH+]3CCCCCC3)cc2c1 ZINC000072421959 136146160 /nfs/dbraw/zinc/14/61/60/136146160.db2.gz NVKFGEYTUGDNQO-HXUWFJFHSA-N 1 0 353.510 3.880 50 0 FHAARO c1cc2nc(-c3ccccc3)cc(N3CC[NH2+][C@H](c4ccccc4)C3)n2n1 ZINC000072470639 136149004 /nfs/dbraw/zinc/14/90/04/136149004.db2.gz RBTQUXAUAMWVGW-FQEVSTJZSA-N 1 0 355.445 3.547 50 0 FHAARO OCC[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CC[N@@H+]1CC1CCCCC1 ZINC000072479051 136149475 /nfs/dbraw/zinc/14/94/75/136149475.db2.gz UPYXNVHJKWKWRJ-QGZVFWFLSA-N 1 0 371.447 3.554 50 0 FHAARO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023224645 136152534 /nfs/dbraw/zinc/15/25/34/136152534.db2.gz LLILXNIYNVEYTA-FQEVSTJZSA-N 1 0 372.484 3.511 50 0 FHAARO O=C1CCCN1c1cccc(N2CCC([NH2+]CCc3cccs3)CC2)c1 ZINC000023478455 136152874 /nfs/dbraw/zinc/15/28/74/136152874.db2.gz JVPWLAZKIUVMQJ-UHFFFAOYSA-N 1 0 369.534 3.676 50 0 FHAARO COc1cccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c1OC ZINC000019781676 263376819 /nfs/dbraw/zinc/37/68/19/263376819.db2.gz GAJPANAIVGHXMQ-UHFFFAOYSA-N 1 0 365.477 3.503 50 0 FHAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1c[nH]nc1-c1ccccc1)C2 ZINC000091468305 519429927 /nfs/dbraw/zinc/42/99/27/519429927.db2.gz NVWPUGARBAANNA-IEBWSBKVSA-N 1 0 364.493 3.579 50 0 FHAARO CCN(CC)c1nnc(-n2cccc2C[NH2+]Cc2ccc(F)cc2)s1 ZINC000020576648 520935518 /nfs/dbraw/zinc/93/55/18/520935518.db2.gz JUWBFDIXFMJFJR-UHFFFAOYSA-N 1 0 359.474 3.604 50 0 FHAARO CCC[C@H]1CN(C(=O)c2ccccc2CCc2cccc(OC)c2)C[C@@H]1[NH3+] ZINC000091691713 521217896 /nfs/dbraw/zinc/21/78/96/521217896.db2.gz ZOAFHTNLRIPIEU-UGKGYDQZSA-N 1 0 366.505 3.680 50 0 FHAARO CCCc1cc(C(=O)NC[C@@H](c2ccccc2C)[NH+]2CCC(C)CC2)[nH]n1 ZINC000091616325 521357820 /nfs/dbraw/zinc/35/78/20/521357820.db2.gz NINVFSHACWHDKD-NRFANRHFSA-N 1 0 368.525 3.874 50 0 FHAARO CCC(CC)(C[NH2+]CC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)OC ZINC000089943045 521439263 /nfs/dbraw/zinc/43/92/63/521439263.db2.gz VJQDMWRJKZELIN-INIZCTEOSA-N 1 0 370.493 3.586 50 0 FHAARO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(C)s2)C[C@@H]1CCO ZINC000020270824 521483541 /nfs/dbraw/zinc/48/35/41/521483541.db2.gz SNSPHNWERPDHCW-IBGZPJMESA-N 1 0 374.550 3.524 50 0 FHAARO CC[NH+]1CCN(CCCOc2ccc(Cl)cc2Br)CC1 ZINC000020389937 521681712 /nfs/dbraw/zinc/68/17/12/521681712.db2.gz WXTWEJNFZDBKHN-UHFFFAOYSA-N 1 0 361.711 3.509 50 0 FHAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000241277651 521829818 /nfs/dbraw/zinc/82/98/18/521829818.db2.gz LHXPXXVXZQEZPX-CWRNSKLLSA-N 1 0 354.416 3.752 50 0 FHAARO CC[C@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876190 522227169 /nfs/dbraw/zinc/22/71/69/522227169.db2.gz SSKDUEWSSVXJHP-MRXNPFEDSA-N 1 0 367.848 3.927 50 0 FHAARO CCc1nccc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 ZINC000216486396 522576423 /nfs/dbraw/zinc/57/64/23/522576423.db2.gz RSRCDGIGSJQYHR-OAQYLSRUSA-N 1 0 370.516 3.911 50 0 FHAARO CN(Cc1ccc2nsnc2c1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000020449901 523284427 /nfs/dbraw/zinc/28/44/27/523284427.db2.gz UNWFWMMCGJEPQU-IBGZPJMESA-N 1 0 366.534 3.830 50 0 FHAARO C[NH+]1CCC(CNC(=O)C[C@@H]2CCc3ccccc32)(c2ccccc2)CC1 ZINC000091656748 523761344 /nfs/dbraw/zinc/76/13/44/523761344.db2.gz BQSUSNGMOHIFEC-FQEVSTJZSA-N 1 0 362.517 3.886 50 0 FHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)/C=C/c2cccc(F)c2)CC1 ZINC000078489980 523777857 /nfs/dbraw/zinc/77/78/57/523777857.db2.gz ZHENHPMOKLJABQ-MDZDMXLPSA-N 1 0 353.441 3.984 50 0 FHAARO CN1CC[NH+](CCCCOc2ccccc2OCc2ccccc2)CC1 ZINC000020652825 523895647 /nfs/dbraw/zinc/89/56/47/523895647.db2.gz KXJDKUFBJNOGPB-UHFFFAOYSA-N 1 0 354.494 3.672 50 0 FHAARO CCc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)o1 ZINC000020294369 523924891 /nfs/dbraw/zinc/92/48/91/523924891.db2.gz VJTNCWIJZLWOHL-SFHVURJKSA-N 1 0 371.500 3.768 50 0 FHAARO COc1cccc2c1OC[C@H]([NH2+]Cc1cnc(-c3cccc(C)c3)nc1)C2 ZINC000020390467 524246097 /nfs/dbraw/zinc/24/60/97/524246097.db2.gz GMJLVGBHUIBLOF-LJQANCHMSA-N 1 0 361.445 3.554 50 0 FHAARO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020347324 524321633 /nfs/dbraw/zinc/32/16/33/524321633.db2.gz LNZGCQZQEBDVRK-HXUWFJFHSA-N 1 0 374.912 3.519 50 0 FHAARO Cc1ccc(CN2CC[N@H+](Cc3cc4ccccc4o3)C[C@@H]2CCO)cc1 ZINC000019839128 524459255 /nfs/dbraw/zinc/45/92/55/524459255.db2.gz LECBLZCDJKUKLY-NRFANRHFSA-N 1 0 364.489 3.810 50 0 FHAARO Cc1cc(C[NH+]2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)ccc1F ZINC000082138931 524676050 /nfs/dbraw/zinc/67/60/50/524676050.db2.gz HIZMXGCZYUUKHD-UHFFFAOYSA-N 1 0 371.504 3.502 50 0 FHAARO C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC(OCc2ccccn2)CC1 ZINC000216363319 524706231 /nfs/dbraw/zinc/70/62/31/524706231.db2.gz SWUBNHIUNSUSBT-QGZVFWFLSA-N 1 0 368.477 3.670 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CC[C@H]2CCCO2)C1 ZINC000252452469 525384962 /nfs/dbraw/zinc/38/49/62/525384962.db2.gz KJEIFEBGOPQSEM-LVCYWYKZSA-N 1 0 358.526 3.740 50 0 FHAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000091643995 525385237 /nfs/dbraw/zinc/38/52/37/525385237.db2.gz ZYKCLIUXQSXANR-GOSISDBHSA-N 1 0 366.480 3.771 50 0 FHAARO COc1cccc(-c2cccc(N3CCC([NH2+][C@@H]4CCOC4)CC3)c2)c1 ZINC000020166641 525714077 /nfs/dbraw/zinc/71/40/77/525714077.db2.gz ZTGPKROVZFRCEG-HXUWFJFHSA-N 1 0 352.478 3.710 50 0 FHAARO COc1cccc(C[NH2+]C[C@@H](C)O)c1OCc1ccc(F)cc1Cl ZINC000020876199 526019304 /nfs/dbraw/zinc/01/93/04/526019304.db2.gz ATAAKTFSEGOZKT-GFCCVEGCSA-N 1 0 353.821 3.537 50 0 FHAARO Cc1ccc2c(C(=O)NC3CC[NH+](C)CC3)cc(-c3cccnc3)nc2c1C ZINC000407947254 526118673 /nfs/dbraw/zinc/11/86/73/526118673.db2.gz KEEQYGCVSXCPCN-UHFFFAOYSA-N 1 0 374.488 3.738 50 0 FHAARO Cc1cnn(CCC[N@@H+]2CCC[C@H](c3nccn3Cc3ccccc3)C2)c1 ZINC000082166188 526261324 /nfs/dbraw/zinc/26/13/24/526261324.db2.gz YPJQNOBPVMNQLT-NRFANRHFSA-N 1 0 363.509 3.706 50 0 FHAARO c1cc(C[NH2+]Cc2ccccc2)n(-c2nnc(N3CCCCCC3)s2)c1 ZINC000020576844 526428489 /nfs/dbraw/zinc/42/84/89/526428489.db2.gz VRLRSHYVKCFQCZ-UHFFFAOYSA-N 1 0 367.522 3.999 50 0 FHAARO O=C(CCc1ccc(F)c(F)c1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012586195 526587563 /nfs/dbraw/zinc/58/75/63/526587563.db2.gz YMHLIVLYQAYVQZ-LJQANCHMSA-N 1 0 372.459 3.721 50 0 FHAARO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000020996242 526751851 /nfs/dbraw/zinc/75/18/51/526751851.db2.gz IUFGBNSHCSVPLO-MRXNPFEDSA-N 1 0 365.399 3.887 50 0 FHAARO O=C1CC[C@@]2(CCC[N@H+](CCCC3CCCC3)C2)CN1CCc1c[nH]cn1 ZINC000082135142 526992450 /nfs/dbraw/zinc/99/24/50/526992450.db2.gz NFKGLVSDRCSCEE-JOCHJYFZSA-N 1 0 372.557 3.627 50 0 FHAARO O=C1CC[C@]2(CCC[N@H+](CCCC3CCCC3)C2)CN1CCc1c[nH]cn1 ZINC000082135141 526997887 /nfs/dbraw/zinc/99/78/87/526997887.db2.gz NFKGLVSDRCSCEE-QFIPXVFZSA-N 1 0 372.557 3.627 50 0 FHAARO [NH3+]C[C@H]1CCN(C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)C1 ZINC000178570406 527238360 /nfs/dbraw/zinc/23/83/60/527238360.db2.gz KLRINIQIFQUSGW-MRVPVSSYSA-N 1 0 362.804 3.994 50 0 FHAARO O=C(Nc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c1)c1ccccc1Cl ZINC000078724805 527337708 /nfs/dbraw/zinc/33/77/08/527337708.db2.gz RCRYPFVFSIVZMD-MOPGFXCFSA-N 1 0 358.869 3.985 50 0 FHAARO Cc1nccn1CCCC(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000082127074 527391875 /nfs/dbraw/zinc/39/18/75/527391875.db2.gz KYXKZPNGZUEAAP-NRFANRHFSA-N 1 0 368.525 3.787 50 0 FHAARO [NH3+][C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000157749032 527401079 /nfs/dbraw/zinc/40/10/79/527401079.db2.gz GBVXYVUPVHNRHH-JTQLQIEISA-N 1 0 356.278 3.680 50 0 FHAARO OCC[C@@H]1CN(C/C=C/c2ccccc2)CC[N@@H+]1CCCc1ccccc1 ZINC000019792702 527565632 /nfs/dbraw/zinc/56/56/32/527565632.db2.gz MWEBMJMRZJHHEW-XCBPRYKJSA-N 1 0 364.533 3.701 50 0 FHAARO OCC[C@H]1CN(C/C=C/c2ccccc2)CC[N@@H+]1CCCc1ccccc1 ZINC000019792703 527571830 /nfs/dbraw/zinc/57/18/30/527571830.db2.gz MWEBMJMRZJHHEW-DEZWEULXSA-N 1 0 364.533 3.701 50 0 FHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 ZINC000019795251 527692263 /nfs/dbraw/zinc/69/22/63/527692263.db2.gz ZQIHGGYDCYNSTJ-AWEZNQCLSA-N 1 0 371.435 3.776 50 0 FHAARO CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000043574937 535755050 /nfs/dbraw/zinc/75/50/50/535755050.db2.gz DRTPSGZFSQGBBO-SFHVURJKSA-N 1 0 366.509 3.754 50 0 FHAARO COc1ccccc1N1CCC([NH2+][C@H](c2cccs2)[C@H]2C[C@@H](O)C2)CC1 ZINC000244626478 537062041 /nfs/dbraw/zinc/06/20/41/537062041.db2.gz FMKLSPVMZCEXSG-XPIZARPCSA-N 1 0 372.534 3.827 50 0 FHAARO CCCCSc1ncc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000215213510 568058120 /nfs/dbraw/zinc/05/81/20/568058120.db2.gz OGHKZBBEYCMKJA-IBGZPJMESA-N 1 0 356.539 3.858 50 0 FHAARO COc1ccc(CN2c3cccc[n+]3C[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000000787815 568226397 /nfs/dbraw/zinc/22/63/97/568226397.db2.gz HIVMWJZEACVTIW-OAQYLSRUSA-N 1 0 367.856 3.502 50 0 FHAARO COc1ccc(-c2c[nH+]c(NCc3cccc(OC)c3OC)n2C)cc1 ZINC000000819118 568296905 /nfs/dbraw/zinc/29/69/05/568296905.db2.gz OWAXPPNTLXXGFW-UHFFFAOYSA-N 1 0 353.422 3.725 50 0 FHAARO CC(C)COc1ccc(C(=O)O[C@@H]2CC(C)(C)OC[C@@H]2C[NH+](C)C)cc1 ZINC000000826072 568305652 /nfs/dbraw/zinc/30/56/52/568305652.db2.gz SSALKHAQQLSWJX-PKOBYXMFSA-N 1 0 363.498 3.624 50 0 FHAARO C[C@@H](NC(=O)C1([NH+]2CCCCC2)CCCCC1)c1nncn1C1CCCC1 ZINC000223272206 568632845 /nfs/dbraw/zinc/63/28/45/568632845.db2.gz STSFOBZNYBHTNB-QGZVFWFLSA-N 1 0 373.545 3.759 50 0 FHAARO Cc1nccn1CCC1CC[NH+](Cc2cc(=O)c3cc(C)ccc3[nH]2)CC1 ZINC000091769199 570437924 /nfs/dbraw/zinc/43/79/24/570437924.db2.gz FQVKMIRAYPVCGK-UHFFFAOYSA-N 1 0 364.493 3.644 50 0 FHAARO O=C(NCc1ccccc1F)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091807702 570439593 /nfs/dbraw/zinc/43/95/93/570439593.db2.gz ZLVPMDZRVFRHOH-UYAOXDASSA-N 1 0 367.468 3.632 50 0 FHAARO Cc1c2ccc(C)cc2oc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000091849016 570440857 /nfs/dbraw/zinc/44/08/57/570440857.db2.gz QBCYVCSHNKJKOB-UHFFFAOYSA-N 1 0 363.461 3.839 50 0 FHAARO Cc1ccc(NC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccn3)C2)cc1C ZINC000091857996 570440866 /nfs/dbraw/zinc/44/08/66/570440866.db2.gz UCIFNYLKGKRAEY-WIYYLYMNSA-N 1 0 364.493 3.827 50 0 FHAARO Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@H+]2CCCOc2ccccc2)C1 ZINC000092028327 570445462 /nfs/dbraw/zinc/44/54/62/570445462.db2.gz DVSMAPMHWZTEOV-VQTJNVASSA-N 1 0 369.509 3.657 50 0 FHAARO O=C(c1ccc(F)cc1F)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000092081064 570446944 /nfs/dbraw/zinc/44/69/44/570446944.db2.gz IIERCYWRNHZFLK-FUHWJXTLSA-N 1 0 356.416 3.701 50 0 FHAARO CCn1nc(C)c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1C ZINC000095364295 570455094 /nfs/dbraw/zinc/45/50/94/570455094.db2.gz FPJQTQIIASQAQA-LEWJYISDSA-N 1 0 352.526 3.616 50 0 FHAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccncc3F)CC2)C1 ZINC000095366230 570455318 /nfs/dbraw/zinc/45/53/18/570455318.db2.gz ATGRXJVSQHOULU-GOSISDBHSA-N 1 0 367.468 3.562 50 0 FHAARO COc1cccc2c1OC[C@H](C[NH2+]C1CCN(Cc3ccccc3)CC1)C2 ZINC000095366689 570455472 /nfs/dbraw/zinc/45/54/72/570455472.db2.gz BJUAVEDENSMDEU-IBGZPJMESA-N 1 0 366.505 3.501 50 0 FHAARO Cc1nc2cc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)ccc2s1 ZINC000095368133 570455739 /nfs/dbraw/zinc/45/57/39/570455739.db2.gz HIGAIVWHDNJJQJ-SJLPKXTDSA-N 1 0 369.534 3.941 50 0 FHAARO Cc1ccc(NC(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)cc1 ZINC000095370588 570456296 /nfs/dbraw/zinc/45/62/96/570456296.db2.gz PSVLNRJXIYWFPT-SFHVURJKSA-N 1 0 369.513 3.555 50 0 FHAARO Cc1cc(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)ccc1F ZINC000095371804 570456619 /nfs/dbraw/zinc/45/66/19/570456619.db2.gz OVZXOOJARFBQED-NHCUHLMSSA-N 1 0 366.480 3.800 50 0 FHAARO Cc1nccn1-c1ccc(CNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000095382769 570459371 /nfs/dbraw/zinc/45/93/71/570459371.db2.gz MIHGCEJHYBDPOL-OAQYLSRUSA-N 1 0 374.488 3.578 50 0 FHAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(C)o3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095385588 570460172 /nfs/dbraw/zinc/46/01/72/570460172.db2.gz XVTWHULVPJRHDZ-YPAWHYETSA-N 1 0 352.478 3.659 50 0 FHAARO COCCN(Cc1cccs1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095392005 570461386 /nfs/dbraw/zinc/46/13/86/570461386.db2.gz GRZFWNKNRJOZNQ-GOSISDBHSA-N 1 0 358.507 3.504 50 0 FHAARO Cc1ccccc1NC(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095497540 570462229 /nfs/dbraw/zinc/46/22/29/570462229.db2.gz YGRRTUHBFZXIDA-GOSISDBHSA-N 1 0 369.513 3.555 50 0 FHAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)COc1ccccc1)CC2 ZINC000095498563 570462384 /nfs/dbraw/zinc/46/23/84/570462384.db2.gz FNWFTGWERFPJCK-FQEVSTJZSA-N 1 0 364.489 3.546 50 0 FHAARO CC(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cc1 ZINC000095498399 570462462 /nfs/dbraw/zinc/46/24/62/570462462.db2.gz SYEYRURHGIFHAK-AZUAARDMSA-N 1 0 369.534 3.890 50 0 FHAARO Cc1[nH]ccc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095504510 570463766 /nfs/dbraw/zinc/46/37/66/570463766.db2.gz ODGKZPJODWGQRS-HXUWFJFHSA-N 1 0 373.541 3.599 50 0 FHAARO O=C(NCCCn1nccc1C1CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095506807 570464215 /nfs/dbraw/zinc/46/42/15/570464215.db2.gz CKXUECKJQFVGTI-UHFFFAOYSA-N 1 0 366.509 3.567 50 0 FHAARO CC(C)c1ccc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)cc1 ZINC000095508552 570464697 /nfs/dbraw/zinc/46/46/97/570464697.db2.gz NKOBCVGNNWFEAP-FQEVSTJZSA-N 1 0 368.525 3.588 50 0 FHAARO CC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)cc1 ZINC000095513139 570465902 /nfs/dbraw/zinc/46/59/02/570465902.db2.gz BRLZUJIMQWVEBN-INIZCTEOSA-N 1 0 355.438 3.516 50 0 FHAARO Cc1nc2cc(CNC(=O)CC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2n1C ZINC000095518956 570466785 /nfs/dbraw/zinc/46/67/85/570466785.db2.gz HULBQUPFKIZKRE-AZUAARDMSA-N 1 0 368.525 3.543 50 0 FHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)C1CC=CC1 ZINC000095525093 570468237 /nfs/dbraw/zinc/46/82/37/570468237.db2.gz OASDGSHHHQHLAH-IBGZPJMESA-N 1 0 358.501 3.895 50 0 FHAARO CCn1nc(C(C)C)cc1C(=O)N1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000095531836 570470008 /nfs/dbraw/zinc/47/00/08/570470008.db2.gz PQLSZJBXQAOLAO-GHTZIAJQSA-N 1 0 368.525 3.505 50 0 FHAARO CCc1oc(-c2nc(-c3ccncc3)nn2CC)cc1C[NH+]1CCCC1 ZINC000096130607 570476037 /nfs/dbraw/zinc/47/60/37/570476037.db2.gz AXFSQAXIEKMWBV-UHFFFAOYSA-N 1 0 351.454 3.778 50 0 FHAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1cccc2c[nH]nc21 ZINC000096140218 570476655 /nfs/dbraw/zinc/47/66/55/570476655.db2.gz FYAPWIVIMYFWDJ-UHFFFAOYSA-N 1 0 363.465 3.823 50 0 FHAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-c2ccco2)cc1 ZINC000096138966 570476762 /nfs/dbraw/zinc/47/67/62/570476762.db2.gz RLNVQLCXAPYARM-SFHVURJKSA-N 1 0 357.454 3.521 50 0 FHAARO CC[NH+](CC)Cc1cccc(NC(=O)N(C)Cc2cc(C3CC3)n[nH]2)c1 ZINC000096138111 570476826 /nfs/dbraw/zinc/47/68/26/570476826.db2.gz YHMSANFHMYOBCB-UHFFFAOYSA-N 1 0 355.486 3.793 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1OCc1ccccc1 ZINC000096161468 570478075 /nfs/dbraw/zinc/47/80/75/570478075.db2.gz FXPBZQZYOIVTGJ-SFHVURJKSA-N 1 0 353.466 3.871 50 0 FHAARO [NH3+][C@@H]1CC[C@H](c2nc(COc3ccccc3)nn2C2Cc3ccccc3C2)C1 ZINC000096166738 570478453 /nfs/dbraw/zinc/47/84/53/570478453.db2.gz UTHDVXWYXQDFFR-RBUKOAKNSA-N 1 0 374.488 3.792 50 0 FHAARO CN1CC2(CC[NH+](CCC(F)(F)F)CC2)C[C@@H](c2ccccc2)C1=O ZINC000096165271 570478520 /nfs/dbraw/zinc/47/85/20/570478520.db2.gz YHBMNIPPAXPKAY-INIZCTEOSA-N 1 0 354.416 3.667 50 0 FHAARO CN1CC2(CC[NH+](CCC(F)(F)F)CC2)C[C@H](c2ccccc2)C1=O ZINC000096165270 570478567 /nfs/dbraw/zinc/47/85/67/570478567.db2.gz YHBMNIPPAXPKAY-MRXNPFEDSA-N 1 0 354.416 3.667 50 0 FHAARO CC(=O)c1cc(CC(=O)NC[C@@H](c2ccccc2F)N2CCCC2)cs1 ZINC000097213297 570484922 /nfs/dbraw/zinc/48/49/22/570484922.db2.gz WULZOCAPPIULBS-SFHVURJKSA-N 1 0 374.481 3.586 50 0 FHAARO CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 ZINC000001179513 570489221 /nfs/dbraw/zinc/48/92/21/570489221.db2.gz WUABEXALCYSACE-UHFFFAOYSA-N 1 0 366.505 3.922 50 0 FHAARO COc1cccc(COc2ccccc2CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000097522476 570489877 /nfs/dbraw/zinc/48/98/77/570489877.db2.gz NSLXUTCHBRGYSC-HSZRJFAPSA-N 1 0 366.505 3.850 50 0 FHAARO CS(=O)(=O)C[C@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000097532322 570489902 /nfs/dbraw/zinc/48/99/02/570489902.db2.gz QMFDJJWAZIOBFK-SFHVURJKSA-N 1 0 357.519 3.575 50 0 FHAARO CCOCc1cc(C[NH+]2CCC(c3ccnc(C)n3)CC2)ccc1OC ZINC000097553324 570490265 /nfs/dbraw/zinc/49/02/65/570490265.db2.gz PNWREYMIWHHANP-UHFFFAOYSA-N 1 0 355.482 3.710 50 0 FHAARO Cc1cc(-c2nn(C)c(Cl)c2C[N@H+](C)C2Cc3ccccc3C2)no1 ZINC000097568888 570490576 /nfs/dbraw/zinc/49/05/76/570490576.db2.gz YHXKACIEMXYXFK-UHFFFAOYSA-N 1 0 356.857 3.636 50 0 FHAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCC3=CCCCC3)C2=O)cc1 ZINC000102405691 570515232 /nfs/dbraw/zinc/51/52/32/570515232.db2.gz WCSBHTYLBIUDCA-LJQANCHMSA-N 1 0 356.466 3.587 50 0 FHAARO COc1ccc(-c2nc(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c(C)o2)c(C)c1C ZINC000102549050 570515714 /nfs/dbraw/zinc/51/57/14/570515714.db2.gz ZCKVVWFEVPFUNI-FVQHAEBGSA-N 1 0 356.466 3.763 50 0 FHAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2ccc3ncsc3c2)C1 ZINC000102540817 570515720 /nfs/dbraw/zinc/51/57/20/570515720.db2.gz NDHDVPBHAAWSCP-QGZVFWFLSA-N 1 0 365.502 3.824 50 0 FHAARO Cn1c(CO)nnc1C1CC[NH+](Cc2ccc(C3CCCCC3)s2)CC1 ZINC000102543767 570515801 /nfs/dbraw/zinc/51/58/01/570515801.db2.gz NKFLUVDSERFGMP-UHFFFAOYSA-N 1 0 374.554 3.796 50 0 FHAARO [O-]c1c([C@@H](c2ccccc2)N2CCCC2)sc2nc(-c3ccco3)nn12 ZINC000023666846 570542974 /nfs/dbraw/zinc/54/29/74/570542974.db2.gz OYGQMGFDJXZFHQ-OAHLLOKOSA-N 1 0 366.446 3.942 50 0 FHAARO Cc1ccc(C[NH+]2CCC3(CC2)Nc2cccc(Cl)c2C(=O)N3)cc1 ZINC000034812242 570556191 /nfs/dbraw/zinc/55/61/91/570556191.db2.gz NXEZXMZYUKXQTO-UHFFFAOYSA-N 1 0 355.869 3.796 50 0 FHAARO O[C@@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc(-c2ccccn2)cs1 ZINC000004916011 570559056 /nfs/dbraw/zinc/55/90/56/570559056.db2.gz ZVOIOUBKMZZODN-MEBBXXQBSA-N 1 0 368.384 3.822 50 0 FHAARO Cc1cc(C)c(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000011853353 570596840 /nfs/dbraw/zinc/59/68/40/570596840.db2.gz NGOVMFGNZKEQHG-UHFFFAOYSA-N 1 0 365.521 3.554 50 0 FHAARO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)n1 ZINC000011932909 570602555 /nfs/dbraw/zinc/60/25/55/570602555.db2.gz XRTBIAFCWUOPLV-JOCHJYFZSA-N 1 0 367.468 3.544 50 0 FHAARO CCc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)nc1 ZINC000426535957 570615329 /nfs/dbraw/zinc/61/53/29/570615329.db2.gz VMZAWDIUCREIQS-JAXLGGSGSA-N 1 0 367.493 3.630 50 0 FHAARO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2F)CC1 ZINC000253431059 570625737 /nfs/dbraw/zinc/62/57/37/570625737.db2.gz ZDAGGNHIVOFHCK-GFCCVEGCSA-N 1 0 358.251 3.753 50 0 FHAARO Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CC[N@H+](C)[C@H]([C@@H](C)O)C1 ZINC000075567699 570632287 /nfs/dbraw/zinc/63/22/87/570632287.db2.gz GTAQULXVGFJRLU-KOSHJBKYSA-N 1 0 362.517 3.972 50 0 FHAARO c1ccc(-n2nnnc2SCC[NH2+]Cc2cccc3ccccc32)cc1 ZINC000007540249 570666309 /nfs/dbraw/zinc/66/63/09/570666309.db2.gz JAPSMJRAZPWDNR-UHFFFAOYSA-N 1 0 361.474 3.697 50 0 FHAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](CCO)C(C)C)c1 ZINC000011762929 570706237 /nfs/dbraw/zinc/70/62/37/570706237.db2.gz PJHQJHNILDKPMX-UHFFFAOYSA-N 1 0 365.477 3.751 50 0 FHAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](CCC(=O)N2CCCC2)C1 ZINC000011934144 570711656 /nfs/dbraw/zinc/71/16/56/570711656.db2.gz ZVBOPIITDNBYAB-QPGLYAHGSA-N 1 0 356.510 3.823 50 0 FHAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)COc2ccccc2Cl)C1 ZINC000012193760 570725626 /nfs/dbraw/zinc/72/56/26/570725626.db2.gz NQHFNHYUVJAWSF-GOSISDBHSA-N 1 0 372.896 3.842 50 0 FHAARO Cc1ncccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012210364 570727964 /nfs/dbraw/zinc/72/79/64/570727964.db2.gz AWXGGWARLQFYAF-JOCHJYFZSA-N 1 0 355.526 3.898 50 0 FHAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2[C@@H](C)c2csc(C)n2)c1 ZINC000012209419 570727982 /nfs/dbraw/zinc/72/79/82/570727982.db2.gz NZVKWVLNDOFORS-YOEHRIQHSA-N 1 0 373.522 3.692 50 0 FHAARO O=C1N(Cc2cccnc2)CCC[C@]12CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000012307575 570735466 /nfs/dbraw/zinc/73/54/66/570735466.db2.gz BTGKZAIQDGYJNK-OAQYLSRUSA-N 1 0 369.896 3.750 50 0 FHAARO O=C1N(CC2CCCCC2)CCC[C@]12CC[N@@H+](C1CCSCC1)C2 ZINC000012372858 570739664 /nfs/dbraw/zinc/73/96/64/570739664.db2.gz YKMLJPCWKACUTD-HXUWFJFHSA-N 1 0 350.572 3.777 50 0 FHAARO O=C1N(CC2CCCCC2)CCC[C@@]12CC[N@@H+](C1CCSCC1)C2 ZINC000012372857 570739667 /nfs/dbraw/zinc/73/96/67/570739667.db2.gz YKMLJPCWKACUTD-FQEVSTJZSA-N 1 0 350.572 3.777 50 0 FHAARO CCOc1ccccc1C[NH+]1CCC(CO)(Cc2ccc(OC)cc2)CC1 ZINC000012373369 570740044 /nfs/dbraw/zinc/74/00/44/570740044.db2.gz UQNJUOWGONYFDW-UHFFFAOYSA-N 1 0 369.505 3.911 50 0 FHAARO C[C@H]([NH2+]Cc1c(C(=O)N2CCCC2)nc2sccn12)c1ccc(F)cc1 ZINC000012445193 570746469 /nfs/dbraw/zinc/74/64/69/570746469.db2.gz XIGBWJUZVUIXJM-ZDUSSCGKSA-N 1 0 372.469 3.622 50 0 FHAARO COCc1ccc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)o1 ZINC000012456028 570747212 /nfs/dbraw/zinc/74/72/12/570747212.db2.gz CXNFKAWNCHDLCJ-GOSISDBHSA-N 1 0 374.500 3.952 50 0 FHAARO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000012467655 570748115 /nfs/dbraw/zinc/74/81/15/570748115.db2.gz YWXCZFYWNAXNBR-INIZCTEOSA-N 1 0 365.399 3.887 50 0 FHAARO CCc1ncc(C[NH2+][C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)cn1 ZINC000012476488 570748609 /nfs/dbraw/zinc/74/86/09/570748609.db2.gz SYICIBPWLNYRHZ-MRXNPFEDSA-N 1 0 353.514 3.930 50 0 FHAARO O=C(CSc1ccccc1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012577522 570751358 /nfs/dbraw/zinc/75/13/58/570751358.db2.gz YBZQIVNKLSNIGL-LJQANCHMSA-N 1 0 354.519 3.602 50 0 FHAARO Cc1cccc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)n1 ZINC000012581947 570751450 /nfs/dbraw/zinc/75/14/50/570751450.db2.gz MMMMMDZYERPSAE-UHFFFAOYSA-N 1 0 369.484 3.556 50 0 FHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)CCc1ccco1 ZINC000012577448 570751455 /nfs/dbraw/zinc/75/14/55/570751455.db2.gz SYVNUIKCJKNQTE-UHFFFAOYSA-N 1 0 372.484 3.764 50 0 FHAARO COc1ccc(-n2cc(C[NH2+]C[C@H](C)O)c(-c3ccccc3Cl)n2)cc1 ZINC000012590399 570752333 /nfs/dbraw/zinc/75/23/33/570752333.db2.gz KMAZYCQREFGCBH-AWEZNQCLSA-N 1 0 371.868 3.672 50 0 FHAARO O=C(CCc1cn[nH]c1)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012593272 570752444 /nfs/dbraw/zinc/75/24/44/570752444.db2.gz SOSWPMBDZRBATL-QFIPXVFZSA-N 1 0 372.557 3.627 50 0 FHAARO CCn1nc(C)c(C[N@H+](CCc2ccccc2)C[C@H]2CCCN(C)C2)c1C ZINC000012714878 570757639 /nfs/dbraw/zinc/75/76/39/570757639.db2.gz ZPFYMRIUWROXLR-QFIPXVFZSA-N 1 0 368.569 3.906 50 0 FHAARO Cn1cc(C[N@@H+]2CCCC[C@H]2CCn2cccn2)c(-c2ccccc2F)n1 ZINC000012718983 570758164 /nfs/dbraw/zinc/75/81/64/570758164.db2.gz WGJCPPUHJAPKOA-SFHVURJKSA-N 1 0 367.472 3.868 50 0 FHAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccccc1 ZINC000012789485 570761445 /nfs/dbraw/zinc/76/14/45/570761445.db2.gz SBBFOCOQFAVLIH-UHFFFAOYSA-N 1 0 352.434 3.799 50 0 FHAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000013326007 570776194 /nfs/dbraw/zinc/77/61/94/570776194.db2.gz CGGJEMOKZMRONL-LBPRGKRZSA-N 1 0 359.297 3.751 50 0 FHAARO COc1cc(C[NH2+]CC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731399 570788171 /nfs/dbraw/zinc/78/81/71/570788171.db2.gz FYMZRCVAZLUSKY-UHFFFAOYSA-N 1 0 356.466 3.767 50 0 FHAARO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000014165321 570809486 /nfs/dbraw/zinc/80/94/86/570809486.db2.gz PWYKZERIFQCJQC-MRXNPFEDSA-N 1 0 352.478 3.541 50 0 FHAARO CCOc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(C)cc2C)cc1OC ZINC000014248207 570815754 /nfs/dbraw/zinc/81/57/54/570815754.db2.gz SWHAATNLDORQQV-LJQANCHMSA-N 1 0 373.493 3.582 50 0 FHAARO C[C@@H](c1nnc(-c2cccs2)o1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000032853375 570821792 /nfs/dbraw/zinc/82/17/92/570821792.db2.gz VYZGRXAXLMUKPP-INIZCTEOSA-N 1 0 368.506 3.719 50 0 FHAARO Cc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2c(F)cccc2F)c1 ZINC000014879548 570825251 /nfs/dbraw/zinc/82/52/51/570825251.db2.gz HOJVJOXRWCYYBY-QGZVFWFLSA-N 1 0 358.432 3.944 50 0 FHAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000014962948 570827356 /nfs/dbraw/zinc/82/73/56/570827356.db2.gz GXTMWEUWAIPZDY-HSZRJFAPSA-N 1 0 351.490 3.829 50 0 FHAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)/C=C/c1ccco1 ZINC000014967818 570827400 /nfs/dbraw/zinc/82/74/00/570827400.db2.gz QSGTWMIVQKZZHA-CMDGGOBGSA-N 1 0 370.468 3.845 50 0 FHAARO C[NH+](C)[C@@H]1CCN(c2nncc(-c3ccc(C4CCCCC4)cc3)n2)C1 ZINC000014975778 570827844 /nfs/dbraw/zinc/82/78/44/570827844.db2.gz OTYLPWINKJJJJN-LJQANCHMSA-N 1 0 351.498 3.727 50 0 FHAARO COc1ccccc1NC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000102230514 570829056 /nfs/dbraw/zinc/82/90/56/570829056.db2.gz PWGMBDRLVPODKF-QFBILLFUSA-N 1 0 351.450 3.843 50 0 FHAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000015062381 570830508 /nfs/dbraw/zinc/83/05/08/570830508.db2.gz RHWKQJQZRWCWMR-JOCHJYFZSA-N 1 0 353.462 3.780 50 0 FHAARO C[N@@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@@H]1COCCO1 ZINC000015073751 570832019 /nfs/dbraw/zinc/83/20/19/570832019.db2.gz QPAOOSGTWWDETL-OAQYLSRUSA-N 1 0 363.461 3.591 50 0 FHAARO CCOc1ccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCCC2)cc1 ZINC000015860181 570846258 /nfs/dbraw/zinc/84/62/58/570846258.db2.gz ZHYVYBTZEUCQAC-LJQANCHMSA-N 1 0 356.466 3.944 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCC2)o1 ZINC000015860225 570846704 /nfs/dbraw/zinc/84/67/04/570846704.db2.gz BACKSAYIAVCDJY-QGZVFWFLSA-N 1 0 362.857 3.574 50 0 FHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(C)c3C)cc2)CC1 ZINC000032916033 570857680 /nfs/dbraw/zinc/85/76/80/570857680.db2.gz UJVCWBFQELGMMF-UHFFFAOYSA-N 1 0 351.494 3.693 50 0 FHAARO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000060156550 570860454 /nfs/dbraw/zinc/86/04/54/570860454.db2.gz GEEMQXNVIMZTFZ-OAHLLOKOSA-N 1 0 374.916 3.684 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCOc2ccc(OC)cc2)cc1 ZINC000016780206 570862411 /nfs/dbraw/zinc/86/24/11/570862411.db2.gz KXOQQDPRDLDDOS-UHFFFAOYSA-N 1 0 370.493 3.622 50 0 FHAARO COc1ccc(-c2c[n+](CC(=O)c3ccc(C)c(C)c3)c3n2CCC3)cc1 ZINC000016976208 570864537 /nfs/dbraw/zinc/86/45/37/570864537.db2.gz IHQMEIYCIDPYNN-UHFFFAOYSA-N 1 0 361.465 3.897 50 0 FHAARO CC[NH+](CC)CCN(CC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000019367545 570888080 /nfs/dbraw/zinc/88/80/80/570888080.db2.gz OKRHUZMJDXLDRI-UHFFFAOYSA-N 1 0 353.510 3.778 50 0 FHAARO CCc1ccc(-c2n[nH]c3c2C[N@H+](CCCn2nc(C)cc2C)CC3)cc1 ZINC000019740492 570901866 /nfs/dbraw/zinc/90/18/66/570901866.db2.gz XTATUQCQBPLBTO-UHFFFAOYSA-N 1 0 363.509 3.901 50 0 FHAARO C[C@H]1C[NH+](C2CCN(Cc3ccccc3Br)CC2)C[C@H](C)O1 ZINC000019888868 570905361 /nfs/dbraw/zinc/90/53/61/570905361.db2.gz AQDBYXKBXZXASE-GJZGRUSLSA-N 1 0 367.331 3.523 50 0 FHAARO C[NH+]1CCN(CCCOc2ccc3ccccc3c2Br)CC1 ZINC000019973762 570908268 /nfs/dbraw/zinc/90/82/68/570908268.db2.gz XIQWLWNKNXSWRJ-UHFFFAOYSA-N 1 0 363.299 3.619 50 0 FHAARO CCc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000020502475 570918774 /nfs/dbraw/zinc/91/87/74/570918774.db2.gz WYDPVVGJZBNUNT-UHFFFAOYSA-N 1 0 362.473 3.673 50 0 FHAARO CCc1ncc(C[NH2+][C@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)cn1 ZINC000020999214 570927791 /nfs/dbraw/zinc/92/77/91/570927791.db2.gz YRYBYYAKLBGCQI-QFIPXVFZSA-N 1 0 366.553 3.992 50 0 FHAARO CC[NH+](CC)CCSc1ccc(C(=O)Nc2ccc(OC)cc2)cn1 ZINC000021663581 570932478 /nfs/dbraw/zinc/93/24/78/570932478.db2.gz QATAPDQNUCNCQU-UHFFFAOYSA-N 1 0 359.495 3.776 50 0 FHAARO CC[NH+](CC)CCN[C@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 ZINC000022037503 570937818 /nfs/dbraw/zinc/93/78/18/570937818.db2.gz YTGKMIKBHOVMKM-NRFANRHFSA-N 1 0 367.493 3.500 50 0 FHAARO C[C@@H](NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000022198025 570941013 /nfs/dbraw/zinc/94/10/13/570941013.db2.gz QHKRUWRMWZPDOC-QGZVFWFLSA-N 1 0 371.912 3.730 50 0 FHAARO COc1ccc([C@@H](CNC(=O)[C@]2(C)CC2(Cl)Cl)[NH+]2CCCC2)cc1 ZINC000022620325 570947748 /nfs/dbraw/zinc/94/77/48/570947748.db2.gz RIQJABGNJDSESL-WBVHZDCISA-N 1 0 371.308 3.532 50 0 FHAARO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000022804449 570950012 /nfs/dbraw/zinc/95/00/12/570950012.db2.gz RTUNJAOKVMRPCL-QAPCUYQASA-N 1 0 359.445 3.563 50 0 FHAARO Fc1cccc(Br)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022867277 570951616 /nfs/dbraw/zinc/95/16/16/570951616.db2.gz QCYNKJSSSHWLDZ-UHFFFAOYSA-N 1 0 363.274 3.906 50 0 FHAARO Cc1[nH]c2ccccc2c1C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000023249350 570960928 /nfs/dbraw/zinc/96/09/28/570960928.db2.gz MVTGEXZDOROFHF-LJQANCHMSA-N 1 0 355.507 3.701 50 0 FHAARO CC(C)[N@@H+]1CCN(Cc2ccc(N(C)c3ccccc3)cc2)C[C@@H]1CCO ZINC000023374845 570962800 /nfs/dbraw/zinc/96/28/00/570962800.db2.gz MICNLUMOVGBWHU-QHCPKHFHSA-N 1 0 367.537 3.732 50 0 FHAARO Cc1ccsc1C[NH+]1CCC(n2cc([C@H](O)c3ccccc3)nn2)CC1 ZINC000023398953 570963167 /nfs/dbraw/zinc/96/31/67/570963167.db2.gz DZMVGJNQVHKFMY-HXUWFJFHSA-N 1 0 368.506 3.567 50 0 FHAARO CC[C@@H](NC(=O)CC1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000223836901 570969875 /nfs/dbraw/zinc/96/98/75/570969875.db2.gz APPKFTFWKXNLJO-OAQYLSRUSA-N 1 0 351.494 3.951 50 0 FHAARO CC[C@H](NC(=O)CC1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000223836953 570969978 /nfs/dbraw/zinc/96/99/78/570969978.db2.gz APPKFTFWKXNLJO-NRFANRHFSA-N 1 0 351.494 3.951 50 0 FHAARO CCOc1c(Cl)cc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1OC ZINC000025261808 570992935 /nfs/dbraw/zinc/99/29/35/570992935.db2.gz ASPXMAYWNPQPHV-CQSZACIVSA-N 1 0 363.841 3.677 50 0 FHAARO Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2)n1 ZINC000025784803 571000642 /nfs/dbraw/zinc/00/06/42/571000642.db2.gz BUZPZNBDKZINCG-GOSISDBHSA-N 1 0 368.506 3.583 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2sccc2C)cc1 ZINC000026311215 571004546 /nfs/dbraw/zinc/00/45/46/571004546.db2.gz ICOGINNSXXIAIB-OAHLLOKOSA-N 1 0 366.552 3.938 50 0 FHAARO Clc1cc(C[NH2+]CCc2ccc3c(c2)OCO3)cc2c1OCCCO2 ZINC000026317315 571004596 /nfs/dbraw/zinc/00/45/96/571004596.db2.gz SUVDCLSPNZNOBF-UHFFFAOYSA-N 1 0 361.825 3.562 50 0 FHAARO Cc1noc(C)c1COc1cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000027456574 571012431 /nfs/dbraw/zinc/01/24/31/571012431.db2.gz NHNMAAPMDDASJD-UHFFFAOYSA-N 1 0 373.497 3.719 50 0 FHAARO CCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793058 571021144 /nfs/dbraw/zinc/02/11/44/571021144.db2.gz YCZQNNBTLMMKIY-OAQYLSRUSA-N 1 0 352.478 3.961 50 0 FHAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2sccc2-c2ccccc2)C1 ZINC000028011657 571026299 /nfs/dbraw/zinc/02/62/99/571026299.db2.gz YLHMMXAFQXWODP-KRWDZBQOSA-N 1 0 358.507 3.502 50 0 FHAARO Cc1cccc(OCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000028293106 571030927 /nfs/dbraw/zinc/03/09/27/571030927.db2.gz QARQEBLNSFNAGZ-HXUWFJFHSA-N 1 0 352.478 3.636 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccccc3F)c(C)c2)CC1 ZINC000028799473 571034637 /nfs/dbraw/zinc/03/46/37/571034637.db2.gz KSRJHOWDPXCXOU-UHFFFAOYSA-N 1 0 356.445 3.920 50 0 FHAARO CC[N@H+](C)[C@H](C(=O)NCc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000225569688 571046226 /nfs/dbraw/zinc/04/62/26/571046226.db2.gz WBUSPIOMMDPLAH-KRWDZBQOSA-N 1 0 372.337 3.691 50 0 FHAARO Cc1cc(CN2CC[NH+](C[C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)on1 ZINC000225719210 571058811 /nfs/dbraw/zinc/05/88/11/571058811.db2.gz BEMBKPKWLRGFHU-CQSZACIVSA-N 1 0 367.415 3.923 50 0 FHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000225724999 571059649 /nfs/dbraw/zinc/05/96/49/571059649.db2.gz HZMHCFXLSBBMPE-QGZVFWFLSA-N 1 0 366.452 3.555 50 0 FHAARO COc1ccc(C[N@H+](C)Cc2cc(=O)oc3ccc(C)cc23)cc1OC ZINC000033018664 571061212 /nfs/dbraw/zinc/06/12/12/571061212.db2.gz QAATZGSJJJXQAF-UHFFFAOYSA-N 1 0 353.418 3.751 50 0 FHAARO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000033018733 571061278 /nfs/dbraw/zinc/06/12/78/571061278.db2.gz HCLQSNXGPOSEIL-UHFFFAOYSA-N 1 0 353.418 3.832 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2ccccc2c1 ZINC000072306649 571063637 /nfs/dbraw/zinc/06/36/37/571063637.db2.gz HZDHZAHWWXHLBN-UHFFFAOYSA-N 1 0 374.484 3.727 50 0 FHAARO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(Sc2ccccn2)CC1 ZINC000072308934 571066990 /nfs/dbraw/zinc/06/69/90/571066990.db2.gz ZHUPNSNLCLAXBB-IAGOWNOFSA-N 1 0 361.555 3.818 50 0 FHAARO C=C1[NH+]=C(SC)N[C@H](c2ccc(Br)cc2)C1C(=O)OCC ZINC000005444351 571069931 /nfs/dbraw/zinc/06/99/31/571069931.db2.gz VWDIWOOTTJIBGK-CYBMUJFWSA-N 1 0 369.284 3.650 50 0 FHAARO COC(=O)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000022078134 571071386 /nfs/dbraw/zinc/07/13/86/571071386.db2.gz MUUBGNGAEVGIIP-RTWAWAEBSA-N 1 0 356.510 3.702 50 0 FHAARO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H](C)c2ccccc2)sc2c1CCC2 ZINC000002916418 571071887 /nfs/dbraw/zinc/07/18/87/571071887.db2.gz SWCYRIXPPIKLHN-ZDUSSCGKSA-N 1 0 372.490 3.703 50 0 FHAARO COc1cc(C[NH2+]CCCNc2ccc(C(F)(F)F)cn2)cc(OC)c1 ZINC000040088640 571074254 /nfs/dbraw/zinc/07/42/54/571074254.db2.gz ILMRJDZABBFRMQ-UHFFFAOYSA-N 1 0 369.387 3.709 50 0 FHAARO COc1cc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc2c1OCO2 ZINC000247889071 571075022 /nfs/dbraw/zinc/07/50/22/571075022.db2.gz MAZLTZVQVGVUSI-GHTZIAJQSA-N 1 0 372.509 3.653 50 0 FHAARO C[C@H](SCc1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000040143447 571084817 /nfs/dbraw/zinc/08/48/17/571084817.db2.gz ANSLFBPJQQBUIA-KXBFYZLASA-N 1 0 360.498 3.867 50 0 FHAARO Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000009117682 571097508 /nfs/dbraw/zinc/09/75/08/571097508.db2.gz DASVNVAJRQTTDP-UHFFFAOYSA-N 1 0 367.424 3.884 50 0 FHAARO CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)C[NH2+]C3CCCCC3)ccc21 ZINC000012421962 571097741 /nfs/dbraw/zinc/09/77/41/571097741.db2.gz YDVLWGQVXVQCMC-SFHVURJKSA-N 1 0 372.509 3.834 50 0 FHAARO CC[NH+]1CCN(c2nc(-c3cccnc3)nc3sc(C)c(C)c32)CC1 ZINC000009218585 571101607 /nfs/dbraw/zinc/10/16/07/571101607.db2.gz GPBCHLLNMYKKES-UHFFFAOYSA-N 1 0 353.495 3.512 50 0 FHAARO COCc1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000239359509 571108092 /nfs/dbraw/zinc/10/80/92/571108092.db2.gz AEJNUUSPIBHVEW-UHFFFAOYSA-N 1 0 359.514 3.953 50 0 FHAARO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000241776812 571110213 /nfs/dbraw/zinc/11/02/13/571110213.db2.gz RSVJPJLSNVIJPD-FQEVSTJZSA-N 1 0 354.494 3.643 50 0 FHAARO Cc1ncsc1CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244718776 571115313 /nfs/dbraw/zinc/11/53/13/571115313.db2.gz LQOKSSYJYRJVQQ-SFHVURJKSA-N 1 0 357.523 3.507 50 0 FHAARO Cc1cc(C)c(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)c(C)c1CO ZINC000055153821 571117044 /nfs/dbraw/zinc/11/70/44/571117044.db2.gz IOYWPOYGLYUHIP-HXUWFJFHSA-N 1 0 354.494 3.680 50 0 FHAARO c1ncn(C2CCCCC2)c1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000244882485 571118575 /nfs/dbraw/zinc/11/85/75/571118575.db2.gz XSSQTNHZCSJSSB-UHFFFAOYSA-N 1 0 364.537 3.673 50 0 FHAARO Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3nccn3C)C2)cc1Cl ZINC000244882425 571118756 /nfs/dbraw/zinc/11/87/56/571118756.db2.gz XRMATJQYSZMNRT-HNNXBMFYSA-N 1 0 360.889 3.590 50 0 FHAARO COc1cccc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3F)C2)c1OC ZINC000244899822 571120072 /nfs/dbraw/zinc/12/00/72/571120072.db2.gz ZRBNZPXVXFQHBV-OAHLLOKOSA-N 1 0 372.440 3.661 50 0 FHAARO Cc1nc2ccc(C(=O)N[C@H]3CCN(C)[C@@H]3c3ccc(F)c(F)c3)cc2o1 ZINC000332948803 571122190 /nfs/dbraw/zinc/12/21/90/571122190.db2.gz RUDPZZGRJUTVEV-PKOBYXMFSA-N 1 0 371.387 3.590 50 0 FHAARO O=C(NCC[NH+]1CCCCCC1)c1sc2ncccc2c1-n1cccc1 ZINC000015786029 571124420 /nfs/dbraw/zinc/12/44/20/571124420.db2.gz WSSANPDAAMESPU-UHFFFAOYSA-N 1 0 368.506 3.693 50 0 FHAARO O=C(c1n[nH]cc1Cl)N1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000252480442 571131358 /nfs/dbraw/zinc/13/13/58/571131358.db2.gz CAEVQEIXJXVOJF-HXUWFJFHSA-N 1 0 372.900 3.582 50 0 FHAARO CN(Cc1cc2ccccc2s1)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1 ZINC000252569149 571134670 /nfs/dbraw/zinc/13/46/70/571134670.db2.gz WCSNJMZHTGROFQ-GASCZTMLSA-N 1 0 367.522 3.664 50 0 FHAARO C[C@@H]1c2cccn2CCN1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000035267006 571138566 /nfs/dbraw/zinc/13/85/66/571138566.db2.gz ASWMBYQABRPGKY-NQIIRXRSSA-N 1 0 362.473 3.972 50 0 FHAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccn(-c2ccccc2F)n1 ZINC000073901764 571138972 /nfs/dbraw/zinc/13/89/72/571138972.db2.gz VSAQXDSRWKYLLZ-UHFFFAOYSA-N 1 0 364.424 3.860 50 0 FHAARO CC(C)=CCC[C@@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O ZINC000000969383 571140951 /nfs/dbraw/zinc/14/09/51/571140951.db2.gz ZRAJZIGAXJIFRY-UXHICEINSA-N 1 0 352.519 3.961 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 ZINC000012906532 571143391 /nfs/dbraw/zinc/14/33/91/571143391.db2.gz JQKXSETVLHMFNR-UHFFFAOYSA-N 1 0 368.452 3.659 50 0 FHAARO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(C)C)cc1OC ZINC000012926346 571145970 /nfs/dbraw/zinc/14/59/70/571145970.db2.gz YQJZIUABXLRYRG-GOSISDBHSA-N 1 0 373.493 3.699 50 0 FHAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCC[N@@H+](C)CC1 ZINC000067886682 571151152 /nfs/dbraw/zinc/15/11/52/571151152.db2.gz LXXUBZHOSPSILC-UHFFFAOYSA-N 1 0 353.388 3.806 50 0 FHAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C2CC[NH+](C)CC2)CCO3)s1 ZINC000067883886 571151185 /nfs/dbraw/zinc/15/11/85/571151185.db2.gz AOTSPGOEHJFKNL-UHFFFAOYSA-N 1 0 358.507 3.718 50 0 FHAARO CCc1ccccc1C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC000067921621 571151822 /nfs/dbraw/zinc/15/18/22/571151822.db2.gz CSPZGJVNLVUSLY-QFIPXVFZSA-N 1 0 352.478 3.970 50 0 FHAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C[C@H]1CCC[NH2+]C1)CCO2 ZINC000067935020 571152250 /nfs/dbraw/zinc/15/22/50/571152250.db2.gz DHHAPQORICPUNE-KRWDZBQOSA-N 1 0 352.478 3.562 50 0 FHAARO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000069116257 571154199 /nfs/dbraw/zinc/15/41/99/571154199.db2.gz SWNBHHWRMNDNEI-SFHVURJKSA-N 1 0 366.509 3.670 50 0 FHAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cc4ccccn4c3)CC2)c1 ZINC000033138742 571157955 /nfs/dbraw/zinc/15/79/55/571157955.db2.gz QGDZLWDWFGYPQP-UHFFFAOYSA-N 1 0 361.489 3.890 50 0 FHAARO CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCC[NH+](CC)CC ZINC000072414641 571159071 /nfs/dbraw/zinc/15/90/71/571159071.db2.gz SPVKQGVLBISHCQ-UHFFFAOYSA-N 1 0 370.559 3.527 50 0 FHAARO CC(C)(C[N@@H+]1CCC[C@@H](CCc2ccc(F)c(F)c2)C1)N1CCOCC1 ZINC000071439749 571161784 /nfs/dbraw/zinc/16/17/84/571161784.db2.gz ZGJYJMDZZKLFMC-SFHVURJKSA-N 1 0 366.496 3.720 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2ccc(F)cn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071613825 571162885 /nfs/dbraw/zinc/16/28/85/571162885.db2.gz XWKHWTKVRMJWBM-HXUWFJFHSA-N 1 0 373.447 3.733 50 0 FHAARO CC(C)[C@@H]1CN(Cc2cc(-c3cccnc3)no2)CCC[N@@H+]1CC1CC1 ZINC000071662283 571163236 /nfs/dbraw/zinc/16/32/36/571163236.db2.gz XSYNZDIGWJWXMF-NRFANRHFSA-N 1 0 354.498 3.679 50 0 FHAARO COCc1cc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)ccc1OC ZINC000071749451 571164658 /nfs/dbraw/zinc/16/46/58/571164658.db2.gz DMTAYFRAOOYBMJ-NRFANRHFSA-N 1 0 360.542 3.784 50 0 FHAARO CC(C)[C@@H]1C[N@H+](CCc2ccccn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071749716 571164714 /nfs/dbraw/zinc/16/47/14/571164714.db2.gz LPQQFSFTTRCJFW-NRFANRHFSA-N 1 0 369.484 3.522 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2cnc3ccccc3c2)CCC[N@@H+]1CC1CC1 ZINC000071751524 571164829 /nfs/dbraw/zinc/16/48/29/571164829.db2.gz SJEZDQCYRVCLRU-NRFANRHFSA-N 1 0 351.494 3.817 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2ccccn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071755337 571165118 /nfs/dbraw/zinc/16/51/18/571165118.db2.gz LBLMYRIJDSMRKU-HXUWFJFHSA-N 1 0 355.457 3.593 50 0 FHAARO CCc1nccn1CC[N@@H+]1CCC[C@H](C(=O)c2ccc(SC)cc2)C1 ZINC000071754475 571165214 /nfs/dbraw/zinc/16/52/14/571165214.db2.gz WVMDJNGUMROVRY-KRWDZBQOSA-N 1 0 357.523 3.762 50 0 FHAARO COc1cc(C)c(-c2nc(C[NH+]3CCC(CCO)CC3)c(C)o2)cc1C ZINC000071753400 571165305 /nfs/dbraw/zinc/16/53/05/571165305.db2.gz LOGYPKLSUVQOSC-UHFFFAOYSA-N 1 0 358.482 3.870 50 0 FHAARO CCCn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c(C)n1 ZINC000072126612 571170400 /nfs/dbraw/zinc/17/04/00/571170400.db2.gz VJIRXLHKKMWEMP-DNVJHFABSA-N 1 0 364.537 3.664 50 0 FHAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)NCc3ccco3)C2)cc1 ZINC000072128433 571170682 /nfs/dbraw/zinc/17/06/82/571170682.db2.gz SZXYILNYHPPISZ-HXUWFJFHSA-N 1 0 369.509 3.942 50 0 FHAARO CC(C)c1nc(CNC(=O)c2ccc(C[C@H]3CCC[NH2+]C3)cc2)cs1 ZINC000072141604 571172113 /nfs/dbraw/zinc/17/21/13/571172113.db2.gz HMDXUPHRJVNSSM-MRXNPFEDSA-N 1 0 357.523 3.739 50 0 FHAARO Oc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000072144282 571172343 /nfs/dbraw/zinc/17/23/43/571172343.db2.gz RTZDGFHNCBTXCI-BHDDXSALSA-N 1 0 352.453 3.594 50 0 FHAARO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(C)c(C)c3)c2)C1 ZINC000072144055 571172427 /nfs/dbraw/zinc/17/24/27/571172427.db2.gz BLHFOOVZJBKCGX-HXUWFJFHSA-N 1 0 363.509 3.906 50 0 FHAARO Fc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@H](OCc3ccccn3)C2)c1 ZINC000072145099 571172884 /nfs/dbraw/zinc/17/28/84/571172884.db2.gz KTUFKBCUTDXILP-FQEVSTJZSA-N 1 0 366.440 3.588 50 0 FHAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2ccn(C(C)(C)C)c2)C1 ZINC000072145912 571173295 /nfs/dbraw/zinc/17/32/95/571173295.db2.gz NYIBRWZMKGMFFF-FQEVSTJZSA-N 1 0 368.525 3.765 50 0 FHAARO c1csc(C[N@H+]2CCCN(Cc3ccc(-n4ccnc4)cc3)CC2)c1 ZINC000072149880 571174076 /nfs/dbraw/zinc/17/40/76/571174076.db2.gz FCZPNLXGIMQTGB-UHFFFAOYSA-N 1 0 352.507 3.642 50 0 FHAARO CC(C)([NH3+])C(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000072152756 571174692 /nfs/dbraw/zinc/17/46/92/571174692.db2.gz GPUROXPQGPFFAA-QGZVFWFLSA-N 1 0 368.452 3.651 50 0 FHAARO COc1ccnc(CN2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1OC ZINC000072155950 571175066 /nfs/dbraw/zinc/17/50/66/571175066.db2.gz KHEJKGWITISWQC-FQEVSTJZSA-N 1 0 369.509 3.888 50 0 FHAARO CN(C)C(=O)COc1ccccc1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000072159078 571175685 /nfs/dbraw/zinc/17/56/85/571175685.db2.gz MXGRDHBNOXJRAY-FQEVSTJZSA-N 1 0 352.478 3.663 50 0 FHAARO CC(C)c1cncnc1N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000072163618 571176425 /nfs/dbraw/zinc/17/64/25/571176425.db2.gz FTQKLVWQNHNCJS-HXUWFJFHSA-N 1 0 365.525 3.734 50 0 FHAARO Cc1ccc([C@H]2CN(C(=O)c3ccccc3F)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072166121 571176684 /nfs/dbraw/zinc/17/66/84/571176684.db2.gz CXXAAHGHSHIYNP-CEMLEFRQSA-N 1 0 364.464 3.837 50 0 FHAARO Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3CCN3CCOCC3)on2)cc1 ZINC000072167639 571176966 /nfs/dbraw/zinc/17/69/66/571176966.db2.gz UXAAKQHZYYMRCN-FQEVSTJZSA-N 1 0 369.509 3.727 50 0 FHAARO O=C(NCc1ccc(-c2ccccn2)s1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072169741 571177269 /nfs/dbraw/zinc/17/72/69/571177269.db2.gz PQADTORYPAIZGK-HNNXBMFYSA-N 1 0 363.486 3.817 50 0 FHAARO O=C(CCn1cnc2ccccc21)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000012549922 571179089 /nfs/dbraw/zinc/17/90/89/571179089.db2.gz GVAZNXPCDJWOEL-UHFFFAOYSA-N 1 0 368.525 3.731 50 0 FHAARO COc1ccc(-n2nnnc2C2([NH2+]C3CCCCC3)CCCCC2)cc1 ZINC000035622549 571183699 /nfs/dbraw/zinc/18/36/99/571183699.db2.gz ZZLDSGOFAOHKIC-UHFFFAOYSA-N 1 0 355.486 3.753 50 0 FHAARO C[C@@H]1Oc2c(cccc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H]1C ZINC000012594059 571187874 /nfs/dbraw/zinc/18/78/74/571187874.db2.gz XKNWBHPDACSULG-RVKKMQEKSA-N 1 0 354.450 3.731 50 0 FHAARO COc1cc(OC)cc(N2CC[C@H]([NH2+]C3CCC(C(F)(F)F)CC3)C2)c1 ZINC000123395439 571188488 /nfs/dbraw/zinc/18/84/88/571188488.db2.gz OFKIQTDXKPREPH-NRXISQOPSA-N 1 0 372.431 3.993 50 0 FHAARO CN1C[C@]2(CCC[N@H+](Cc3ccc(Oc4ccccc4)cc3)C2)OC1=O ZINC000072410391 571191734 /nfs/dbraw/zinc/19/17/34/571191734.db2.gz CAMRPEKAEZLFOM-NRFANRHFSA-N 1 0 352.434 3.896 50 0 FHAARO C[NH+](C)C[C@H]1COCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000299755393 571191815 /nfs/dbraw/zinc/19/18/15/571191815.db2.gz BQWJHCGCPAKLRT-QGZVFWFLSA-N 1 0 369.465 3.521 50 0 FHAARO Cc1ncc2c(c1CNC(=O)c1ccccc1Oc1ccccc1)CC[NH2+]C2 ZINC000072411686 571192139 /nfs/dbraw/zinc/19/21/39/571192139.db2.gz XVTKAKKCTWKOJT-UHFFFAOYSA-N 1 0 373.456 3.758 50 0 FHAARO CCc1nc(C)sc1C(=O)NCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000299759816 571193138 /nfs/dbraw/zinc/19/31/38/571193138.db2.gz NNQUHYZAYZCRRL-INIZCTEOSA-N 1 0 357.523 3.542 50 0 FHAARO Cc1nc(C(=O)N2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)c(C)o1 ZINC000072423540 571193937 /nfs/dbraw/zinc/19/39/37/571193937.db2.gz YUOWIQAMVRVXBR-JOCHJYFZSA-N 1 0 367.493 3.810 50 0 FHAARO CCN1CC2(CC[NH+](Cc3ccc([C@@H]4CCCCO4)s3)CC2)OC1=O ZINC000072428632 571195184 /nfs/dbraw/zinc/19/51/84/571195184.db2.gz ZWLIPABOIFVSAI-INIZCTEOSA-N 1 0 364.511 3.796 50 0 FHAARO O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(O)c3)C2)CN1Cc1ccccc1 ZINC000072430719 571195378 /nfs/dbraw/zinc/19/53/78/571195378.db2.gz DIURUXPZRUYHOC-QHCPKHFHSA-N 1 0 364.489 3.797 50 0 FHAARO Cc1c[nH+]ccc1NCCNC(=O)c1cccc(-c2nccn2C(C)C)c1 ZINC000299771436 571195938 /nfs/dbraw/zinc/19/59/38/571195938.db2.gz WYPADHUZNBLYOF-UHFFFAOYSA-N 1 0 363.465 3.676 50 0 FHAARO c1c(C[NH+]2CCCC2)c(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 ZINC000072432976 571196123 /nfs/dbraw/zinc/19/61/23/571196123.db2.gz GYYCPMBTNLPCAD-UHFFFAOYSA-N 1 0 361.445 3.923 50 0 FHAARO COc1ccccc1-c1ncc(C[N@H+](C)[C@H](C)Cc2cnccn2)s1 ZINC000299772691 571196194 /nfs/dbraw/zinc/19/61/94/571196194.db2.gz AYWWKTSCJHALAS-CQSZACIVSA-N 1 0 354.479 3.672 50 0 FHAARO c1cnn(CCCc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)c1 ZINC000299774438 571196390 /nfs/dbraw/zinc/19/63/90/571196390.db2.gz HYBHHZUBSXYVCS-OTWHNJEPSA-N 1 0 363.465 3.592 50 0 FHAARO Cc1ccsc1[C@H](CNC(=O)c1cccc(-c2ncccn2)c1)[NH+](C)C ZINC000299776306 571196984 /nfs/dbraw/zinc/19/69/84/571196984.db2.gz ADNKIJJVCIVUHG-KRWDZBQOSA-N 1 0 366.490 3.546 50 0 FHAARO C[C@H](C1CCN(C(=O)c2cccc(OC(F)F)c2)CC1)[NH+]1CCCC1 ZINC000072447695 571197138 /nfs/dbraw/zinc/19/71/38/571197138.db2.gz HKZYMLTYJLXCAM-CQSZACIVSA-N 1 0 352.425 3.625 50 0 FHAARO CC(=O)c1cccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000072454381 571197696 /nfs/dbraw/zinc/19/76/96/571197696.db2.gz JLKHTNLTHQNBKL-UHFFFAOYSA-N 1 0 362.473 3.552 50 0 FHAARO Cc1ccc(NC(=O)NCC[C@H]2CCC[N@H+]2C)cc1NC(=O)C1CCCC1 ZINC000299782237 571198211 /nfs/dbraw/zinc/19/82/11/571198211.db2.gz GYRLBDOZVLYMBS-GOSISDBHSA-N 1 0 372.513 3.730 50 0 FHAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OC1Cc2ccccc2C1 ZINC000299785016 571199209 /nfs/dbraw/zinc/19/92/09/571199209.db2.gz ISZXCHHLAVKGLP-UHFFFAOYSA-N 1 0 360.457 3.926 50 0 FHAARO Cc1ncn(CC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C(C)C)c1C ZINC000299787844 571199755 /nfs/dbraw/zinc/19/97/55/571199755.db2.gz RVMSCWTZFBOUGY-NRFANRHFSA-N 1 0 350.466 3.763 50 0 FHAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)CCc2scnc2C)c(F)c1 ZINC000072479424 571199928 /nfs/dbraw/zinc/19/99/28/571199928.db2.gz WWTSDFGUOHJVCN-UHFFFAOYSA-N 1 0 360.458 3.664 50 0 FHAARO O=c1[nH]c(-c2cccc(Cl)c2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000073696356 571200857 /nfs/dbraw/zinc/20/08/57/571200857.db2.gz RIAFEAWHWOQIOS-UHFFFAOYSA-N 1 0 351.837 3.649 50 0 FHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1ncc(F)cc1F ZINC000299792501 571201242 /nfs/dbraw/zinc/20/12/42/571201242.db2.gz FIDSILHCSMKXSM-GOSISDBHSA-N 1 0 359.420 3.707 50 0 FHAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3ccc(-c4cnco4)s3)cc2)C1 ZINC000534577211 571204645 /nfs/dbraw/zinc/20/46/45/571204645.db2.gz PCPHACLYMVAMII-INIZCTEOSA-N 1 0 367.474 3.846 50 0 FHAARO CN(Cc1ccoc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000534587748 571205335 /nfs/dbraw/zinc/20/53/35/571205335.db2.gz ADBSWMZZJNKARR-SFHVURJKSA-N 1 0 361.873 3.912 50 0 FHAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000076954670 571205376 /nfs/dbraw/zinc/20/53/76/571205376.db2.gz MLEZHUHBKFFXQQ-QGZVFWFLSA-N 1 0 350.422 3.520 50 0 FHAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000076954672 571205408 /nfs/dbraw/zinc/20/54/08/571205408.db2.gz MLEZHUHBKFFXQQ-KRWDZBQOSA-N 1 0 350.422 3.520 50 0 FHAARO CSc1ccc(C(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)cc1 ZINC000077287798 571206211 /nfs/dbraw/zinc/20/62/11/571206211.db2.gz KEXYFDFYGFDAPD-UHFFFAOYSA-N 1 0 355.507 3.540 50 0 FHAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(-c3[nH]cnc3-c3ccccc3)c2)C1 ZINC000534642151 571206340 /nfs/dbraw/zinc/20/63/40/571206340.db2.gz STOKXJDMUNWSGC-LJQANCHMSA-N 1 0 360.461 3.520 50 0 FHAARO Cc1c2cc(CNC(=O)[C@H]3CC[NH2+]C3)ccc2[nH]c1-c1ccccc1F ZINC000077299367 571206735 /nfs/dbraw/zinc/20/67/35/571206735.db2.gz SIMIDHFXMKORBF-HNNXBMFYSA-N 1 0 351.425 3.508 50 0 FHAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2ccc3cnc(N)cc3c2)cc1 ZINC000534666875 571208360 /nfs/dbraw/zinc/20/83/60/571208360.db2.gz APVDXEDOIFERGV-OAQYLSRUSA-N 1 0 374.488 3.528 50 0 FHAARO Cc1cccc2[nH]nc(-c3cccc(C(=O)NCC[C@H]4CCC[N@H+]4C)c3)c21 ZINC000534669328 571208703 /nfs/dbraw/zinc/20/87/03/571208703.db2.gz LOBAHGLALSBEGD-GOSISDBHSA-N 1 0 362.477 3.752 50 0 FHAARO CC(C)[C@H](CNC(=O)c1ncoc1-c1cccs1)[NH+]1CCC(C)CC1 ZINC000078562071 571212146 /nfs/dbraw/zinc/21/21/46/571212146.db2.gz BOBLRSNWNNTNSW-HNNXBMFYSA-N 1 0 361.511 3.889 50 0 FHAARO CC(C)c1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023127414 571217395 /nfs/dbraw/zinc/21/73/95/571217395.db2.gz QUGWKYPKCSJUQS-UHFFFAOYSA-N 1 0 371.525 3.519 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cnn(-c4ccc(C(C)C)cc4)c3)[C@H]1C[C@@H](O)CC2 ZINC000426428303 571224181 /nfs/dbraw/zinc/22/41/81/571224181.db2.gz SZRPYZSAPLNGMA-FDFHNCONSA-N 1 0 369.509 3.500 50 0 FHAARO CC[N@@H+]1CC[C@H](CNC(=O)N2CCC(Sc3ccc(C)cc3)CC2)C1 ZINC000426442549 571225761 /nfs/dbraw/zinc/22/57/61/571225761.db2.gz NEKYYDCDHKVZIJ-QGZVFWFLSA-N 1 0 361.555 3.603 50 0 FHAARO COc1cccc(-c2ncc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)s2)c1 ZINC000082099266 571228126 /nfs/dbraw/zinc/22/81/26/571228126.db2.gz ITGSNCBBDLCJMY-MRXNPFEDSA-N 1 0 374.506 3.637 50 0 FHAARO C[C@@H](c1ccc(-c2ccc(NS(C)(=O)=O)nc2)cc1)[NH+]1CCCCC1 ZINC000426508109 571228887 /nfs/dbraw/zinc/22/88/87/571228887.db2.gz PMXZRDHRUSOTHI-HNNXBMFYSA-N 1 0 359.495 3.667 50 0 FHAARO C[C@H](c1ccc(-c2ccc(NS(C)(=O)=O)nc2)cc1)[NH+]1CCCCC1 ZINC000426508110 571228967 /nfs/dbraw/zinc/22/89/67/571228967.db2.gz PMXZRDHRUSOTHI-OAHLLOKOSA-N 1 0 359.495 3.667 50 0 FHAARO CO[C@]12CC[N@H+](Cc3ccc(F)cc3F)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426514456 571229583 /nfs/dbraw/zinc/22/95/83/571229583.db2.gz ADWPMMFWMCXQDI-YZGWKJHDSA-N 1 0 351.437 3.903 50 0 FHAARO CN(CC[C@H](O)c1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CCCC1 ZINC000426527647 571230079 /nfs/dbraw/zinc/23/00/79/571230079.db2.gz CVAHIRRADUBFNM-FQEVSTJZSA-N 1 0 373.541 3.550 50 0 FHAARO [NH3+]CCOc1cccc(CC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c1 ZINC000426528159 571230334 /nfs/dbraw/zinc/23/03/34/571230334.db2.gz YOKKGOGMSMUPTA-OAQYLSRUSA-N 1 0 370.468 3.850 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccnc3SC)cc2C)CC1 ZINC000011323949 571232249 /nfs/dbraw/zinc/23/22/49/571232249.db2.gz BJFXZYZWRWDEKX-UHFFFAOYSA-N 1 0 370.522 3.506 50 0 FHAARO [NH3+]Cc1nnc(SCC2CCC(F)(F)CC2)n1Cc1ccccc1 ZINC000426599755 571233123 /nfs/dbraw/zinc/23/31/23/571233123.db2.gz OZISIDNEYWLNQE-UHFFFAOYSA-N 1 0 352.454 3.703 50 0 FHAARO CCc1oc2c(cccc2NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1C ZINC000426613551 571233303 /nfs/dbraw/zinc/23/33/03/571233303.db2.gz FDPLGZLDUFMDTN-MRXNPFEDSA-N 1 0 373.497 3.878 50 0 FHAARO Cc1ncsc1CN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000426618057 571233307 /nfs/dbraw/zinc/23/33/07/571233307.db2.gz CRHXXTSDHUZYDD-GOSISDBHSA-N 1 0 372.538 3.505 50 0 FHAARO O=C(NCC[NH+]1CCCC1)c1ccc(-c2ccc(C(F)(F)F)nc2)cc1 ZINC000426658570 571234401 /nfs/dbraw/zinc/23/44/01/571234401.db2.gz ZRPXPUOJOFUZOV-UHFFFAOYSA-N 1 0 363.383 3.593 50 0 FHAARO COc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)cc1C ZINC000426716214 571236449 /nfs/dbraw/zinc/23/64/49/571236449.db2.gz WFUQSDGAFLJOAC-ILWGZMRPSA-N 1 0 359.510 3.942 50 0 FHAARO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000426746086 571236831 /nfs/dbraw/zinc/23/68/31/571236831.db2.gz LDHXOMCMZWCTKI-MRXNPFEDSA-N 1 0 374.387 3.629 50 0 FHAARO c1csc([C@@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)N2CCCC2)c1 ZINC000023248931 571237500 /nfs/dbraw/zinc/23/75/00/571237500.db2.gz GJCPGPGNOJJHOW-LJQANCHMSA-N 1 0 352.507 3.861 50 0 FHAARO CC[C@@H](C)Oc1c(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)cccc1OC ZINC000091350578 571239214 /nfs/dbraw/zinc/23/92/14/571239214.db2.gz UJTHVGJZEZOOHU-QGZVFWFLSA-N 1 0 374.525 3.707 50 0 FHAARO CCOc1ccc(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)c(OCC)c1C ZINC000091434880 571239620 /nfs/dbraw/zinc/23/96/20/571239620.db2.gz YVLAIXHROZOIPN-UHFFFAOYSA-N 1 0 374.525 3.627 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccccn3)CC2)C1 ZINC000091486912 571240038 /nfs/dbraw/zinc/24/00/38/571240038.db2.gz JQIAAHRSDPRNGN-FQEVSTJZSA-N 1 0 363.505 3.813 50 0 FHAARO CCc1ncc(C[N@@H+]2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)cn1 ZINC000091486838 571240139 /nfs/dbraw/zinc/24/01/39/571240139.db2.gz PGCJPUSQUDKFMG-OAQYLSRUSA-N 1 0 353.466 3.613 50 0 FHAARO Cc1ccc(-c2cc(C[N@H+]3CC[C@@]4(C3)CCCN(C(C)C)C4=O)on2)cc1 ZINC000091617057 571241265 /nfs/dbraw/zinc/24/12/65/571241265.db2.gz WMVQHWDTUIMGHI-JOCHJYFZSA-N 1 0 367.493 3.873 50 0 FHAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C)s1)CC2 ZINC000091625743 571241579 /nfs/dbraw/zinc/24/15/79/571241579.db2.gz VBZCGVJPWCTIRF-UHFFFAOYSA-N 1 0 372.538 3.569 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cccnc3)CC2)C1 ZINC000091657317 571242055 /nfs/dbraw/zinc/24/20/55/571242055.db2.gz ALKDNTYOIKBSIQ-OAQYLSRUSA-N 1 0 363.505 3.813 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ncoc3C)CC2)C1 ZINC000091693923 571242574 /nfs/dbraw/zinc/24/25/74/571242574.db2.gz JEZONQFNQUOOJI-LJQANCHMSA-N 1 0 367.493 3.715 50 0 FHAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccccc1OC(F)(F)F ZINC000091745230 571243237 /nfs/dbraw/zinc/24/32/37/571243237.db2.gz KYUIMDMDZVCTPS-OAHLLOKOSA-N 1 0 358.404 3.508 50 0 FHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000036875691 571263655 /nfs/dbraw/zinc/26/36/55/571263655.db2.gz RMTBKHOIAQTAFM-ZDUSSCGKSA-N 1 0 365.296 3.515 50 0 FHAARO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2n[nH]c3c2cccc3Cl)c1 ZINC000170593839 571266224 /nfs/dbraw/zinc/26/62/24/571266224.db2.gz QJSAGYPHURWALV-RYUDHWBXSA-N 1 0 372.856 3.903 50 0 FHAARO CC[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)CCOC(C)C ZINC000170606312 571267291 /nfs/dbraw/zinc/26/72/91/571267291.db2.gz PMLHUGUIJCYXHG-LBPRGKRZSA-N 1 0 350.322 3.509 50 0 FHAARO O[C@@H](C[NH2+]Cc1ccc(F)cc1F)COc1ccc(C(F)(F)F)cc1 ZINC000238040696 571277362 /nfs/dbraw/zinc/27/73/62/571277362.db2.gz XQBPEKOWCXZZSH-AWEZNQCLSA-N 1 0 361.310 3.513 50 0 FHAARO Fc1ccc(Oc2cc(N3CC[NH+](C4CCCC4)CC3)ncn2)c(F)c1 ZINC000037376471 571279494 /nfs/dbraw/zinc/27/94/94/571279494.db2.gz OWDPJHZQRGMNRH-UHFFFAOYSA-N 1 0 360.408 3.612 50 0 FHAARO CC(C)N(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cn1 ZINC000252497003 571281086 /nfs/dbraw/zinc/28/10/86/571281086.db2.gz PXHYNKAJSZBMKZ-QGZVFWFLSA-N 1 0 351.853 3.542 50 0 FHAARO CN1N=C2/C(=C/c3ccc(F)cc3)C[N@@H+](C)C[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000252609272 571285070 /nfs/dbraw/zinc/28/50/70/571285070.db2.gz HQRADAGJSNDTOS-VWTPCGADSA-N 1 0 353.416 3.953 50 0 FHAARO CC(C)(C)C1CCN(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000253418166 571312764 /nfs/dbraw/zinc/31/27/64/571312764.db2.gz APEHGRIJQPYJHY-UHFFFAOYSA-N 1 0 361.534 3.659 50 0 FHAARO COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000253430258 571313379 /nfs/dbraw/zinc/31/33/79/571313379.db2.gz VXMIVUOBWZQDPM-AWEZNQCLSA-N 1 0 359.388 3.793 50 0 FHAARO C[NH+](C)[C@H]1CCCN(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000584885170 571313607 /nfs/dbraw/zinc/31/36/07/571313607.db2.gz HZOIUMKREXLNHM-IBGZPJMESA-N 1 0 361.505 3.763 50 0 FHAARO CN(C/C=C/c1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000584894091 571315081 /nfs/dbraw/zinc/31/50/81/571315081.db2.gz UNOGFNOHUMQDKA-JOCSGSGBSA-N 1 0 367.493 3.846 50 0 FHAARO C[C@@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)C1 ZINC000013147431 571323126 /nfs/dbraw/zinc/32/31/26/571323126.db2.gz ZPVUAOURUGLWNO-IIBYNOLFSA-N 1 0 366.461 3.870 50 0 FHAARO CC[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000095404814 571329357 /nfs/dbraw/zinc/32/93/57/571329357.db2.gz UCHGZMFBWCEKSC-UTKZUKDTSA-N 1 0 367.493 3.663 50 0 FHAARO O=C(c1ccoc1)N1CCC([NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000095419293 571329438 /nfs/dbraw/zinc/32/94/38/571329438.db2.gz JXIUCWWYELNAGZ-NRFANRHFSA-N 1 0 361.445 3.658 50 0 FHAARO Cn1cccc1[C@H](O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000095454566 571329952 /nfs/dbraw/zinc/32/99/52/571329952.db2.gz JVBWIINQDGOZEU-UYAOXDASSA-N 1 0 355.869 3.681 50 0 FHAARO CC(C)c1nn(C)cc1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000095453827 571329958 /nfs/dbraw/zinc/32/99/58/571329958.db2.gz BOJLMDFJTFXRSD-UHFFFAOYSA-N 1 0 354.542 3.684 50 0 FHAARO COc1cc(OC)cc(N2CC[C@H]([NH2+]CC(C)(C)c3ccccc3)C2)c1 ZINC000095464133 571330358 /nfs/dbraw/zinc/33/03/58/571330358.db2.gz IAEPOJGWLMFKBD-SFHVURJKSA-N 1 0 354.494 3.850 50 0 FHAARO Cc1ncc(C[NH2+]C(C)C)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000095472712 571330718 /nfs/dbraw/zinc/33/07/18/571330718.db2.gz VJMQKTSHWSQPDN-UHFFFAOYSA-N 1 0 366.417 3.636 50 0 FHAARO O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000020532027 571330753 /nfs/dbraw/zinc/33/07/53/571330753.db2.gz OGBIPSKJUGHFHT-UHFFFAOYSA-N 1 0 359.558 3.863 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000095473629 571330827 /nfs/dbraw/zinc/33/08/27/571330827.db2.gz UHJPXULDELKMGQ-AZUAARDMSA-N 1 0 373.928 3.916 50 0 FHAARO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000095964902 571333129 /nfs/dbraw/zinc/33/31/29/571333129.db2.gz JZPWWFKOFOUMQN-CVDCTZTESA-N 1 0 360.505 3.542 50 0 FHAARO COC(=O)CCCN1CCC([NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000095986442 571333490 /nfs/dbraw/zinc/33/34/90/571333490.db2.gz NKLNROKCUHYQHU-RBBKRZOGSA-N 1 0 372.553 3.795 50 0 FHAARO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000095995890 571333644 /nfs/dbraw/zinc/33/36/44/571333644.db2.gz PFOMGEWYUKZWKV-PXAZEXFGSA-N 1 0 371.308 3.894 50 0 FHAARO CC[NH2+]CCCC[C@]1(c2ccccc2)c2ccccc2N(N(C)C)C1=O ZINC000096027497 571334131 /nfs/dbraw/zinc/33/41/31/571334131.db2.gz XNFIIYPHZVHKAY-QFIPXVFZSA-N 1 0 351.494 3.576 50 0 FHAARO Cn1cc([C@@H](CNC(=O)Nc2c(F)cccc2F)[NH+](C)C)c2ccccc21 ZINC000096096350 571334225 /nfs/dbraw/zinc/33/42/25/571334225.db2.gz LJIGPZPDGSWNSV-GOSISDBHSA-N 1 0 372.419 3.881 50 0 FHAARO COc1cc([C@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)cc(OC)c1O ZINC000021658076 571335388 /nfs/dbraw/zinc/33/53/88/571335388.db2.gz AEQOKEOEVQQYRD-QGZVFWFLSA-N 1 0 358.825 3.779 50 0 FHAARO Cc1ccccc1-c1noc2ncnc(NCC[NH+]3CCC(C)CC3)c21 ZINC000021714644 571335655 /nfs/dbraw/zinc/33/56/55/571335655.db2.gz XGQJAHDAYAUWTG-UHFFFAOYSA-N 1 0 351.454 3.737 50 0 FHAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000226848129 571342327 /nfs/dbraw/zinc/34/23/27/571342327.db2.gz NRDGTPOHGOVPBK-YJBOKZPZSA-N 1 0 372.900 3.724 50 0 FHAARO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c2cc(F)ccc2n1 ZINC000504700710 571348889 /nfs/dbraw/zinc/34/88/89/571348889.db2.gz IWGOGVQXAIAKHJ-QRWLVFNGSA-N 1 0 355.457 3.677 50 0 FHAARO O=C(NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1onc2c1CCCC2 ZINC000670448660 571351629 /nfs/dbraw/zinc/35/16/29/571351629.db2.gz DYZSQIVWWOERSA-SFHVURJKSA-N 1 0 367.493 3.728 50 0 FHAARO Cc1cc(C)c(S(=O)(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c(C)c1 ZINC000032441268 571357576 /nfs/dbraw/zinc/35/75/76/571357576.db2.gz RCMDTEXFPULABL-UHFFFAOYSA-N 1 0 374.550 3.931 50 0 FHAARO c1ccc(-c2nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc3ccccc32)cc1 ZINC000012803709 721908337 /nfs/dbraw/zinc/90/83/37/721908337.db2.gz WZJYJKCGVZHAEQ-IBGZPJMESA-N 1 0 374.488 3.598 50 0 FHAARO O=C(NCCNc1cccnc1)c1ccc([C@H]2CCC[N@@H+]2CC2CC2)s1 ZINC000023153435 937080778 /nfs/dbraw/zinc/08/07/78/937080778.db2.gz VQCBVPCSYOMOEK-QGZVFWFLSA-N 1 0 370.522 3.532 50 0 FHAARO Cc1cc(C)n([C@@H](C)C[NH2+]C2CCN(c3cc(C(C)C)nc(C)n3)CC2)n1 ZINC000096152900 939202364 /nfs/dbraw/zinc/20/23/64/939202364.db2.gz PTQHGOINNPRFJV-KRWDZBQOSA-N 1 0 370.545 3.541 50 0 FHAARO CCSc1ncc(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cn1 ZINC000023375141 940296804 /nfs/dbraw/zinc/29/68/04/940296804.db2.gz XMEARJVAAGECHE-FQEVSTJZSA-N 1 0 370.566 3.728 50 0 FHAARO C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000177620298 940316282 /nfs/dbraw/zinc/31/62/82/940316282.db2.gz VIOAMIDONNCJLA-GFCCVEGCSA-N 1 0 371.403 3.572 50 0 FHAARO c1ccc(-c2nc(C3CC3)no2)c(O[C@H]2CC[N@@H+](Cc3ccncc3)C2)c1 ZINC000581790077 940600440 /nfs/dbraw/zinc/60/04/40/940600440.db2.gz JDOIRWBHZKNDBQ-KRWDZBQOSA-N 1 0 362.433 3.662 50 0 FHAARO O=C1N(C2CC[NH+](C3CCOCC3)CC2)[C@H](c2ccccc2)C12CCCC2 ZINC000581800034 940608610 /nfs/dbraw/zinc/60/86/10/940608610.db2.gz CPMPZJMBVSTSPF-OAQYLSRUSA-N 1 0 368.521 3.774 50 0 FHAARO COc1cccc(CN2CCC[C@H]([NH2+]Cc3cccc4ncccc34)C2)c1 ZINC000019794997 941856606 /nfs/dbraw/zinc/85/66/06/941856606.db2.gz LQWKYJBPESNQEY-FQEVSTJZSA-N 1 0 361.489 3.998 50 0 FHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](C)N2CCc3ccccc3C2)o1 ZINC000079915855 942098150 /nfs/dbraw/zinc/09/81/50/942098150.db2.gz ZBAWTLDXHRNPDJ-HNNXBMFYSA-N 1 0 350.466 3.515 50 0 FHAARO COc1cccc(CCC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)CC2)c1 ZINC000257178810 942533580 /nfs/dbraw/zinc/53/35/80/942533580.db2.gz CCSUNABGMSUATO-OAQYLSRUSA-N 1 0 372.553 3.988 50 0 FHAARO O=C(c1ccsc1)N1CCC2(CC1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000257193236 942668495 /nfs/dbraw/zinc/66/84/95/942668495.db2.gz RLGHQPONYPHLEA-UHFFFAOYSA-N 1 0 351.475 3.507 50 0 FHAARO CC[NH+]1CCC([C@H]2c3nccn3CCCN2CCc2ccccc2)CC1 ZINC000257193319 942669848 /nfs/dbraw/zinc/66/98/48/942669848.db2.gz YAMKMAOAHWLRBM-NRFANRHFSA-N 1 0 352.526 3.605 50 0 FHAARO O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CC[NH+](C2CC2)CC1 ZINC000195269744 943854076 /nfs/dbraw/zinc/85/40/76/943854076.db2.gz ZJTGXBAENVESGM-UHFFFAOYSA-N 1 0 363.433 3.901 50 0 FHAARO CCCC[C@H]1C[N@H+](CCC(=O)NCc2ccco2)Cc2ccccc2O1 ZINC000014883970 945641438 /nfs/dbraw/zinc/64/14/38/945641438.db2.gz RHKXWBHIXSKJLJ-IBGZPJMESA-N 1 0 356.466 3.739 50 0 FHAARO CCOc1ccc2c(c1)CN([C@H](C)c1nc(-c3cccnc3)no1)CC2 ZINC000112978069 947000875 /nfs/dbraw/zinc/00/08/75/947000875.db2.gz PYTZBGRKNDRARJ-CQSZACIVSA-N 1 0 350.422 3.650 50 0 FHAARO Cn1c2ccccc2nc1-c1cccc(NC(=O)C[C@H]2CC[NH2+]C[C@@H]2F)c1 ZINC000888102000 948458251 /nfs/dbraw/zinc/45/82/51/948458251.db2.gz SWAHNLBPBNTMLL-PBHICJAKSA-N 1 0 366.440 3.517 50 0 FHAARO O[C@@H](CN1c2ccccc2N2CCC[NH+]=C12)c1ccc(Br)cc1 ZINC000001177304 219385470 /nfs/dbraw/zinc/38/54/70/219385470.db2.gz FWZVJGFCJLYIQD-KRWDZBQOSA-N 1 0 372.266 3.569 50 0 FHAARO Cc1cc(OC(=O)[C@H]2CC[C@H](C[NH3+])CC2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000245326426 203905402 /nfs/dbraw/zinc/90/54/02/203905402.db2.gz JWWMDJINDCECMT-SHTZXODSSA-N 1 0 369.461 3.651 50 0 FHAARO O=C(NCCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000001179416 203991303 /nfs/dbraw/zinc/99/13/03/203991303.db2.gz PSWXSRACMHPOIF-UHFFFAOYSA-N 1 0 356.897 3.911 50 0 FHAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000000785800 203948816 /nfs/dbraw/zinc/94/88/16/203948816.db2.gz VAWARZYJICFZJW-UHFFFAOYSA-N 1 0 350.506 3.990 50 0 FHAARO COc1ccccc1C[NH+]1CCC(C(=O)N(C)Cc2ccccc2)CC1 ZINC000000785801 203949176 /nfs/dbraw/zinc/94/91/76/203949176.db2.gz LENSAMRKUKNAAE-UHFFFAOYSA-N 1 0 352.478 3.566 50 0 FHAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[NH2+]CC(C)C ZINC000001466012 204008974 /nfs/dbraw/zinc/00/89/74/204008974.db2.gz JLNMTALLPBETBH-UHFFFAOYSA-N 1 0 360.479 3.776 50 0 FHAARO CC(C)[NH+](CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C ZINC000001692946 204017283 /nfs/dbraw/zinc/01/72/83/204017283.db2.gz NHFIEMNGVIAFJO-UHFFFAOYSA-N 1 0 355.478 3.585 50 0 FHAARO Cc1ccccc1C(=O)c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000002514714 204042989 /nfs/dbraw/zinc/04/29/89/204042989.db2.gz VDENTMPRWGHSAO-UHFFFAOYSA-N 1 0 351.446 3.565 50 0 FHAARO CCCCOc1cc(Br)c(C[NH2+][C@@H](CC)CO)cc1OCC ZINC000002891127 204065793 /nfs/dbraw/zinc/06/57/93/204065793.db2.gz ZENJSIHYUIRPIZ-AWEZNQCLSA-N 1 0 374.319 3.887 50 0 FHAARO CCCCOc1cc(Br)c(C[NH2+][C@H](CC)CO)cc1OCC ZINC000002891128 204065843 /nfs/dbraw/zinc/06/58/43/204065843.db2.gz ZENJSIHYUIRPIZ-CQSZACIVSA-N 1 0 374.319 3.887 50 0 FHAARO CCc1cccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccncc2)c1 ZINC000003049890 204075324 /nfs/dbraw/zinc/07/53/24/204075324.db2.gz DORMLFPPDLYBDV-MRXNPFEDSA-N 1 0 356.539 3.966 50 0 FHAARO CC(C)OCCC[NH+](C[C@H](O)c1ccccc1)C[C@H](O)c1ccccc1 ZINC000003282801 204086550 /nfs/dbraw/zinc/08/65/50/204086550.db2.gz KBGOHFFRCGJDDE-VXKWHMMOSA-N 1 0 357.494 3.571 50 0 FHAARO CCCCC[NH2+]CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000002641374 204049352 /nfs/dbraw/zinc/04/93/52/204049352.db2.gz MPLGUYKURMZOQS-UHFFFAOYSA-N 1 0 369.465 3.666 50 0 FHAARO COc1ccccc1NC(=S)N(CC[NH+]1CCCCC1)Cc1ccco1 ZINC000003665530 204110451 /nfs/dbraw/zinc/11/04/51/204110451.db2.gz ILMPOBURNBJIAV-UHFFFAOYSA-N 1 0 373.522 3.973 50 0 FHAARO C[NH+](C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1 ZINC000003929366 204117351 /nfs/dbraw/zinc/11/73/51/204117351.db2.gz GKWHICIUSVVNGX-MRXNPFEDSA-N 1 0 351.425 3.978 50 0 in-vitro FHAARO CC(C)(CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000004222999 204126838 /nfs/dbraw/zinc/12/68/38/204126838.db2.gz RJAPAJNDQQTHRE-UHFFFAOYSA-N 1 0 364.283 3.889 50 0 FHAARO COc1ccccc1[C@H](CNC(=S)NC1CCCCC1)[NH+]1CCCC1 ZINC000003351573 204093285 /nfs/dbraw/zinc/09/32/85/204093285.db2.gz FCPHBKZXAGAZGV-SFHVURJKSA-N 1 0 361.555 3.629 50 0 FHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 ZINC000003347158 204093983 /nfs/dbraw/zinc/09/39/83/204093983.db2.gz IQQGGSNCZZANSZ-MRXNPFEDSA-N 1 0 371.477 4.000 50 0 FHAARO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CCCN(C)c1ccccc1 ZINC000003441465 204100684 /nfs/dbraw/zinc/10/06/84/204100684.db2.gz SXDSPCUKFCRDRT-FQEVSTJZSA-N 1 0 356.510 3.666 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000003437587 204100872 /nfs/dbraw/zinc/10/08/72/204100872.db2.gz ZMHWYGWVWWUMJD-KRWDZBQOSA-N 1 0 351.277 3.955 50 0 FHAARO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003434597 204100988 /nfs/dbraw/zinc/10/09/88/204100988.db2.gz WVFZAFPLXLNKJY-INIZCTEOSA-N 1 0 366.461 3.697 50 0 FHAARO Cc1ccc([C@H](CC(=O)N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c2ccco2)cc1 ZINC000004812402 204165074 /nfs/dbraw/zinc/16/50/74/204165074.db2.gz ALGBIQNSNSQKKV-QGZVKYPTSA-N 1 0 354.494 3.955 50 0 FHAARO CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)cc1 ZINC000004556443 204146466 /nfs/dbraw/zinc/14/64/66/204146466.db2.gz DMTWDZFBGCKDMW-KRWDZBQOSA-N 1 0 357.479 3.954 50 0 FHAARO COc1ccc(Nc2ncnc3c2c(C)c(C)n3CCC[NH+](C)C)cc1 ZINC000005346971 204205131 /nfs/dbraw/zinc/20/51/31/204205131.db2.gz LJYIVWGXCMEYPP-UHFFFAOYSA-N 1 0 353.470 3.752 50 0 FHAARO CN(C(=O)c1cccnc1-c1nc2ccccc2s1)C1CC[NH+](C)CC1 ZINC000005429048 204208156 /nfs/dbraw/zinc/20/81/56/204208156.db2.gz HJCFSWLKPCZQIK-UHFFFAOYSA-N 1 0 366.490 3.525 50 0 FHAARO Cc1ccc(C2=NN(C(=O)CC[NH+]3CCCC3)[C@H](c3ccco3)C2)cc1 ZINC000004897836 204173316 /nfs/dbraw/zinc/17/33/16/204173316.db2.gz JXJRLWASGFFJBH-IBGZPJMESA-N 1 0 351.450 3.752 50 0 FHAARO Cc1cc(C)c(C)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000004988189 204183035 /nfs/dbraw/zinc/18/30/35/204183035.db2.gz VGNMNWUCYGABIS-UHFFFAOYSA-N 1 0 352.544 3.508 50 0 FHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)/C=C/c1ccc(F)cc1 ZINC000005021017 204185199 /nfs/dbraw/zinc/18/51/99/204185199.db2.gz HVZOTFSHGDXUMP-LNTYHFEGSA-N 1 0 350.437 3.982 50 0 FHAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(C)o3)=NN12 ZINC000005093372 204191402 /nfs/dbraw/zinc/19/14/02/204191402.db2.gz VRCSSUFNQVRNTF-SFHVURJKSA-N 1 0 351.450 3.944 50 0 FHAARO COc1ccc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)[nH]c2c1 ZINC000005245154 204199408 /nfs/dbraw/zinc/19/94/08/204199408.db2.gz AAVVOOXAZDLQHS-UHFFFAOYSA-N 1 0 363.461 3.571 50 0 FHAARO CC(=O)Nc1ccc(C(=S)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000005937723 204231342 /nfs/dbraw/zinc/23/13/42/204231342.db2.gz JMMPYPHICOGGOD-GOSISDBHSA-N 1 0 371.506 3.730 50 0 FHAARO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1 ZINC000006256299 204241720 /nfs/dbraw/zinc/24/17/20/204241720.db2.gz ARYHBKZHNAUSLY-QGZVFWFLSA-N 1 0 357.479 3.952 50 0 FHAARO CCC[C@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+](C)C)c1ccccc1 ZINC000006934673 204282506 /nfs/dbraw/zinc/28/25/06/204282506.db2.gz BNSDOIQSEDKUGI-SFTDATJTSA-N 1 0 354.494 3.998 50 0 FHAARO CCOC(=O)C1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000006703526 204262660 /nfs/dbraw/zinc/26/26/60/204262660.db2.gz VEFRBIONWGVWQF-UHFFFAOYSA-N 1 0 359.388 3.749 50 0 FHAARO Cc1ccc([C@]2(CC[NH2+]CCCN3CCOCC3)CCOC(C)(C)C2)cc1 ZINC000006764437 204267393 /nfs/dbraw/zinc/26/73/93/204267393.db2.gz YSJQWRGABJJOQC-HSZRJFAPSA-N 1 0 374.569 3.524 50 0 FHAARO CC[NH+](CC)CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000006806215 204272334 /nfs/dbraw/zinc/27/23/34/204272334.db2.gz RNMSCFVUODGECA-UHFFFAOYSA-N 1 0 374.554 3.748 50 0 FHAARO COc1ccc(/C=C\C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000008320462 204326316 /nfs/dbraw/zinc/32/63/16/204326316.db2.gz BDEKRAAFNLQIJJ-PDJYDNKNSA-N 1 0 362.473 3.851 50 0 FHAARO CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008326285 204327658 /nfs/dbraw/zinc/32/76/58/204327658.db2.gz VHJZYYOBJYEKHQ-INIZCTEOSA-N 1 0 367.848 3.927 50 0 FHAARO COc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1c(F)cccc1Cl ZINC000008535074 204333577 /nfs/dbraw/zinc/33/35/77/204333577.db2.gz QRXBIUOYOXHVTF-GFCCVEGCSA-N 1 0 353.821 3.537 50 0 FHAARO COc1ccc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc1 ZINC000007538547 204300153 /nfs/dbraw/zinc/30/01/53/204300153.db2.gz JXXJHPTUSDDKAB-UHFFFAOYSA-N 1 0 366.255 3.765 50 0 FHAARO C[NH+](C)C1(CNC(=O)Cc2csc(-c3ccccc3)n2)CCCCC1 ZINC000009053270 204353600 /nfs/dbraw/zinc/35/36/00/204353600.db2.gz HFVWIJHXOPQINQ-UHFFFAOYSA-N 1 0 357.523 3.733 50 0 FHAARO Cc1ccc2c(CC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)coc2c1 ZINC000009217445 204358309 /nfs/dbraw/zinc/35/83/09/204358309.db2.gz UZKIGPBXJODDAS-GOSISDBHSA-N 1 0 352.434 3.830 50 0 FHAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000009449870 204368894 /nfs/dbraw/zinc/36/88/94/204368894.db2.gz IWASLNGUOHRSCJ-UHFFFAOYSA-N 1 0 354.450 3.942 50 0 FHAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1ccccc1 ZINC000011663151 204410057 /nfs/dbraw/zinc/41/00/57/204410057.db2.gz POBLCNRPBVYFPR-UHFFFAOYSA-N 1 0 354.469 3.852 50 0 FHAARO C[C@@H](CNC(=S)NCCSc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000036847492 204393960 /nfs/dbraw/zinc/39/39/60/204393960.db2.gz VLNDUWHWWIRHLU-HOTGVXAUSA-N 1 0 351.585 3.506 50 0 FHAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1cccc(C)c1 ZINC000010314083 204394132 /nfs/dbraw/zinc/39/41/32/204394132.db2.gz ZYAHRXAWYCDNDY-UHFFFAOYSA-N 1 0 365.477 3.959 50 0 FHAARO OCCOCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000010435683 204395383 /nfs/dbraw/zinc/39/53/83/204395383.db2.gz XAJROZBFVOLUFR-UHFFFAOYSA-N 1 0 370.276 3.671 50 0 FHAARO OCCOCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000010435709 204395474 /nfs/dbraw/zinc/39/54/74/204395474.db2.gz DDWZNEYEDTWDDZ-UHFFFAOYSA-N 1 0 370.276 3.671 50 0 FHAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCOCCO)cc1 ZINC000010436338 204395788 /nfs/dbraw/zinc/39/57/88/204395788.db2.gz PRALSKSFLKEYSI-UHFFFAOYSA-N 1 0 365.473 3.826 50 0 FHAARO CC(C)n1cc(Br)cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000036859491 204397279 /nfs/dbraw/zinc/39/72/79/204397279.db2.gz UZZFKSYTTNZGNM-UHFFFAOYSA-N 1 0 358.324 3.680 50 0 FHAARO O=C1CC[N@H+](C2C3CC4CC(C3)CC2C4)CCN1Cc1ccc(F)cc1 ZINC000012217198 204443503 /nfs/dbraw/zinc/44/35/03/204443503.db2.gz IPLNJVWZOAIAMP-UHFFFAOYSA-N 1 0 356.485 3.685 50 0 FHAARO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)n1C1CC1 ZINC000014237416 204576378 /nfs/dbraw/zinc/57/63/78/204576378.db2.gz GYJQJXRYTQZIPJ-UHFFFAOYSA-N 1 0 351.494 3.966 50 0 FHAARO O=C(CCC1CC[NH+](C[C@@H]2CCOC2)CC1)Nc1ccccc1Cl ZINC000015063560 204601116 /nfs/dbraw/zinc/60/11/16/204601116.db2.gz FRHGMIMRBOKDBQ-INIZCTEOSA-N 1 0 350.890 3.807 50 0 FHAARO O=C(COc1ccccc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015860030 204624074 /nfs/dbraw/zinc/62/40/74/204624074.db2.gz LLJWBSVPIAGLTM-INIZCTEOSA-N 1 0 362.857 3.655 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCNc1ncnc2onc(-c3cc(F)cc(F)c3)c21 ZINC000021714772 204758327 /nfs/dbraw/zinc/75/83/27/204758327.db2.gz CPVLTIWGPOPIJS-GFCCVEGCSA-N 1 0 373.407 3.849 50 0 FHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(-c2ccccc2)on1 ZINC000021805588 204761418 /nfs/dbraw/zinc/76/14/18/204761418.db2.gz HFCZHGKQCSYCNH-KRWDZBQOSA-N 1 0 367.474 3.970 50 0 FHAARO CC[NH+]1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000032732000 204936288 /nfs/dbraw/zinc/93/62/88/204936288.db2.gz AZACARYPRQJGRJ-UHFFFAOYSA-N 1 0 355.463 3.770 50 0 FHAARO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@H]2CCCO2)cc1 ZINC000036031263 205001266 /nfs/dbraw/zinc/00/12/66/205001266.db2.gz FXBJOEJTYRHYCE-FCHUYYIVSA-N 1 0 369.505 3.724 50 0 FHAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(F)cc2F)C(C)C)cc1 ZINC000036104138 205005213 /nfs/dbraw/zinc/00/52/13/205005213.db2.gz KRISNQLOWVLBQE-QGZVFWFLSA-N 1 0 365.420 3.624 50 0 FHAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)C)cc1 ZINC000036102360 205005412 /nfs/dbraw/zinc/00/54/12/205005412.db2.gz UNNUUCFJELAQJG-HXUWFJFHSA-N 1 0 361.457 3.622 50 0 FHAARO CC[C@H](C)[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)COCc1ccco1 ZINC000036104151 205005869 /nfs/dbraw/zinc/00/58/69/205005869.db2.gz IOOGXHSFONREPU-YOEHRIQHSA-N 1 0 353.409 3.736 50 0 FHAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1C ZINC000036104704 205005974 /nfs/dbraw/zinc/00/59/74/205005974.db2.gz CMURVQSETCQOTQ-NRFANRHFSA-N 1 0 373.468 3.841 50 0 FHAARO CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145857 205007496 /nfs/dbraw/zinc/00/74/96/205007496.db2.gz XZLQKQCDIHCOQB-RTWAWAEBSA-N 1 0 370.468 3.982 50 0 FHAARO CCOC(=O)C1CC[NH+](Cc2cncc(-c3cc(F)cc(F)c3)c2)CC1 ZINC000037279051 205024746 /nfs/dbraw/zinc/02/47/46/205024746.db2.gz UXMYFNWTWPZJTJ-UHFFFAOYSA-N 1 0 360.404 3.802 50 0 FHAARO Cc1cc(C[NH+]2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)on1 ZINC000071890570 205029591 /nfs/dbraw/zinc/02/95/91/205029591.db2.gz APUUJBLVLOPEBM-QGZVFWFLSA-N 1 0 368.412 3.942 50 0 FHAARO Cn1cc([C@H](CNC(=O)c2cc3ccccc3o2)[NH+](C)C)c2ccccc21 ZINC000075149177 205034210 /nfs/dbraw/zinc/03/42/10/205034210.db2.gz IFRUZKKJWPPKRE-IBGZPJMESA-N 1 0 361.445 3.957 50 0 FHAARO CN(C(=O)C[NH+]1CCC(COCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000075156567 205035033 /nfs/dbraw/zinc/03/50/33/205035033.db2.gz AUDZRZYRHUSBOW-UHFFFAOYSA-N 1 0 370.468 3.717 50 0 FHAARO CCCOC(=O)c1ccc([C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000075279573 205036390 /nfs/dbraw/zinc/03/63/90/205036390.db2.gz AJSANCJOEUAIRK-OAQYLSRUSA-N 1 0 353.462 3.718 50 0 FHAARO Cc1noc2nc(C(C)C)cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c12 ZINC000079189777 205057167 /nfs/dbraw/zinc/05/71/67/205057167.db2.gz QRJDHANQBVZXPW-MAUKXSAKSA-N 1 0 370.497 3.649 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1cnc(-c2ccccc2)s1)c1ccsc1 ZINC000040108710 205057676 /nfs/dbraw/zinc/05/76/76/205057676.db2.gz CDAYPLRABVMEKJ-HNNXBMFYSA-N 1 0 357.504 3.904 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1N1CCCC1)c1ccc(F)cc1 ZINC000040152260 205059713 /nfs/dbraw/zinc/05/97/13/205059713.db2.gz UNRHLRFWMOOZDG-HXUWFJFHSA-N 1 0 370.472 3.850 50 0 FHAARO CCOc1cc(C[NH2+]CCO)ccc1OCc1ccc(F)cc1Cl ZINC000040737067 205079429 /nfs/dbraw/zinc/07/94/29/205079429.db2.gz ZISZFUYLYZRYNP-UHFFFAOYSA-N 1 0 353.821 3.539 50 0 FHAARO COc1cccc(C[NH2+]CCCCO)c1OCc1ccc(F)cc1Cl ZINC000040744166 205080146 /nfs/dbraw/zinc/08/01/46/205080146.db2.gz XMTZTBRREVMNDK-UHFFFAOYSA-N 1 0 367.848 3.929 50 0 FHAARO CCOc1cc(C[NH2+]CCCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000040744900 205080163 /nfs/dbraw/zinc/08/01/63/205080163.db2.gz QODHPKSWVXRVEH-UHFFFAOYSA-N 1 0 367.848 3.929 50 0 FHAARO COc1cc(C[NH2+]CCCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000040744904 205080213 /nfs/dbraw/zinc/08/02/13/205080213.db2.gz JCVIWNHKSUKNPM-UHFFFAOYSA-N 1 0 353.821 3.539 50 0 FHAARO C[NH+](C)C1(CNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CCCC1 ZINC000041671069 205092114 /nfs/dbraw/zinc/09/21/14/205092114.db2.gz ONVCOBQGBTXWIT-UHFFFAOYSA-N 1 0 365.477 3.543 50 0 FHAARO COc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1cccc(C)c1 ZINC000040719395 205077229 /nfs/dbraw/zinc/07/72/29/205077229.db2.gz MSBHDCFFPFDCTG-UHFFFAOYSA-N 1 0 365.477 3.959 50 0 FHAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]Cc3cccnc3)cc2)cc1 ZINC000040733019 205078485 /nfs/dbraw/zinc/07/84/85/205078485.db2.gz LTBGSTAYFMDUIH-UHFFFAOYSA-N 1 0 361.445 3.697 50 0 FHAARO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000044919778 205114227 /nfs/dbraw/zinc/11/42/27/205114227.db2.gz OZCZUKWPGODNDL-UHFFFAOYSA-N 1 0 366.505 3.922 50 0 FHAARO COc1ccc(Cl)cc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047325455 205144715 /nfs/dbraw/zinc/14/47/15/205144715.db2.gz VERJBJLSFRVWOR-UHFFFAOYSA-N 1 0 374.872 3.530 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cncc(-n2cccn2)n1 ZINC000048279141 205155123 /nfs/dbraw/zinc/15/51/23/205155123.db2.gz QKBVTQMPYTWGIH-QGZVFWFLSA-N 1 0 362.481 3.649 50 0 FHAARO Cc1ncsc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000048310262 205157605 /nfs/dbraw/zinc/15/76/05/205157605.db2.gz LBVNQKNSTYXOGM-GJZGRUSLSA-N 1 0 357.523 3.859 50 0 FHAARO COc1cc([C@H](C)[NH2+]Cc2cnc(N3CCCC3)nc2)ccc1OC(C)C ZINC000048710141 205166283 /nfs/dbraw/zinc/16/62/83/205166283.db2.gz JUXPBHJTMLTEQC-INIZCTEOSA-N 1 0 370.497 3.723 50 0 FHAARO Cc1ncsc1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048884312 205167016 /nfs/dbraw/zinc/16/70/16/205167016.db2.gz RJZLKWCQXHSUBV-GASCZTMLSA-N 1 0 357.523 3.859 50 0 FHAARO O=C(Cc1ccc(Cl)cc1)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000085473272 205170613 /nfs/dbraw/zinc/17/06/13/205170613.db2.gz GHTZAUMCOLJBBC-GOSISDBHSA-N 1 0 366.958 3.703 50 0 FHAARO COCC[N@H+](Cc1sccc1C)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055060919 205204467 /nfs/dbraw/zinc/20/44/67/205204467.db2.gz GITDXVQLZSNIQU-UHFFFAOYSA-N 1 0 360.454 3.686 50 0 FHAARO CSc1ccc(C[N@H+](CCO)Cc2ccccc2Cn2cccn2)cc1 ZINC000055196845 205210593 /nfs/dbraw/zinc/21/05/93/205210593.db2.gz ISSUDTRVWPHTIK-UHFFFAOYSA-N 1 0 367.518 3.648 50 0 FHAARO CC[C@@H](CO)[N@H+](Cc1cccs1)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000055243902 205211121 /nfs/dbraw/zinc/21/11/21/205211121.db2.gz HPXMUQLAAQSLTM-INIZCTEOSA-N 1 0 357.475 3.936 50 0 FHAARO NC(=O)CCn1cc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c2ccccc21 ZINC000055271347 205213232 /nfs/dbraw/zinc/21/32/32/205213232.db2.gz TUADWRRBOVYVHR-HXUWFJFHSA-N 1 0 362.477 3.639 50 0 FHAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cn(C)c3ccccc23)s1 ZINC000055271659 205213771 /nfs/dbraw/zinc/21/37/71/205213771.db2.gz GHAJJMWRLJAWAU-UHFFFAOYSA-N 1 0 355.507 3.752 50 0 FHAARO CC(C)[C@@H](C)N(Cc1ccco1)C(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC000055325804 205215183 /nfs/dbraw/zinc/21/51/83/205215183.db2.gz ISRZPQXWTYQFJM-GOSISDBHSA-N 1 0 369.509 4.000 50 0 FHAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(Br)cc1F ZINC000053271641 205191335 /nfs/dbraw/zinc/19/13/35/205191335.db2.gz PJKQIKHRMVCJNJ-UHFFFAOYSA-N 1 0 357.267 3.584 50 0 FHAARO COc1ccc([C@@H](C[NH2+]Cc2ccccc2Cl)N2CCOCC2)cc1 ZINC000057681585 205243878 /nfs/dbraw/zinc/24/38/78/205243878.db2.gz YJAJBGANORDIEV-HXUWFJFHSA-N 1 0 360.885 3.512 50 0 FHAARO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000057679523 205244046 /nfs/dbraw/zinc/24/40/46/205244046.db2.gz GQCDOMQAWPVHTN-CHWSQXEVSA-N 1 0 351.878 3.538 50 0 FHAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055415103 205219214 /nfs/dbraw/zinc/21/92/14/205219214.db2.gz LWVJJLQTTJYFSD-UHFFFAOYSA-N 1 0 354.425 3.624 50 0 FHAARO CCCc1noc(CCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000058161722 205252783 /nfs/dbraw/zinc/25/27/83/205252783.db2.gz CUGYAHXAWGESFZ-UHFFFAOYSA-N 1 0 356.470 3.579 50 0 FHAARO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000058167238 205252937 /nfs/dbraw/zinc/25/29/37/205252937.db2.gz BSQHYNDWYHMLJS-CQSZACIVSA-N 1 0 370.335 3.739 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000058229015 205264912 /nfs/dbraw/zinc/26/49/12/205264912.db2.gz IFIWSWYHHHQMII-CYBMUJFWSA-N 1 0 374.451 3.509 50 0 FHAARO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000058231113 205265830 /nfs/dbraw/zinc/26/58/30/205265830.db2.gz CNGFSAQPMHKKPM-UHFFFAOYSA-N 1 0 374.282 3.695 50 0 FHAARO C[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058391559 205274691 /nfs/dbraw/zinc/27/46/91/205274691.db2.gz IASXRXTXRKZBFR-HNNXBMFYSA-N 1 0 364.917 3.878 50 0 FHAARO O=C(Nc1ccc(Cc2ccncc2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058265894 205269199 /nfs/dbraw/zinc/26/91/99/205269199.db2.gz PIGASMKQMIEODG-OAQYLSRUSA-N 1 0 364.493 3.765 50 0 FHAARO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000058314999 205269540 /nfs/dbraw/zinc/26/95/40/205269540.db2.gz VSEJEDQLRNTEEE-INIZCTEOSA-N 1 0 360.457 3.973 50 0 FHAARO CC[NH+](CC)CCn1ccc2cc(NC(=O)Nc3cc(C)on3)ccc21 ZINC000058310059 205270630 /nfs/dbraw/zinc/27/06/30/205270630.db2.gz ORYDIOADGVZPNI-UHFFFAOYSA-N 1 0 355.442 3.924 50 0 FHAARO O=C(Nc1cccc(Cl)c1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000059916421 205283086 /nfs/dbraw/zinc/28/30/86/205283086.db2.gz PHCNISKFYNQKQB-UHFFFAOYSA-N 1 0 355.869 3.657 50 0 FHAARO CC(C)[C@H](CNC(=O)Nc1cccc(-n2cccn2)c1)[NH+]1CCCCCC1 ZINC000062579947 205291226 /nfs/dbraw/zinc/29/12/26/205291226.db2.gz FQQKFMFKJDQKPX-FQEVSTJZSA-N 1 0 369.513 3.894 50 0 FHAARO Cc1nccn1-c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)cc1F ZINC000063549009 205293703 /nfs/dbraw/zinc/29/37/03/205293703.db2.gz LHXRTQCOKDQDGS-UHFFFAOYSA-N 1 0 361.424 4.000 50 0 FHAARO CC(C)c1nccc(C[N@H+](CCc2ccccc2)C2CCN(C)CC2)n1 ZINC000063868104 205296629 /nfs/dbraw/zinc/29/66/29/205296629.db2.gz DHOBPADCIGCMRT-UHFFFAOYSA-N 1 0 352.526 3.739 50 0 FHAARO O=C(Nc1ccc(-c2nccs2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058393823 205274987 /nfs/dbraw/zinc/27/49/87/205274987.db2.gz QDKLHKQGDDFBAS-QGZVFWFLSA-N 1 0 356.495 3.902 50 0 FHAARO C[NH+](C)C1(CNC(=O)Nc2cccc(OCc3ccncc3)c2)CCCC1 ZINC000058440770 205275385 /nfs/dbraw/zinc/27/53/85/205275385.db2.gz ZODKUVUEGDAQCC-UHFFFAOYSA-N 1 0 368.481 3.657 50 0 FHAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000058975821 205280115 /nfs/dbraw/zinc/28/01/15/205280115.db2.gz LJPPAHKNHMIRAL-SFHVURJKSA-N 1 0 358.869 3.994 50 0 FHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000065245420 205328174 /nfs/dbraw/zinc/32/81/74/205328174.db2.gz WXWBFJXNCJQRMR-LJQANCHMSA-N 1 0 369.509 3.644 50 0 FHAARO O=C(NC1CCCCCC1)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255106 205329487 /nfs/dbraw/zinc/32/94/87/205329487.db2.gz QAPVUWBBLFMAHR-UHFFFAOYSA-N 1 0 354.498 3.585 50 0 FHAARO CC(C)C(=O)N1CCC([NH2+]C[C@@H](c2ccccc2)N2CCCCCC2)CC1 ZINC000065435121 205350116 /nfs/dbraw/zinc/35/01/16/205350116.db2.gz BPCVDKPWQNGQMU-QFIPXVFZSA-N 1 0 371.569 3.840 50 0 FHAARO COc1ccc(C[N@H+](C)Cc2coc3ccccc3c2=O)c2cccnc12 ZINC000065427360 205350954 /nfs/dbraw/zinc/35/09/54/205350954.db2.gz VCENHUGIARWCMR-UHFFFAOYSA-N 1 0 360.413 3.982 50 0 FHAARO CC(=O)Nc1ccccc1NC(=O)C[NH2+]Cc1ccc2sccc2c1 ZINC000065455552 205352124 /nfs/dbraw/zinc/35/21/24/205352124.db2.gz BQNKOZOZFXYIRR-UHFFFAOYSA-N 1 0 353.447 3.588 50 0 FHAARO COc1cccc(C)c1NC(=O)c1cccc(C[N@H+](C)C2CCOCC2)c1 ZINC000065493340 205355447 /nfs/dbraw/zinc/35/54/47/205355447.db2.gz YVDDRONSRVPYCG-UHFFFAOYSA-N 1 0 368.477 3.867 50 0 FHAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2ccccc2Cn2cccn2)C[C@H]1O ZINC000065507596 205357462 /nfs/dbraw/zinc/35/74/62/205357462.db2.gz FBSVHXGILUCHQT-WOJBJXKFSA-N 1 0 367.518 3.652 50 0 FHAARO O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000065553526 205358225 /nfs/dbraw/zinc/35/82/25/205358225.db2.gz YXBLTSUIPZWZIG-HXUWFJFHSA-N 1 0 363.505 3.539 50 0 FHAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1Cn1c(=O)cc(C)c2ccccc21 ZINC000065536394 205358933 /nfs/dbraw/zinc/35/89/33/205358933.db2.gz WHAMPNHJTKQJKP-UHFFFAOYSA-N 1 0 371.444 3.520 50 0 FHAARO CC(=O)c1ccc(-[n+]2ccn(Cc3cc(Br)ccc3F)c2)cc1 ZINC000065887049 205361601 /nfs/dbraw/zinc/36/16/01/205361601.db2.gz LPGHWIJXPPHBDS-UHFFFAOYSA-N 1 0 374.233 3.917 50 0 FHAARO Cc1cc(-n2nc(CCc3ccccc3)nc2[C@@H](C)Cn2cccn2)cc[nH+]1 ZINC000065380468 205340746 /nfs/dbraw/zinc/34/07/46/205340746.db2.gz ZMFBDBMYUDKGAF-KRWDZBQOSA-N 1 0 372.476 3.756 50 0 FHAARO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)Cc3ccccc3F)CC2)cc1 ZINC000065384360 205342740 /nfs/dbraw/zinc/34/27/40/205342740.db2.gz SICKPUSMGDORLV-KRWDZBQOSA-N 1 0 354.469 3.960 50 0 FHAARO COCc1c(C)onc1-c1nc(-c2ccccc2)nn1-c1cc[nH+]c(C)c1 ZINC000065395974 205345799 /nfs/dbraw/zinc/34/57/99/205345799.db2.gz HTYFFZYNWHRVKQ-UHFFFAOYSA-N 1 0 361.405 3.748 50 0 FHAARO CCOC(=O)N1CCC([NH2+]Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000065409013 205348591 /nfs/dbraw/zinc/34/85/91/205348591.db2.gz HSZOVJBBIIENGT-UHFFFAOYSA-N 1 0 363.845 3.706 50 0 FHAARO COCC(=O)N1CCC2(CC1)CCC[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000067435203 205370659 /nfs/dbraw/zinc/37/06/59/205370659.db2.gz PESSEANBCIBDHX-UHFFFAOYSA-N 1 0 364.917 3.581 50 0 FHAARO CCCO[C@@H]1CCC[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000067643430 205378718 /nfs/dbraw/zinc/37/87/18/205378718.db2.gz VPRGMDMVYLOCEA-LJQANCHMSA-N 1 0 350.466 3.787 50 0 FHAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000067654498 205380754 /nfs/dbraw/zinc/38/07/54/205380754.db2.gz VWKKZYZJRJDXCV-QGZVFWFLSA-N 1 0 373.884 3.754 50 0 FHAARO C[NH+]1CCN(c2ncnc3ccc(-c4ccc(F)cc4Cl)cc32)CC1 ZINC000067725144 205388111 /nfs/dbraw/zinc/38/81/11/205388111.db2.gz YTKDQXNDYBGFOL-UHFFFAOYSA-N 1 0 356.832 3.841 50 0 FHAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000015065369 220144821 /nfs/dbraw/zinc/14/48/21/220144821.db2.gz ZNASAWVYOMSOCT-UHFFFAOYSA-N 1 0 366.490 3.989 50 0 FHAARO Cc1ccccc1CN(CC[NH+](C)C)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000067855604 205397299 /nfs/dbraw/zinc/39/72/99/205397299.db2.gz URJBOTDNTZLCLN-UHFFFAOYSA-N 1 0 367.468 3.539 50 0 FHAARO COc1ccc(-c2nc(CN3C[C@H]4CC[C@@H](C3)[NH2+]4)c(C)o2)c2ccccc12 ZINC000067847775 205397645 /nfs/dbraw/zinc/39/76/45/205397645.db2.gz XHAAZEWMDCFBEM-IYBDPMFKSA-N 1 0 363.461 3.748 50 0 FHAARO c1ccc(OCCC[NH+]2CCC(c3cc(N4CCCC4)ncn3)CC2)cc1 ZINC000072427863 205543532 /nfs/dbraw/zinc/54/35/32/205543532.db2.gz BUUVBNCQOBGAAZ-UHFFFAOYSA-N 1 0 366.509 3.725 50 0 FHAARO Cc1ccccc1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1ccncc1 ZINC000095381007 205743398 /nfs/dbraw/zinc/74/33/98/205743398.db2.gz KUKDVTOUBMJJPI-NRFANRHFSA-N 1 0 351.494 3.716 50 0 FHAARO Cc1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)cc1F ZINC000095527342 205784236 /nfs/dbraw/zinc/78/42/36/205784236.db2.gz YTPRKKSIJUDNIM-AWEZNQCLSA-N 1 0 369.868 3.552 50 0 FHAARO O=C(c1ccc[nH]1)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095500269 205769869 /nfs/dbraw/zinc/76/98/69/205769869.db2.gz VJJMQQRIZGJVNC-UHFFFAOYSA-N 1 0 366.509 3.707 50 0 FHAARO COCCN(Cc1ccccc1C)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000097675217 205922652 /nfs/dbraw/zinc/92/26/52/205922652.db2.gz ZARFCQGHYPVQAW-NRFANRHFSA-N 1 0 366.505 3.751 50 0 FHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000237463361 206104628 /nfs/dbraw/zinc/10/46/28/206104628.db2.gz LSPTWFMDMKSNGP-QWHCGFSZSA-N 1 0 359.297 3.738 50 0 FHAARO O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1cccs1 ZINC000000790149 206132609 /nfs/dbraw/zinc/13/26/09/206132609.db2.gz AQUYMOTYOVAMBI-UHFFFAOYSA-N 1 0 352.444 3.852 50 0 FHAARO O[C@@H](Cn1c2ccccc2c2c1CCCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000003181552 206158885 /nfs/dbraw/zinc/15/88/85/206158885.db2.gz BXUIDPQAETUCEV-HXUWFJFHSA-N 1 0 360.501 3.939 50 0 FHAARO C[NH+](C)CCN(C(=O)c1cccs1)c1nc2c(cc(F)cc2F)s1 ZINC000005121738 206190728 /nfs/dbraw/zinc/19/07/28/206190728.db2.gz OCVSFOZAWJVLAK-UHFFFAOYSA-N 1 0 367.446 3.844 50 0 FHAARO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COCCOc2ccc(Cl)cc2)[C@@H]1C ZINC000006640843 206204372 /nfs/dbraw/zinc/20/43/72/206204372.db2.gz OSISLWGQAJWPLM-RRIFGTCXSA-N 1 0 355.906 3.511 50 0 FHAARO CC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)C1CCCCC1 ZINC000052559533 206222745 /nfs/dbraw/zinc/22/27/45/206222745.db2.gz PLTGHGRJOPYZJW-UHFFFAOYSA-N 1 0 358.526 3.506 50 0 FHAARO C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(-n2ccnc2)cc1 ZINC000008013606 206215086 /nfs/dbraw/zinc/21/50/86/206215086.db2.gz PRFQNXOOBZDPJG-NSHDSACASA-N 1 0 367.883 3.627 50 0 FHAARO COc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2)c(OC)c1 ZINC000103972314 206229461 /nfs/dbraw/zinc/22/94/61/206229461.db2.gz OOTFVZXBRQSGDV-UZLBHIALSA-N 1 0 368.477 3.718 50 0 FHAARO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN(Cc1ccccc1)Cc1ccccc1 ZINC000003345373 206233453 /nfs/dbraw/zinc/23/34/53/206233453.db2.gz UOEPNNGXPJHKQJ-NHCUHLMSSA-N 1 0 360.457 3.598 50 0 FHAARO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)C1 ZINC000164130754 206236773 /nfs/dbraw/zinc/23/67/73/206236773.db2.gz NGLPBTBMNXMVAG-MRXNPFEDSA-N 1 0 374.916 3.638 50 0 FHAARO CC(=O)Nc1cc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1F ZINC000170598242 206271055 /nfs/dbraw/zinc/27/10/55/206271055.db2.gz LVOUUNUSAORPII-ORAYPTAESA-N 1 0 372.444 3.597 50 0 FHAARO COC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000170597089 206271182 /nfs/dbraw/zinc/27/11/82/206271182.db2.gz ZLLPIFCUYKOSCT-KBPBESRZSA-N 1 0 358.404 3.781 50 0 FHAARO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCc2c1cc(F)cc2F ZINC000170613523 206274900 /nfs/dbraw/zinc/27/49/00/206274900.db2.gz AIHDXLWSVWNWFI-UHFFFAOYSA-N 1 0 374.456 3.717 50 0 FHAARO C[NH+](C)CCCN(C(=O)c1ccno1)c1nc2c(cccc2Cl)s1 ZINC000013596103 206303944 /nfs/dbraw/zinc/30/39/44/206303944.db2.gz ZWZMCMAXDVTYNW-UHFFFAOYSA-N 1 0 364.858 3.536 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000108246192 206314447 /nfs/dbraw/zinc/31/44/47/206314447.db2.gz UHJPXULDELKMGQ-UYAOXDASSA-N 1 0 373.928 3.916 50 0 FHAARO COc1ccc(CC[NH2+]Cc2cc(Br)cs2)cc1OC ZINC000020306132 206329718 /nfs/dbraw/zinc/32/97/18/206329718.db2.gz ZGAVLYKWMMFAAP-UHFFFAOYSA-N 1 0 356.285 3.860 50 0 FHAARO COc1ccc(OC)c(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c1 ZINC000019360217 206334723 /nfs/dbraw/zinc/33/47/23/206334723.db2.gz YBXYBQMPUYHVNC-UHFFFAOYSA-N 1 0 365.477 3.503 50 0 FHAARO CC[C@H](C)Oc1cccc(C[N@@H+]2CCCN(Cc3ccccn3)CC2)c1 ZINC000215289939 206346417 /nfs/dbraw/zinc/34/64/17/206346417.db2.gz XPVBDMVVGSZXFL-IBGZPJMESA-N 1 0 353.510 3.967 50 0 FHAARO COc1cccc(-c2ncc(C[NH+]3CCC(c4noc(C)n4)CC3)s2)c1 ZINC000215453917 206348337 /nfs/dbraw/zinc/34/83/37/206348337.db2.gz VKQDDFPVNRDCCD-UHFFFAOYSA-N 1 0 370.478 3.890 50 0 FHAARO C[NH+](C)CC[C@H](NC(=O)c1ccc2cccc(F)c2n1)c1ccccc1 ZINC000215457371 206348602 /nfs/dbraw/zinc/34/86/02/206348602.db2.gz MDSQIVVPLPZANH-SFHVURJKSA-N 1 0 351.425 3.797 50 0 FHAARO Cc1c2cc(Cl)ccc2[nH]c1C[NH+]1CCC(c2ccnc(N)n2)CC1 ZINC000216162243 206356675 /nfs/dbraw/zinc/35/66/75/206356675.db2.gz CIMMOEJYFUHMMA-UHFFFAOYSA-N 1 0 355.873 3.882 50 0 FHAARO CN(Cc1cnc(-c2ccco2)nc1)Cc1ccccc1C[NH+]1CCCC1 ZINC000216263544 206357505 /nfs/dbraw/zinc/35/75/05/206357505.db2.gz PNIGHZKNUHDIDR-UHFFFAOYSA-N 1 0 362.477 3.964 50 0 FHAARO Cc1ccccc1-c1ncc(C[NH+]2CCC(O)(c3cccnc3)CC2)s1 ZINC000216445952 206360033 /nfs/dbraw/zinc/36/00/33/206360033.db2.gz PNRBNOPCLYJNGP-UHFFFAOYSA-N 1 0 365.502 3.997 50 0 FHAARO CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000252482922 206572050 /nfs/dbraw/zinc/57/20/50/206572050.db2.gz DQHFXVSRONUVSS-OAHLLOKOSA-N 1 0 370.896 3.971 50 0 FHAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000095352959 132206862 /nfs/dbraw/zinc/20/68/62/132206862.db2.gz GXIHQKXRILFWJN-KRWDZBQOSA-N 1 0 352.482 3.579 50 0 FHAARO Cc1ccc2[nH]c([C@@H](C)[NH2+]C3CCN(c4nc(C)cc(C)n4)CC3)nc2c1 ZINC000095355788 132207102 /nfs/dbraw/zinc/20/71/02/132207102.db2.gz BKHONTDMXYGCRG-MRXNPFEDSA-N 1 0 364.497 3.598 50 0 FHAARO Cc1cc(C)[nH+]c(N2CCC[C@H](c3nccn3Cc3cscn3)C2)c1 ZINC000095508315 132212910 /nfs/dbraw/zinc/21/29/10/132212910.db2.gz QIEUYDGCCXLRSW-INIZCTEOSA-N 1 0 353.495 3.784 50 0 FHAARO C[C@@H]1[C@H]([NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)C[C@@H]1c1ccccc1 ZINC000097085064 132227065 /nfs/dbraw/zinc/22/70/65/132227065.db2.gz RFXOPPJGKVXIGQ-SQBLYHGDSA-N 1 0 351.494 3.589 50 0 FHAARO C[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)C1 ZINC000107326264 132241293 /nfs/dbraw/zinc/24/12/93/132241293.db2.gz UVCFBZNFCJHWOD-PXNSSMCTSA-N 1 0 350.462 3.885 50 0 FHAARO FC(F)(F)c1nc2ccccc2c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000055406341 136126682 /nfs/dbraw/zinc/12/66/82/136126682.db2.gz GQSTXKZQFZXKRP-UHFFFAOYSA-N 1 0 372.394 3.971 50 0 FHAARO CC(C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057555118 136129641 /nfs/dbraw/zinc/12/96/41/136129641.db2.gz XPQWNXUUUYNOBZ-UHFFFAOYSA-N 1 0 351.494 3.993 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000004450276 136151376 /nfs/dbraw/zinc/15/13/76/136151376.db2.gz INSSYMJSYCNWLF-UHFFFAOYSA-N 1 0 364.276 3.998 50 0 FHAARO c1cnn(CCC[NH2+]C2CCN(c3cccc(-c4cscn4)c3)CC2)c1 ZINC000023580834 136153059 /nfs/dbraw/zinc/15/30/59/136153059.db2.gz TZTJOAZYXJQLHZ-UHFFFAOYSA-N 1 0 367.522 3.655 50 0 FHAARO CC(C)OCc1cccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000252506463 519776105 /nfs/dbraw/zinc/77/61/05/519776105.db2.gz SZUJJDHBGDYPQN-SXLOBPIMSA-N 1 0 357.498 3.560 50 0 FHAARO CCCOc1ccc(C[NH2+]C[C@@H]2CCCN2CC)cc1Br ZINC000020967485 520366530 /nfs/dbraw/zinc/36/65/30/520366530.db2.gz LHXIJUQVFFASJN-HNNXBMFYSA-N 1 0 355.320 3.812 50 0 FHAARO CCOC(=O)C1(CC2CC2)CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000019788286 520457679 /nfs/dbraw/zinc/45/76/79/520457679.db2.gz VWKUBMAYWUUZHL-OAQYLSRUSA-N 1 0 370.537 3.706 50 0 FHAARO CCOc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1Br ZINC000020177083 521001878 /nfs/dbraw/zinc/00/18/78/521001878.db2.gz IHVSQNBWBBGUCR-MRXNPFEDSA-N 1 0 350.256 3.671 50 0 FHAARO CCOc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000252444247 521179134 /nfs/dbraw/zinc/17/91/34/521179134.db2.gz YAYSSCCEOUOSQC-YRNRMSPPSA-N 1 0 359.466 3.673 50 0 FHAARO CCCCc1nc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c[nH]1 ZINC000091255041 521300859 /nfs/dbraw/zinc/30/08/59/521300859.db2.gz POJJEZQSIKYCMO-PZJWPPBQSA-N 1 0 352.526 3.849 50 0 FHAARO CCCc1ncc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000020235967 521554365 /nfs/dbraw/zinc/55/43/65/521554365.db2.gz UIKLLLVSCYQRHH-IBGZPJMESA-N 1 0 356.489 3.665 50 0 FHAARO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000089977207 521722132 /nfs/dbraw/zinc/72/21/32/521722132.db2.gz IDJRLXBQPDAADN-MSOLQXFVSA-N 1 0 367.518 3.932 50 0 FHAARO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020807197 522049505 /nfs/dbraw/zinc/04/95/05/522049505.db2.gz LQTRZGRKWASDLG-PZJWPPBQSA-N 1 0 368.521 3.762 50 0 FHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)C1 ZINC000158905589 522083674 /nfs/dbraw/zinc/08/36/74/522083674.db2.gz IUPHOMPZYFGOHH-LLVKDONJSA-N 1 0 369.943 3.905 50 0 FHAARO COCC1CC[NH+](Cc2nc(-c3ccc(OC)c(C)c3OC)oc2C)CC1 ZINC000020599710 522936746 /nfs/dbraw/zinc/93/67/46/522936746.db2.gz QXGOVNWSPIPDES-UHFFFAOYSA-N 1 0 374.481 3.834 50 0 FHAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(-c2ccccc2)n1C ZINC000082138648 523149147 /nfs/dbraw/zinc/14/91/47/523149147.db2.gz HDOXQQJYZXJGCY-OAQYLSRUSA-N 1 0 373.500 3.821 50 0 FHAARO COCCN(Cc1cccc2ccccc21)C(=O)C[C@H]1CCCC[N@@H+]1C ZINC000216494236 523753714 /nfs/dbraw/zinc/75/37/14/523753714.db2.gz TYAYEEYUPUXZTA-HXUWFJFHSA-N 1 0 354.494 3.689 50 0 FHAARO COCC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(Cl)c(C)c(Cl)c2)C1 ZINC000091665131 523825281 /nfs/dbraw/zinc/82/52/81/523825281.db2.gz IOTCDBDOUHHABF-AWEZNQCLSA-N 1 0 373.324 3.732 50 0 FHAARO Cc1ccc(C)c(NC(=O)NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)c1 ZINC000082098378 524147327 /nfs/dbraw/zinc/14/73/27/524147327.db2.gz FBZCSBGCVAABPP-UHFFFAOYSA-N 1 0 369.513 3.683 50 0 FHAARO Cc1cc(C)n(CCC[N@@H+]2CCc3[nH]nc(C=Cc4ccccc4)c3C2)n1 ZINC000019794562 524517928 /nfs/dbraw/zinc/51/79/28/524517928.db2.gz JPVZBEUMFVYTTA-MDZDMXLPSA-N 1 0 361.493 3.842 50 0 FHAARO Cc1cc(C)n(CCC[N@@H+](C)[C@@H]2CCCN(CCCc3ccccc3)C2)n1 ZINC000020541220 524518018 /nfs/dbraw/zinc/51/80/18/524518018.db2.gz VLQRPTWYUGEANO-HSZRJFAPSA-N 1 0 368.569 3.919 50 0 FHAARO Cc1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000020540117 524662868 /nfs/dbraw/zinc/66/28/68/524662868.db2.gz XOFVQPHGUHVHDA-GOSISDBHSA-N 1 0 360.933 3.758 50 0 FHAARO COc1ccnc(C[N@@H+]2CCC[C@H](c3nccn3Cc3ccccc3)C2)c1 ZINC000082108995 524828009 /nfs/dbraw/zinc/82/80/09/524828009.db2.gz CTTAXGPQFJKIPP-IBGZPJMESA-N 1 0 362.477 3.715 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CC[C@H]3CCCO3)cc2)C1 ZINC000252452737 525385110 /nfs/dbraw/zinc/38/51/10/525385110.db2.gz YZNZXJGPRVSDSQ-LVCYWYKZSA-N 1 0 358.526 3.740 50 0 FHAARO Cc1ccccc1[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)[NH+](C)C ZINC000091563550 525423197 /nfs/dbraw/zinc/42/31/97/525423197.db2.gz BOEOPDBVSMVAJO-FQEVSTJZSA-N 1 0 366.440 3.557 50 0 FHAARO Cc1cc(-c2cccc(-c3ccn(CCC[NH+]4CCOCC4)n3)c2)ccn1 ZINC000020204502 526041485 /nfs/dbraw/zinc/04/14/85/526041485.db2.gz YJGVYWUPRGEESI-UHFFFAOYSA-N 1 0 362.477 3.643 50 0 FHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)N[C@H]1CCc3ccccc31)C[C@H](C)O2 ZINC000244659538 526162908 /nfs/dbraw/zinc/16/29/08/526162908.db2.gz HEKVYKQLHIMKBV-UWJYYQICSA-N 1 0 364.489 3.772 50 0 FHAARO c1[nH]nc(-c2ccccc2)c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091426472 526395162 /nfs/dbraw/zinc/39/51/62/526395162.db2.gz MMICPFMJGMRBSN-PGRDOPGGSA-N 1 0 373.504 3.568 50 0 FHAARO O=C(COc1ccc(Cl)cc1)N1CC[NH+](C2CCCCCC2)CC1 ZINC000019789913 526951874 /nfs/dbraw/zinc/95/18/74/526951874.db2.gz PCMOHBMVCIFQGA-UHFFFAOYSA-N 1 0 350.890 3.586 50 0 FHAARO O=C(Cc1cccc(F)c1F)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091626249 527265233 /nfs/dbraw/zinc/26/52/33/527265233.db2.gz JTBPPFHGVMCKLR-PKOBYXMFSA-N 1 0 370.443 3.630 50 0 FHAARO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000216372991 527454216 /nfs/dbraw/zinc/45/42/16/527454216.db2.gz JNIDJVFDVDRXFZ-FQEVSTJZSA-N 1 0 369.440 3.765 50 0 FHAARO O[C@@H](C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc2cc[nH]c2c1 ZINC000020287250 527649086 /nfs/dbraw/zinc/64/90/86/527649086.db2.gz LWCOJRPPGNNCLS-FQEVSTJZSA-N 1 0 355.869 3.677 50 0 FHAARO CC[C@H](C)NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000055462410 536169027 /nfs/dbraw/zinc/16/90/27/536169027.db2.gz QRVOZITYLXAMSP-SFHVURJKSA-N 1 0 351.494 3.537 50 0 FHAARO CCCOc1ccc2ccccc2c1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000215233484 568059299 /nfs/dbraw/zinc/05/92/99/568059299.db2.gz NHMOEXPVIPGQIL-UHFFFAOYSA-N 1 0 352.478 3.731 50 0 FHAARO CNC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000032915180 568423658 /nfs/dbraw/zinc/42/36/58/568423658.db2.gz LGWXFTJMFPJXBH-UHFFFAOYSA-N 1 0 365.477 3.593 50 0 FHAARO Brc1cc(C[NH2+][C@H]2CCOc3ccccc32)cc2c1OCO2 ZINC000025357343 568546612 /nfs/dbraw/zinc/54/66/12/568546612.db2.gz USWAWYMIORTSMA-AWEZNQCLSA-N 1 0 362.223 3.791 50 0 FHAARO Cc1c2ccc(C)cc2oc1C(=O)N(Cc1cccnc1)C1CC[NH2+]CC1 ZINC000091817745 570439534 /nfs/dbraw/zinc/43/95/34/570439534.db2.gz VJLSNSZZDHHCFT-UHFFFAOYSA-N 1 0 363.461 3.839 50 0 FHAARO COc1ccc(OCCN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cc1 ZINC000091845757 570440408 /nfs/dbraw/zinc/44/04/08/570440408.db2.gz QIZSDFQBMLJMDS-LEWJYISDSA-N 1 0 366.505 3.670 50 0 FHAARO Cc1nc(C(C)C)sc1C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000091876645 570441385 /nfs/dbraw/zinc/44/13/85/570441385.db2.gz PROGSXKEFGBBPJ-UHFFFAOYSA-N 1 0 358.511 3.631 50 0 FHAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1c(-c3ccc(F)cc3)nc3ccccn31)C2 ZINC000091877147 570441441 /nfs/dbraw/zinc/44/14/41/570441441.db2.gz QYXYJQPIPHJXJN-VQIMIIECSA-N 1 0 364.468 3.666 50 0 FHAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c(C)c1 ZINC000091964906 570443551 /nfs/dbraw/zinc/44/35/51/570443551.db2.gz YPVIFRGSGFMKRH-UHFFFAOYSA-N 1 0 356.510 3.618 50 0 FHAARO CCSc1ncc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cn1 ZINC000091973890 570443906 /nfs/dbraw/zinc/44/39/06/570443906.db2.gz VZNCGFGURDOBIL-AZUAARDMSA-N 1 0 368.550 3.685 50 0 FHAARO COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1C ZINC000092020911 570445229 /nfs/dbraw/zinc/44/52/29/570445229.db2.gz ILMSKSHUZFIYJO-PZJWPPBQSA-N 1 0 364.489 3.740 50 0 FHAARO O=c1cc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)[nH]c2c(F)cccc12 ZINC000092081153 570447020 /nfs/dbraw/zinc/44/70/20/570447020.db2.gz ZLYYFBNWTQNOQS-OAHLLOKOSA-N 1 0 351.425 3.696 50 0 FHAARO CCc1ocnc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000095352658 570452218 /nfs/dbraw/zinc/45/22/18/570452218.db2.gz CXCCBOLBGMJRGP-GOSISDBHSA-N 1 0 367.493 3.579 50 0 FHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccc(CC)cc3)n[nH]1)C2 ZINC000095357876 570453252 /nfs/dbraw/zinc/45/32/52/570453252.db2.gz NRGFPLZPFWQDMW-IEBWSBKVSA-N 1 0 366.509 3.586 50 0 FHAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000095356158 570453526 /nfs/dbraw/zinc/45/35/26/570453526.db2.gz IWBUKFXSGYODNM-IBGZPJMESA-N 1 0 360.546 3.511 50 0 FHAARO Cc1ccc(OCCN(C)C(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000095359585 570453817 /nfs/dbraw/zinc/45/38/17/570453817.db2.gz PQESOLHXLUFJQX-OAQYLSRUSA-N 1 0 366.505 3.712 50 0 FHAARO C[N@@H+]1CCC[C@H](CCC(=O)NCc2cc(-c3ccc(Cl)cc3)on2)C1 ZINC000095362902 570454588 /nfs/dbraw/zinc/45/45/88/570454588.db2.gz GXWULXTYCNAGTJ-CQSZACIVSA-N 1 0 361.873 3.733 50 0 FHAARO CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095364058 570454969 /nfs/dbraw/zinc/45/49/69/570454969.db2.gz LUEDZTUUDJJVKP-KRWDZBQOSA-N 1 0 369.534 3.761 50 0 FHAARO CCC(C)(C)C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095364022 570455138 /nfs/dbraw/zinc/45/51/38/570455138.db2.gz MQLVQPQBGIOZJY-XUVXKRRUSA-N 1 0 356.510 3.520 50 0 FHAARO Cc1ccc(CNC(=O)CC[N@H+]2CCC[C@@H](c3nccn3C(C)C)C2)cc1 ZINC000095365966 570455168 /nfs/dbraw/zinc/45/51/68/570455168.db2.gz ZHGMHTKCKBHBML-HXUWFJFHSA-N 1 0 368.525 3.658 50 0 FHAARO O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCOc2ccc(Cl)cc2C1 ZINC000095372122 570456818 /nfs/dbraw/zinc/45/68/18/570456818.db2.gz ITSUYIIQLBIMEG-QGZVFWFLSA-N 1 0 370.880 3.842 50 0 FHAARO O=C(c1nccc2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095373785 570457139 /nfs/dbraw/zinc/45/71/39/570457139.db2.gz IMRPAILYDYALJS-TZIWHRDSSA-N 1 0 371.484 3.971 50 0 FHAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccc(OC)cc1 ZINC000000809660 570457902 /nfs/dbraw/zinc/45/79/02/570457902.db2.gz DEMDFVSPNYKHJF-UHFFFAOYSA-N 1 0 352.482 3.999 50 0 FHAARO CCc1nc(C)sc1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095379106 570458254 /nfs/dbraw/zinc/45/82/54/570458254.db2.gz CFJZKELIXJSAQP-UHFFFAOYSA-N 1 0 357.523 3.930 50 0 FHAARO Cc1c(Cl)cc(C(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000095381949 570459038 /nfs/dbraw/zinc/45/90/38/570459038.db2.gz BWMNZZOHNMATPN-OAHLLOKOSA-N 1 0 371.308 3.629 50 0 FHAARO COc1ccc([C@@H]2C[N@H+](Cc3ccc(F)cc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095381271 570459094 /nfs/dbraw/zinc/45/90/94/570459094.db2.gz KUOVLBKTQNECQR-YTFSRNRJSA-N 1 0 366.480 3.897 50 0 FHAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc4[nH]ccc4c3)C2)N1Cc1ccccc1 ZINC000095384005 570459457 /nfs/dbraw/zinc/45/94/57/570459457.db2.gz NRXYLQQQQXKWBF-LEWJYISDSA-N 1 0 359.473 3.791 50 0 FHAARO C[NH+](C)Cc1csc(C[N@@H+]2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000095386295 570460085 /nfs/dbraw/zinc/46/00/85/570460085.db2.gz AOCYDKWELWQNRP-GOSISDBHSA-N 1 0 358.507 3.888 50 0 FHAARO O=C(CCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000000889986 570462863 /nfs/dbraw/zinc/46/28/63/570462863.db2.gz SSLUDQMMOZJWCI-LJQANCHMSA-N 1 0 351.446 3.910 50 0 FHAARO Cn1c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)ccc1-c1ccccc1 ZINC000095507385 570464554 /nfs/dbraw/zinc/46/45/54/570464554.db2.gz LZUWKIJUUHSBET-UYAOXDASSA-N 1 0 363.505 3.639 50 0 FHAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)C2CC2)CC1 ZINC000095511473 570465872 /nfs/dbraw/zinc/46/58/72/570465872.db2.gz ZFSLAOAXJMJYRM-UHFFFAOYSA-N 1 0 358.526 3.802 50 0 FHAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)[C@@H]1CCCCO1 ZINC000095521443 570467263 /nfs/dbraw/zinc/46/72/63/570467263.db2.gz HWKRBSSMKVHUHT-QFIPXVFZSA-N 1 0 372.553 3.667 50 0 FHAARO COCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 ZINC000095519874 570467559 /nfs/dbraw/zinc/46/75/59/570467559.db2.gz ZJYSWCYQHWSYMR-SFHVURJKSA-N 1 0 367.493 3.752 50 0 FHAARO CSc1ncc(CN2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)cn1 ZINC000095524562 570468272 /nfs/dbraw/zinc/46/82/72/570468272.db2.gz HZXBAZUEXLDPRG-LJQANCHMSA-N 1 0 368.550 3.652 50 0 FHAARO Cc1nn(C)c2nc(NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)sc12 ZINC000095525211 570468392 /nfs/dbraw/zinc/46/83/92/570468392.db2.gz NNCHGWAUDZCICP-INIZCTEOSA-N 1 0 355.511 3.662 50 0 FHAARO CCc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)[nH]1 ZINC000095526286 570468928 /nfs/dbraw/zinc/46/89/28/570468928.db2.gz OXFYPDWSDMBAJW-UHFFFAOYSA-N 1 0 371.500 3.743 50 0 FHAARO CCCc1cc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)on1 ZINC000095528412 570469417 /nfs/dbraw/zinc/46/94/17/570469417.db2.gz URZAZVXVIDZVRC-UHFFFAOYSA-N 1 0 356.495 3.995 50 0 FHAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[NH+](CC)CC ZINC000001036436 570473557 /nfs/dbraw/zinc/47/35/57/570473557.db2.gz AETZGAIUIIDVFQ-UHFFFAOYSA-N 1 0 360.479 3.872 50 0 FHAARO COc1cc(NC(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)ccc1F ZINC000096131534 570476061 /nfs/dbraw/zinc/47/60/61/570476061.db2.gz ZAYUFKPQYHTVIP-UHFFFAOYSA-N 1 0 371.456 3.619 50 0 FHAARO Cc1ccc(C[NH+]2CCC(c3nnc(CN4CCCCC4)n3C)CC2)s1 ZINC000096139804 570476802 /nfs/dbraw/zinc/47/68/02/570476802.db2.gz OQCADXQSKIBHMU-UHFFFAOYSA-N 1 0 373.570 3.551 50 0 FHAARO Cc1n[nH]c(CCC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c1C ZINC000096140991 570476836 /nfs/dbraw/zinc/47/68/36/570476836.db2.gz XXDUJDHKXUDWAO-LJQANCHMSA-N 1 0 374.916 3.566 50 0 FHAARO Cc1cc(C(=O)N2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)ccc1O ZINC000096150254 570477101 /nfs/dbraw/zinc/47/71/01/570477101.db2.gz VAWFNXXHARZGNZ-HXUWFJFHSA-N 1 0 364.489 3.795 50 0 FHAARO Cc1ccc(-c2cc(-c3nc(C4CC4)nn3C3CC[NH+](C)CC3)n[nH]2)s1 ZINC000096153831 570477491 /nfs/dbraw/zinc/47/74/91/570477491.db2.gz CRKKQTNSJQBNFQ-UHFFFAOYSA-N 1 0 368.510 3.849 50 0 FHAARO CCCN(Cc1nccn1C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000096153050 570477566 /nfs/dbraw/zinc/47/75/66/570477566.db2.gz KTRYSYQRBWXUDZ-UHFFFAOYSA-N 1 0 369.513 3.850 50 0 FHAARO COc1cccc(-c2nc3c([nH]2)C[N@H+](CCC(F)(F)C(F)F)CC3)c1 ZINC000096150853 570477679 /nfs/dbraw/zinc/47/76/79/570477679.db2.gz YSAFPVZXLQUDTG-UHFFFAOYSA-N 1 0 357.351 3.734 50 0 FHAARO CCc1noc(C)c1-c1nc(Cc2cccs2)nn1C1CC[NH+](C)CC1 ZINC000096180215 570479091 /nfs/dbraw/zinc/47/90/91/570479091.db2.gz UJOKZUNOSIMKEV-UHFFFAOYSA-N 1 0 371.510 3.723 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1Cn1cccn1 ZINC000097527207 570489855 /nfs/dbraw/zinc/48/98/55/570489855.db2.gz YDSDRNQVWYRRSJ-GOSISDBHSA-N 1 0 352.438 3.574 50 0 FHAARO CCSc1ncc(C[N@@H+]2CC[C@H](c3cccc(OC)c3OC)C2)cn1 ZINC000097696145 570492633 /nfs/dbraw/zinc/49/26/33/570492633.db2.gz QLDPNYDAGMZGJY-HNNXBMFYSA-N 1 0 359.495 3.595 50 0 FHAARO OC1(Cn2ccnc2)CC[NH+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC000097729576 570493521 /nfs/dbraw/zinc/49/35/21/570493521.db2.gz VGSGNMOFMAMTBM-UHFFFAOYSA-N 1 0 371.868 3.824 50 0 FHAARO CC(=O)Nc1cc(NC(=O)NC[C@@H](c2cccc(C)c2)[NH+](C)C)ccc1F ZINC000097785005 570494722 /nfs/dbraw/zinc/49/47/22/570494722.db2.gz CAXCNCQNHUTPCX-IBGZPJMESA-N 1 0 372.444 3.517 50 0 FHAARO O=C(c1cccc(F)c1)N(C[C@H]1C[NH2+]C[C@H]1c1ccc(F)cc1)C1CC1 ZINC000034697326 570530740 /nfs/dbraw/zinc/53/07/40/570530740.db2.gz TUNOMVMIWQCNPY-UZLBHIALSA-N 1 0 356.416 3.573 50 0 FHAARO COCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000034682968 570532289 /nfs/dbraw/zinc/53/22/89/570532289.db2.gz PDLODJCSADPMSZ-UHFFFAOYSA-N 1 0 358.507 3.701 50 0 FHAARO CCn1nc(C(=O)NCC[NH+]2CCCCC2)cc1-c1ccc(Cl)s1 ZINC000034901085 570562088 /nfs/dbraw/zinc/56/20/88/570562088.db2.gz YUYQWHRWOOQHDY-UHFFFAOYSA-N 1 0 366.918 3.501 50 0 FHAARO COc1ccc2c(c1)oc(C(=O)N1CC[C@@H](C[NH3+])C1)c2-c1ccccc1 ZINC000408519238 570565209 /nfs/dbraw/zinc/56/52/09/570565209.db2.gz BPLAJGTVLXWLKB-AWEZNQCLSA-N 1 0 350.418 3.529 50 0 FHAARO COCc1ccccc1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000071913337 570663311 /nfs/dbraw/zinc/66/33/11/570663311.db2.gz NEZFNPCCKBREPH-SFHVURJKSA-N 1 0 373.522 3.531 50 0 FHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)C4CCCC4)C3)C2)c1 ZINC000011715358 570705639 /nfs/dbraw/zinc/70/56/39/570705639.db2.gz HXFFOHVYEKZHPL-QFIPXVFZSA-N 1 0 374.500 3.839 50 0 FHAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)c2cccs2)C1 ZINC000011717563 570705709 /nfs/dbraw/zinc/70/57/09/570705709.db2.gz MZWKBKJZTIFTCO-MRXNPFEDSA-N 1 0 358.507 3.789 50 0 FHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccco4)C3)C2)c1 ZINC000011699844 570705722 /nfs/dbraw/zinc/70/57/22/570705722.db2.gz IYBYTWXBVNVOLF-OAQYLSRUSA-N 1 0 372.440 3.556 50 0 FHAARO O=C(CCC1CC[NH+](Cc2ccccc2OC(F)F)CC1)N1CCCC1 ZINC000011814718 570707124 /nfs/dbraw/zinc/70/71/24/570707124.db2.gz VGXJBZPSOLZSKK-UHFFFAOYSA-N 1 0 366.452 3.903 50 0 FHAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cc(OC)ccc2OC)oc1C ZINC000011816891 570707751 /nfs/dbraw/zinc/70/77/51/570707751.db2.gz VVFZFLZDSSJDNT-HNNXBMFYSA-N 1 0 360.454 3.668 50 0 FHAARO O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1Cc1ccc(F)cc1F ZINC000011910146 570711271 /nfs/dbraw/zinc/71/12/71/570711271.db2.gz ZGIKBMPCFJPVBJ-SFHVURJKSA-N 1 0 362.395 3.775 50 0 FHAARO c1ccc(COc2cccc(C[NH2+][C@H]3CCCN(c4ncccn4)C3)c2)cc1 ZINC000011952552 570712960 /nfs/dbraw/zinc/71/29/60/570712960.db2.gz MBKIVFUFJAGWHL-NRFANRHFSA-N 1 0 374.488 3.814 50 0 FHAARO CC(=O)c1cccc(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)c1 ZINC000011947998 570713142 /nfs/dbraw/zinc/71/31/42/570713142.db2.gz CEHGFOKDBWKNCU-UHFFFAOYSA-N 1 0 367.489 3.933 50 0 FHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccncc1 ZINC000012003513 570714072 /nfs/dbraw/zinc/71/40/72/570714072.db2.gz MBHUSAMYNQKPFE-LJQANCHMSA-N 1 0 369.484 3.638 50 0 FHAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](CCC(C)C)C3)C2=O)c1 ZINC000012073769 570716583 /nfs/dbraw/zinc/71/65/83/570716583.db2.gz DUESPEBGOZATQN-OAQYLSRUSA-N 1 0 362.489 3.695 50 0 FHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@H](CNC(=O)c3cccs3)C2)c1 ZINC000012073850 570716595 /nfs/dbraw/zinc/71/65/95/570716595.db2.gz QGFXOTQAOIKBGA-CQSZACIVSA-N 1 0 362.470 3.538 50 0 FHAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2cccs2)C1 ZINC000012198779 570726825 /nfs/dbraw/zinc/72/68/25/570726825.db2.gz RAUFSOCEZJUEFP-CVTTXWKISA-N 1 0 354.519 3.927 50 0 FHAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000012241369 570731014 /nfs/dbraw/zinc/73/10/14/570731014.db2.gz JVQXXEVTTWHYDQ-QHCPKHFHSA-N 1 0 360.457 3.754 50 0 FHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)CC1 ZINC000012300433 570733271 /nfs/dbraw/zinc/73/32/71/570733271.db2.gz XQNDPEQECZGNPN-LJQANCHMSA-N 1 0 359.514 3.801 50 0 FHAARO C[C@@H](COc1ccccc1)[NH+]1CCC(CO)(CCOc2ccccc2)CC1 ZINC000012386701 570741389 /nfs/dbraw/zinc/74/13/89/570741389.db2.gz SAMWJZHQRHXAQD-FQEVSTJZSA-N 1 0 369.505 3.998 50 0 FHAARO Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cn1 ZINC000012438658 570745719 /nfs/dbraw/zinc/74/57/19/570745719.db2.gz JVEVEMIASSGHTF-OAQYLSRUSA-N 1 0 351.494 3.559 50 0 FHAARO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012438989 570745726 /nfs/dbraw/zinc/74/57/26/570745726.db2.gz RJEHJYDJXRFDHP-SFHVURJKSA-N 1 0 373.880 3.806 50 0 FHAARO Cc1ccc2c(C[N@@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)cc(=O)oc2c1 ZINC000017306041 570748823 /nfs/dbraw/zinc/74/88/23/570748823.db2.gz SIDDJHZQIBQDIW-INIZCTEOSA-N 1 0 374.444 3.875 50 0 FHAARO COc1cccc(OC)c1C(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012597752 570753303 /nfs/dbraw/zinc/75/33/03/570753303.db2.gz YSTJXVOSKQRGJP-INIZCTEOSA-N 1 0 360.498 3.621 50 0 FHAARO CCOC(=O)C1(CCOC)CC[NH+](CC[C@H](C)c2ccc(C)o2)CC1 ZINC000012718740 570758416 /nfs/dbraw/zinc/75/84/16/570758416.db2.gz QTEFBZJUAJRWLT-INIZCTEOSA-N 1 0 351.487 3.763 50 0 FHAARO CC(C)c1cc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)on1 ZINC000012748278 570759425 /nfs/dbraw/zinc/75/94/25/570759425.db2.gz VZLJDHMETBCSOO-LJQANCHMSA-N 1 0 369.509 3.967 50 0 FHAARO O=C(Cc1ccc(F)cc1F)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012836161 570765278 /nfs/dbraw/zinc/76/52/78/570765278.db2.gz HULCIPSMEXOPNR-GOSISDBHSA-N 1 0 350.453 3.668 50 0 FHAARO O=C(CCOc1cccc(Cl)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032655432 570766582 /nfs/dbraw/zinc/76/65/82/570766582.db2.gz LMJRXYKBTAWLQA-UHFFFAOYSA-N 1 0 372.896 3.890 50 0 FHAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000013326005 570776265 /nfs/dbraw/zinc/77/62/65/570776265.db2.gz CGGJEMOKZMRONL-GFCCVEGCSA-N 1 0 359.297 3.751 50 0 FHAARO Cc1cccc(O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000013331815 570777056 /nfs/dbraw/zinc/77/70/56/570777056.db2.gz YBKTUHWOCRDHEJ-GOSISDBHSA-N 1 0 352.478 3.543 50 0 FHAARO O=C(C[n+]1cn(C(F)F)c2ccccc21)c1ccc(Br)cc1 ZINC000013522820 570778878 /nfs/dbraw/zinc/77/88/78/570778878.db2.gz DZEABRCPRXCHIO-UHFFFAOYSA-N 1 0 366.185 3.969 50 0 FHAARO COc1ccc(-c2ccc(C[NH2+]CCCN3CCCC3=O)o2)cc1Cl ZINC000013727909 570788130 /nfs/dbraw/zinc/78/81/30/570788130.db2.gz MLOFEYGSTCQMSJ-UHFFFAOYSA-N 1 0 362.857 3.711 50 0 FHAARO COc1ccc([C@H](C)[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1F ZINC000032751161 570792166 /nfs/dbraw/zinc/79/21/66/570792166.db2.gz KPCJFBUWSHCIGF-UQASEVPWSA-N 1 0 373.468 3.940 50 0 FHAARO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)o1 ZINC000005688974 570815145 /nfs/dbraw/zinc/81/51/45/570815145.db2.gz HUWLOINHUFTGDW-UHFFFAOYSA-N 1 0 369.509 3.701 50 0 FHAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1cccs1 ZINC000014244621 570815407 /nfs/dbraw/zinc/81/54/07/570815407.db2.gz WMTMSWVVNHRGQU-CQSZACIVSA-N 1 0 371.506 3.710 50 0 FHAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH2+]C1CCCC1)CC2 ZINC000014543784 570819526 /nfs/dbraw/zinc/81/95/26/570819526.db2.gz MVSCXFGPTCGQMV-GOSISDBHSA-N 1 0 372.557 3.555 50 0 FHAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1ccccc1F ZINC000014887870 570825305 /nfs/dbraw/zinc/82/53/05/570825305.db2.gz FSYZHJLUTXMFNO-SFHVURJKSA-N 1 0 374.431 3.515 50 0 FHAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)CC1 ZINC000014968576 570827228 /nfs/dbraw/zinc/82/72/28/570827228.db2.gz JOBMAYSEKHQQOS-MRXNPFEDSA-N 1 0 362.901 3.554 50 0 FHAARO COc1cccc2c1OC[C@H]([NH2+]Cc1scnc1-c1ccccc1)C2 ZINC000014979348 570828056 /nfs/dbraw/zinc/82/80/56/570828056.db2.gz OLIIAFGPTRTPFH-MRXNPFEDSA-N 1 0 352.459 3.912 50 0 FHAARO O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000015072873 570831471 /nfs/dbraw/zinc/83/14/71/570831471.db2.gz OHIGGIXSAMSZFB-SFHVURJKSA-N 1 0 364.493 3.879 50 0 FHAARO O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000015679402 570842731 /nfs/dbraw/zinc/84/27/31/570842731.db2.gz MVDSMBSSSRMOBK-UHFFFAOYSA-N 1 0 372.900 3.821 50 0 FHAARO Fc1nc(N2CC[NH2+]CC2)c(F)c(Sc2ccc(Cl)cc2)c1F ZINC000004577741 570843967 /nfs/dbraw/zinc/84/39/67/570843967.db2.gz ZZITYBWBAALKMX-UHFFFAOYSA-N 1 0 359.804 3.713 50 0 FHAARO O=C(COc1ccccc1Cl)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000015831518 570844319 /nfs/dbraw/zinc/84/43/19/570844319.db2.gz FCBLKZNVVFFOGF-MRXNPFEDSA-N 1 0 350.890 3.586 50 0 FHAARO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)ccc1OCC(N)=O ZINC000015836823 570844938 /nfs/dbraw/zinc/84/49/38/570844938.db2.gz DQOLEYCTLQZNFT-LJQANCHMSA-N 1 0 368.477 3.595 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCC2)o1 ZINC000015860251 570846476 /nfs/dbraw/zinc/84/64/76/570846476.db2.gz OADIGQIDOCUZHY-LJQANCHMSA-N 1 0 356.466 3.537 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)[NH+]2CCCCC2)o1 ZINC000015860198 570846789 /nfs/dbraw/zinc/84/67/89/570846789.db2.gz YUTOQRQBEVUUOZ-IBGZPJMESA-N 1 0 370.493 3.927 50 0 FHAARO CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NC1CC[NH+](CC)CC1 ZINC000016580755 570858540 /nfs/dbraw/zinc/85/85/40/570858540.db2.gz GIEKRXOMYIEABJ-HNNXBMFYSA-N 1 0 359.297 3.751 50 0 FHAARO C[N@H+](CC(=O)NCCc1c[nH]c2ccccc12)[C@H]1CCCc2ccccc21 ZINC000016695830 570860776 /nfs/dbraw/zinc/86/07/76/570860776.db2.gz FBAAQKPFDHBSSS-QFIPXVFZSA-N 1 0 361.489 3.836 50 0 FHAARO COc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1Br ZINC000019364410 570887312 /nfs/dbraw/zinc/88/73/12/570887312.db2.gz MODZMCLSWFRKBA-UHFFFAOYSA-N 1 0 353.304 3.518 50 0 FHAARO Cc1nc(COc2ccc(CN3CC[N@@H+](C)C[C@H]3C(C)C)cc2)cs1 ZINC000108176562 570904220 /nfs/dbraw/zinc/90/42/20/570904220.db2.gz KFMPBRJAUNHGES-FQEVSTJZSA-N 1 0 359.539 3.803 50 0 FHAARO O=C1C[C@H]([NH2+]C23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Cl)cc1 ZINC000020011062 570908227 /nfs/dbraw/zinc/90/82/27/570908227.db2.gz ACCDXJPYCWXBQE-UTNBAMHJSA-N 1 0 358.869 3.530 50 0 FHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000020385477 570914884 /nfs/dbraw/zinc/91/48/84/570914884.db2.gz JSEONQZWIWDTOM-MRXNPFEDSA-N 1 0 353.445 3.637 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000045979156 570917407 /nfs/dbraw/zinc/91/74/07/570917407.db2.gz QWTSRADLSWNJPA-LLVKDONJSA-N 1 0 364.437 3.796 50 0 FHAARO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000045979159 570917418 /nfs/dbraw/zinc/91/74/18/570917418.db2.gz QWTSRADLSWNJPA-NSHDSACASA-N 1 0 364.437 3.796 50 0 FHAARO OCC[C@H]1CN(Cc2ccccc2C(F)(F)F)CC[N@@H+]1C1CCCC1 ZINC000020915105 570926621 /nfs/dbraw/zinc/92/66/21/570926621.db2.gz BTGXRUHLKNVTCF-KRWDZBQOSA-N 1 0 356.432 3.517 50 0 FHAARO Cc1ccc2[nH]c(C[N@@H+](C)C[C@@]3(c4ccc(F)cc4)CCOC3)nc2c1 ZINC000020865287 570926059 /nfs/dbraw/zinc/92/60/59/570926059.db2.gz INQLKLBSWAVADH-NRFANRHFSA-N 1 0 353.441 3.801 50 0 FHAARO Cn1ccnc1[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1 ZINC000021600934 570931853 /nfs/dbraw/zinc/93/18/53/570931853.db2.gz QSUMDFGICLKQHG-IUODEOHRSA-N 1 0 372.683 3.863 50 0 FHAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000048345193 570949237 /nfs/dbraw/zinc/94/92/37/570949237.db2.gz UOFPRTZYAHBVKY-UHFFFAOYSA-N 1 0 352.482 3.670 50 0 FHAARO CCC(CC)[C@H](CNC(=O)c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000022755245 570949264 /nfs/dbraw/zinc/94/92/64/570949264.db2.gz JWZQFBHGFZKQNR-KRWDZBQOSA-N 1 0 373.324 3.860 50 0 FHAARO CCOc1cc(C[NH2+]Cc2ccccc2C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000022782215 570950112 /nfs/dbraw/zinc/95/01/12/570950112.db2.gz ZBRVBNPUKXMEJP-KRWDZBQOSA-N 1 0 370.493 3.539 50 0 FHAARO CCCc1ncc(CN(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cn1 ZINC000022852432 570951658 /nfs/dbraw/zinc/95/16/58/570951658.db2.gz JQEORYDMNVIEMT-OAQYLSRUSA-N 1 0 352.526 3.568 50 0 FHAARO C[C@H](C(=O)Nc1cccc(Cl)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022916319 570952498 /nfs/dbraw/zinc/95/24/98/570952498.db2.gz ICRCWILFHAMNGS-QGZVFWFLSA-N 1 0 371.912 3.527 50 0 FHAARO CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000022923122 570953181 /nfs/dbraw/zinc/95/31/81/570953181.db2.gz ZITJEYGHRXEHNH-PMACEKPBSA-N 1 0 363.590 3.658 50 0 FHAARO COCC1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000112355031 570958076 /nfs/dbraw/zinc/95/80/76/570958076.db2.gz RNDXQNCIVXZPNO-HXUWFJFHSA-N 1 0 356.441 3.864 50 0 FHAARO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)cc1 ZINC000048784927 570959460 /nfs/dbraw/zinc/95/94/60/570959460.db2.gz FHJMVWZKLOKSLC-UHFFFAOYSA-N 1 0 363.465 3.896 50 0 FHAARO OCC[C@H]1CN(Cc2cccc3cnccc32)CC[N@@H+]1CC1CCCCC1 ZINC000023373174 570962478 /nfs/dbraw/zinc/96/24/78/570962478.db2.gz JAQZJPCZJWIYOJ-QFIPXVFZSA-N 1 0 367.537 3.684 50 0 FHAARO Cn1c2ccccc2nc1CN1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000023375259 570962707 /nfs/dbraw/zinc/96/27/07/570962707.db2.gz JTSNHBSUZZFHMH-HXUWFJFHSA-N 1 0 362.521 3.712 50 0 FHAARO COc1ccc(CC[NH2+]Cc2cc(OC)c(OC(F)F)c(OC)c2)cc1 ZINC000023409452 570963117 /nfs/dbraw/zinc/96/31/17/570963117.db2.gz RNSWVILTDQBSTL-UHFFFAOYSA-N 1 0 367.392 3.646 50 0 FHAARO Cc1ccc2c(c1)nc(-c1cnn(-c3cc[nH+]c(C)c3)c1)cc2C(=O)N(C)C ZINC000023478260 570964230 /nfs/dbraw/zinc/96/42/30/570964230.db2.gz GCWUNXCBDFDMGM-UHFFFAOYSA-N 1 0 371.444 3.801 50 0 FHAARO Cc1c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)sc2nc(C)nc(C)c12 ZINC000025332079 570994397 /nfs/dbraw/zinc/99/43/97/570994397.db2.gz UHIJYTSGNOOYRA-AWEZNQCLSA-N 1 0 374.535 3.711 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000025421994 570995512 /nfs/dbraw/zinc/99/55/12/570995512.db2.gz XDRQLLLLMFXKOG-NRFANRHFSA-N 1 0 364.489 3.557 50 0 FHAARO Cc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccc(C)n4)C3)C2=O)c1 ZINC000012448925 570996506 /nfs/dbraw/zinc/99/65/06/570996506.db2.gz MXAQRPDUXDOYEA-HSZRJFAPSA-N 1 0 363.505 3.713 50 0 FHAARO CCN1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000025606645 570997670 /nfs/dbraw/zinc/99/76/70/570997670.db2.gz XFYNEJAINDSACU-PKOBYXMFSA-N 1 0 367.493 3.880 50 0 FHAARO COc1ccc(CC[N@H+](C)Cn2cnc3cc(C)c(C)cc32)cc1OC ZINC000025776914 571000723 /nfs/dbraw/zinc/00/07/23/571000723.db2.gz JCUCIQLKMUMAAM-UHFFFAOYSA-N 1 0 353.466 3.802 50 0 FHAARO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027333653 571011562 /nfs/dbraw/zinc/01/15/62/571011562.db2.gz USEMTEUXFTWTGY-WMLDXEAASA-N 1 0 362.857 3.654 50 0 FHAARO COc1cccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000027340894 571011935 /nfs/dbraw/zinc/01/19/35/571011935.db2.gz RPQKUHTXEPAECY-HXUWFJFHSA-N 1 0 372.896 3.844 50 0 FHAARO COc1cccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000027340895 571012220 /nfs/dbraw/zinc/01/22/20/571012220.db2.gz RPQKUHTXEPAECY-FQEVSTJZSA-N 1 0 372.896 3.844 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000027592047 571015983 /nfs/dbraw/zinc/01/59/83/571015983.db2.gz KMARFWVFCBSPCP-KRWDZBQOSA-N 1 0 368.374 3.806 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCCC2)cc1 ZINC000027794439 571021686 /nfs/dbraw/zinc/02/16/86/571021686.db2.gz AJKBFQVPMLXCAV-OAQYLSRUSA-N 1 0 352.478 3.636 50 0 FHAARO C[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000028305018 571024827 /nfs/dbraw/zinc/02/48/27/571024827.db2.gz JJLDTVHRWIZORM-LLVKDONJSA-N 1 0 353.249 3.708 50 0 FHAARO CCc1ccc(OCC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000028292414 571030503 /nfs/dbraw/zinc/03/05/03/571030503.db2.gz HAGHUMKULFCCMQ-OAQYLSRUSA-N 1 0 354.494 3.827 50 0 FHAARO COc1ccc(F)c2[nH]c(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc21 ZINC000225415821 571033998 /nfs/dbraw/zinc/03/39/98/571033998.db2.gz NCCCMGUTHPFEBI-AWEZNQCLSA-N 1 0 361.461 3.700 50 0 FHAARO CC(C)C[C@@H](CNC(=O)NCc1ccncc1)[NH2+][C@H](C)c1ccccc1 ZINC000072289618 571044188 /nfs/dbraw/zinc/04/41/88/571044188.db2.gz XCKBBVGNAKUILG-XLIONFOSSA-N 1 0 354.498 3.646 50 0 FHAARO COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000038629325 571047566 /nfs/dbraw/zinc/04/75/66/571047566.db2.gz AXHYHAIDXRDCOY-ZDUSSCGKSA-N 1 0 353.875 3.835 50 0 FHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCc1cn2ccccc2n1 ZINC000030661832 571048734 /nfs/dbraw/zinc/04/87/34/571048734.db2.gz FPVHQCPNMHXBHP-UHFFFAOYSA-N 1 0 363.440 3.608 50 0 FHAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000030762508 571049841 /nfs/dbraw/zinc/04/98/41/571049841.db2.gz FJOQQOAZBWUCDR-JOCHJYFZSA-N 1 0 364.489 3.745 50 0 FHAARO O=C(c1ccccc1OC1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCCC1 ZINC000012707677 571051122 /nfs/dbraw/zinc/05/11/22/571051122.db2.gz PIIIHGRFFPULRO-QGZVFWFLSA-N 1 0 374.550 3.661 50 0 FHAARO CC(C)c1ncc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)cn1 ZINC000670473827 571059081 /nfs/dbraw/zinc/05/90/81/571059081.db2.gz XYLBJYNDADHGTA-HXUWFJFHSA-N 1 0 366.509 3.947 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(C)=O)s1)c1cccc(OC)c1 ZINC000012745158 571064916 /nfs/dbraw/zinc/06/49/16/571064916.db2.gz DLQBWSJUBPKEQG-KRWDZBQOSA-N 1 0 374.506 3.772 50 0 FHAARO CCCC[NH2+]C[C@H](O)COc1ccc2ccccc2c1Br ZINC000016667157 571070063 /nfs/dbraw/zinc/07/00/63/571070063.db2.gz XDXSUBSIRLQAPY-AWEZNQCLSA-N 1 0 352.272 3.732 50 0 FHAARO O=C(C1CC[NH+](CCCc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000015856115 571070243 /nfs/dbraw/zinc/07/02/43/571070243.db2.gz CBWFIUPCVCXJOE-UHFFFAOYSA-N 1 0 362.517 3.916 50 0 FHAARO CC[C@@H](CO)[N@H+](Cc1cc(C)c(C(=O)OC)o1)[C@@H]1CCc2ccccc2C1 ZINC000225844662 571073802 /nfs/dbraw/zinc/07/38/02/571073802.db2.gz HABJNJDPBAXJAT-RBUKOAKNSA-N 1 0 371.477 3.505 50 0 FHAARO Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000040087479 571074006 /nfs/dbraw/zinc/07/40/06/571074006.db2.gz WFCSZMVUIYCNAC-GASCZTMLSA-N 1 0 358.507 3.596 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1N1CCCC1)c1cccs1 ZINC000040103779 571076562 /nfs/dbraw/zinc/07/65/62/571076562.db2.gz HXEBYPOWTJUERL-KRWDZBQOSA-N 1 0 358.511 3.773 50 0 FHAARO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000040157631 571088290 /nfs/dbraw/zinc/08/82/90/571088290.db2.gz HBOWMRUGUMLAJO-IBGZPJMESA-N 1 0 356.441 3.619 50 0 FHAARO C[C@@H](NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(Br)cc1 ZINC000229354586 571094158 /nfs/dbraw/zinc/09/41/58/571094158.db2.gz SFDKTGSMFOUREQ-MGPQQGTHSA-N 1 0 353.304 3.604 50 0 FHAARO C[C@H](CNC(=S)NCCSc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000245225447 571094610 /nfs/dbraw/zinc/09/46/10/571094610.db2.gz VLNDUWHWWIRHLU-HZPDHXFCSA-N 1 0 351.585 3.506 50 0 FHAARO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000014110199 571097571 /nfs/dbraw/zinc/09/75/71/571097571.db2.gz DVZHCVANKATPKQ-WDEREUQCSA-N 1 0 366.330 3.889 50 0 FHAARO Cc1c(C)n(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccc(F)cc12 ZINC000012422011 571098244 /nfs/dbraw/zinc/09/82/44/571098244.db2.gz OHVXYJFAJZYCHN-HXUWFJFHSA-N 1 0 352.453 3.816 50 0 FHAARO CCCS(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000069619435 571100153 /nfs/dbraw/zinc/10/01/53/571100153.db2.gz KFELUJACWIDUKD-INIZCTEOSA-N 1 0 360.523 3.695 50 0 FHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H](c2ccccc2)C1 ZINC000069878270 571104776 /nfs/dbraw/zinc/10/47/76/571104776.db2.gz LKQDIWQNXVMDDF-QFIPXVFZSA-N 1 0 363.505 3.634 50 0 FHAARO CC(C)c1nc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)no1 ZINC000426635322 571105499 /nfs/dbraw/zinc/10/54/99/571105499.db2.gz JJRJGVNUFWPLIG-HXUWFJFHSA-N 1 0 358.461 3.825 50 0 FHAARO COc1ccc2c(c1)CCN(C(=O)c1ccc(C[NH+]3CCC(C)CC3)o1)C2 ZINC000241081857 571109223 /nfs/dbraw/zinc/10/92/23/571109223.db2.gz YRGVQZQNLBBIJU-UHFFFAOYSA-N 1 0 368.477 3.719 50 0 FHAARO CCOC(=O)c1c(C)oc2ncnc(NCCC[NH+]3[C@@H](C)CCC[C@@H]3C)c21 ZINC000015727264 571110302 /nfs/dbraw/zinc/11/03/02/571110302.db2.gz BZVLZVQHRGFZNZ-KBPBESRZSA-N 1 0 374.485 3.773 50 0 FHAARO O=C(c1cc(C2CC2)on1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000241809990 571110542 /nfs/dbraw/zinc/11/05/42/571110542.db2.gz SCFUTXMZQFWOKF-PMACEKPBSA-N 1 0 365.477 3.821 50 0 FHAARO COCCc1noc([C@@H]2CCC[N@H+](Cc3cc(C4CCCCC4)no3)C2)n1 ZINC000244716119 571114966 /nfs/dbraw/zinc/11/49/66/571114966.db2.gz LIUPAGXFDUGXLE-MRXNPFEDSA-N 1 0 374.485 3.674 50 0 FHAARO O=C(NCc1cc(-c2ccc(F)cc2)no1)C1([NH+]2CCCC2)CCCC1 ZINC000244715888 571115058 /nfs/dbraw/zinc/11/50/58/571115058.db2.gz LEAKEUDVJADAFU-UHFFFAOYSA-N 1 0 357.429 3.506 50 0 FHAARO CC(C)n1c(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)nc2ccccc21 ZINC000248001954 571126914 /nfs/dbraw/zinc/12/69/14/571126914.db2.gz OCFCYUVNPSNDRI-SFHVURJKSA-N 1 0 368.525 3.842 50 0 FHAARO CC[NH+]1CCN(c2ccc(N[C@H](C)c3nc(C(C)C)no3)c(C)c2)CC1 ZINC000058178154 571127439 /nfs/dbraw/zinc/12/74/39/571127439.db2.gz NIVRIXGJLYLONO-MRXNPFEDSA-N 1 0 357.502 3.816 50 0 FHAARO CCCCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000248229091 571128147 /nfs/dbraw/zinc/12/81/47/571128147.db2.gz KDUBFNQGNXGPIS-GOSISDBHSA-N 1 0 370.541 3.917 50 0 FHAARO FC(F)n1ccnc1CN1CC[NH+]([C@H]2CCCCc3ccccc32)CC1 ZINC000086230360 571128769 /nfs/dbraw/zinc/12/87/69/571128769.db2.gz GRPGPWNSIUXUMO-SFHVURJKSA-N 1 0 360.452 3.864 50 0 FHAARO Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(C)c1 ZINC000015831702 571130915 /nfs/dbraw/zinc/13/09/15/571130915.db2.gz WRWJUMPCBHBNGD-HXUWFJFHSA-N 1 0 351.494 3.990 50 0 FHAARO O=C(NC1CCCCC1)[C@H]1CCC[N@H+](CCCc2nc3ccccc3o2)C1 ZINC000058411605 571132648 /nfs/dbraw/zinc/13/26/48/571132648.db2.gz HSITYZIOQAOQTI-KRWDZBQOSA-N 1 0 369.509 3.921 50 0 FHAARO CC(C)n1ccnc1[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000252500139 571133497 /nfs/dbraw/zinc/13/34/97/571133497.db2.gz SNOVPDRTNXQMEM-KRWDZBQOSA-N 1 0 351.454 3.894 50 0 FHAARO COc1ccc2c(c1)C=C(C[N@@H+]1CCc3cc(OC)c(OC)cc3C1)CO2 ZINC000207445976 571134139 /nfs/dbraw/zinc/13/41/39/571134139.db2.gz DGDSJPRBBBMOQC-UHFFFAOYSA-N 1 0 367.445 3.547 50 0 FHAARO O=C(Cc1ccccc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000015880240 571140678 /nfs/dbraw/zinc/14/06/78/571140678.db2.gz ULNIXDJXVAENDT-UHFFFAOYSA-N 1 0 363.486 3.883 50 0 FHAARO C[NH+](C)Cc1ccccc1CNC(=O)Cc1c(Cl)cccc1Cl ZINC000012904139 571143348 /nfs/dbraw/zinc/14/33/48/571143348.db2.gz GENQZHYYLYMHMX-UHFFFAOYSA-N 1 0 351.277 3.914 50 0 FHAARO CC(C)(CNC(=O)CCc1cccc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025463699 571147183 /nfs/dbraw/zinc/14/71/83/571147183.db2.gz KLKNGPHQXSWEHR-UHFFFAOYSA-N 1 0 354.469 3.711 50 0 FHAARO COc1ccc(-c2nc(CN3CCC[C@@H](C[NH3+])C3)c(C)o2)c2ccccc12 ZINC000067886173 571151090 /nfs/dbraw/zinc/15/10/90/571151090.db2.gz WJPRZVRZJKYZPZ-INIZCTEOSA-N 1 0 365.477 3.983 50 0 FHAARO CS[C@@H](C)CC[N@@H+]1CCOc2c(O)cc(-c3nc(C)cnc3C)cc2C1 ZINC000067895468 571151636 /nfs/dbraw/zinc/15/16/36/571151636.db2.gz KVGQGHQFDGPKCT-AWEZNQCLSA-N 1 0 373.522 3.802 50 0 FHAARO CCC[NH+]1CCC(Cc2noc(-c3cc4cccnc4nc3C)n2)CC1 ZINC000067968048 571152691 /nfs/dbraw/zinc/15/26/91/571152691.db2.gz PCXASMAGBAVJNN-UHFFFAOYSA-N 1 0 351.454 3.653 50 0 FHAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000072414634 571159119 /nfs/dbraw/zinc/15/91/19/571159119.db2.gz KRMAINHNNKRCSK-UHFFFAOYSA-N 1 0 373.733 3.657 50 0 FHAARO CC(C)[NH+]1CCC(c2nc([C@@]3(c4ccc(F)cc4)CCOC3)no2)CC1 ZINC000071278874 571160659 /nfs/dbraw/zinc/16/06/59/571160659.db2.gz XAGDRHKREMCBSN-FQEVSTJZSA-N 1 0 359.445 3.503 50 0 FHAARO COCc1ncc(C[N@@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)cn1 ZINC000071498048 571162658 /nfs/dbraw/zinc/16/26/58/571162658.db2.gz CVQHVQIIMPTYLX-MRXNPFEDSA-N 1 0 361.436 3.746 50 0 FHAARO CCC[NH+]1CCN(c2ncnc3scc(-c4ccc(OC)cc4)c32)CC1 ZINC000015169246 571163975 /nfs/dbraw/zinc/16/39/75/571163975.db2.gz VBFGHXWMKNIYSC-UHFFFAOYSA-N 1 0 368.506 3.899 50 0 FHAARO COc1ccc(F)c(-c2nc(CN3CC([N@@H+]4CCCC[C@@H]4C)C3)c(C)o2)c1 ZINC000071746741 571164331 /nfs/dbraw/zinc/16/43/31/571164331.db2.gz ZVTUPVQNICPZKO-AWEZNQCLSA-N 1 0 373.472 3.856 50 0 FHAARO c1cc(-c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)[C@@H]4[C@H]3C3CCN4CC3)o2)n[nH]1 ZINC000071747051 571164372 /nfs/dbraw/zinc/16/43/72/571164372.db2.gz IWZCLXJABDVVJF-WWPVKYPJSA-N 1 0 374.488 3.732 50 0 FHAARO CC(C)[C@H]1C[N@H+](CCc2ccccn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071749717 571164730 /nfs/dbraw/zinc/16/47/30/571164730.db2.gz LPQQFSFTTRCJFW-OAQYLSRUSA-N 1 0 369.484 3.522 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2cccc3ncccc32)CCC[N@@H+]1CC1CC1 ZINC000071758951 571165580 /nfs/dbraw/zinc/16/55/80/571165580.db2.gz JUSYFAPUAGKQMV-OAQYLSRUSA-N 1 0 351.494 3.817 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2ccc3ncsc3c2)CCC[N@@H+]1CC1CC1 ZINC000071764595 571166029 /nfs/dbraw/zinc/16/60/29/571166029.db2.gz RZAMGRHBFZKFDQ-GOSISDBHSA-N 1 0 357.523 3.879 50 0 FHAARO Cn1c2ccccc2nc1C[C@@H](O)C[N@H+](Cc1ccccc1)C(C)(C)C ZINC000071767426 571166038 /nfs/dbraw/zinc/16/60/38/571166038.db2.gz JIXSMHSSHXNQGH-GOSISDBHSA-N 1 0 351.494 3.777 50 0 FHAARO Cc1ccc(C2=NC3(CC[NH+](Cc4ccccc4C)CC3)NC2=O)cc1C ZINC000035430841 571169455 /nfs/dbraw/zinc/16/94/55/571169455.db2.gz OEAMCYAGTMZBCE-UHFFFAOYSA-N 1 0 361.489 3.523 50 0 FHAARO Cn1c(C[N@@H+]2CCC[C@H](OCc3ccccn3)C2)cc2cc(F)ccc21 ZINC000072129707 571171101 /nfs/dbraw/zinc/17/11/01/571171101.db2.gz KFWUVHXNCNFEMZ-FQEVSTJZSA-N 1 0 353.441 3.894 50 0 FHAARO CC(C)([NH3+])C(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000072143097 571171978 /nfs/dbraw/zinc/17/19/78/571171978.db2.gz APUUSSGQYRMAIJ-QGZVFWFLSA-N 1 0 366.461 3.638 50 0 FHAARO COc1coc(C[N@@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)cc1=O ZINC000072144871 571172727 /nfs/dbraw/zinc/17/27/27/571172727.db2.gz VEAQMNHTJHVFIY-OAHLLOKOSA-N 1 0 363.404 3.771 50 0 FHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000012510772 571173494 /nfs/dbraw/zinc/17/34/94/571173494.db2.gz BUDDAEKOVXXYAG-UHFFFAOYSA-N 1 0 357.885 3.581 50 0 FHAARO c1ccc2c(c1)CC[N@@H+](C1CCN(Cc3cccc4nccnc34)CC1)C2 ZINC000072150973 571174512 /nfs/dbraw/zinc/17/45/12/571174512.db2.gz SLRNLYBVCZPUEL-UHFFFAOYSA-N 1 0 358.489 3.653 50 0 FHAARO Cn1ccnc1[C@H](NC(=O)COc1cccc2ccccc21)c1ccccc1 ZINC000012530319 571174896 /nfs/dbraw/zinc/17/48/96/571174896.db2.gz KXETUONTIZQDQN-JOCHJYFZSA-N 1 0 371.440 3.858 50 0 FHAARO Cc1ccc(CC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC000012533989 571175556 /nfs/dbraw/zinc/17/55/56/571175556.db2.gz YEVLDUDAOJFOBH-UHFFFAOYSA-N 1 0 357.885 3.581 50 0 FHAARO CC(C)[C@H](C[NH2+]Cc1ccccc1N1CCOCC1)Nc1ccccc1 ZINC000118449307 571175961 /nfs/dbraw/zinc/17/59/61/571175961.db2.gz UGSIOUVMXMSYBZ-NRFANRHFSA-N 1 0 353.510 3.750 50 0 FHAARO Cc1ncc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1C ZINC000072162385 571175995 /nfs/dbraw/zinc/17/59/95/571175995.db2.gz PMMPXAKXIWSHGX-UHFFFAOYSA-N 1 0 360.505 3.636 50 0 FHAARO Cc1ccc(CNC(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000072163130 571176133 /nfs/dbraw/zinc/17/61/33/571176133.db2.gz XGMILALWDUPECP-NRFANRHFSA-N 1 0 351.494 3.501 50 0 FHAARO C[N@H+](CCNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000229627135 571178102 /nfs/dbraw/zinc/17/81/02/571178102.db2.gz MWSPFSWORZCJRX-HZPDHXFCSA-N 1 0 357.420 3.539 50 0 FHAARO CCCc1nn2c(nc(C[N@H+](CCC)Cc3ccc(C)cc3)cc2=O)s1 ZINC000035509796 571179565 /nfs/dbraw/zinc/17/95/65/571179565.db2.gz QPUKJXWQNASUPT-UHFFFAOYSA-N 1 0 370.522 3.824 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2C)CC1 ZINC000012554590 571180752 /nfs/dbraw/zinc/18/07/52/571180752.db2.gz HFIAAHHMJUQZKJ-SFHVURJKSA-N 1 0 367.493 3.543 50 0 FHAARO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CCCC[C@H]2C)cs1 ZINC000012999103 571187350 /nfs/dbraw/zinc/18/73/50/571187350.db2.gz HGQXXZLZNMWDQB-CQSZACIVSA-N 1 0 355.507 3.882 50 0 FHAARO Cc1[nH]c2ccc(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)cc2c1C ZINC000013007719 571187968 /nfs/dbraw/zinc/18/79/68/571187968.db2.gz VAWQHIUJWIOBSU-HXUWFJFHSA-N 1 0 353.441 3.957 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 ZINC000013011228 571188606 /nfs/dbraw/zinc/18/86/06/571188606.db2.gz CSNPDIOFWORERT-ICSRJNTNSA-N 1 0 354.519 3.903 50 0 FHAARO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000299755212 571191889 /nfs/dbraw/zinc/19/18/89/571191889.db2.gz BHUKORVWULJCOL-SFHVURJKSA-N 1 0 358.413 3.619 50 0 FHAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(Oc3cccnc3)cc1)C2 ZINC000299757126 571192479 /nfs/dbraw/zinc/19/24/79/571192479.db2.gz IALOPXIBNZEZFP-DLBZAZTESA-N 1 0 352.438 3.574 50 0 FHAARO Clc1ccc(Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)cc1Cl ZINC000072417763 571192687 /nfs/dbraw/zinc/19/26/87/571192687.db2.gz VXAAYCLEUJNWKO-UHFFFAOYSA-N 1 0 362.264 3.595 50 0 FHAARO COc1ccc(OCCC[NH3+])c(C(=O)N[C@@H](C)c2ccc(C)cc2C)c1 ZINC000299758403 571192767 /nfs/dbraw/zinc/19/27/67/571192767.db2.gz KNVVCKLDCBSJNS-INIZCTEOSA-N 1 0 356.466 3.531 50 0 FHAARO COc1ccc(OCCC[NH3+])c(C(=O)N[C@H](C)c2ccc(C)cc2C)c1 ZINC000299758406 571192906 /nfs/dbraw/zinc/19/29/06/571192906.db2.gz KNVVCKLDCBSJNS-MRXNPFEDSA-N 1 0 356.466 3.531 50 0 FHAARO Cc1cccc2cc(C[N@H+]3CCC(=O)NC[C@@H]3C)c(-c3cccs3)nc12 ZINC000072419492 571192941 /nfs/dbraw/zinc/19/29/41/571192941.db2.gz CXSZRFSLEVQLHR-HNNXBMFYSA-N 1 0 365.502 3.982 50 0 FHAARO Cc1nc(CC2CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)CC2)no1 ZINC000072424892 571194231 /nfs/dbraw/zinc/19/42/31/571194231.db2.gz LURZULUQCOAYTJ-UHFFFAOYSA-N 1 0 357.498 3.536 50 0 FHAARO CCN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(-c2nc(C)c(C)s2)c1 ZINC000299764777 571194322 /nfs/dbraw/zinc/19/43/22/571194322.db2.gz FFJNKZMWPQCLST-MRXNPFEDSA-N 1 0 357.523 3.841 50 0 FHAARO COc1cccc(-c2nc(C[N@H+](C)[C@H](C)Cc3cnccn3)c(C)o2)c1 ZINC000299765996 571194544 /nfs/dbraw/zinc/19/45/44/571194544.db2.gz ZAXXPTLDSQDEHN-CQSZACIVSA-N 1 0 352.438 3.512 50 0 FHAARO CC(C)c1cc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)on1 ZINC000072428021 571194753 /nfs/dbraw/zinc/19/47/53/571194753.db2.gz CSSKZHQUEZEJSE-UHFFFAOYSA-N 1 0 357.498 3.525 50 0 FHAARO Cc1ccc2cc(C[N@@H+]3CCC[C@](O)(CO)C3)c(-c3cccs3)nc2c1 ZINC000072428117 571194897 /nfs/dbraw/zinc/19/48/97/571194897.db2.gz OULMRGPQIROQQZ-OAQYLSRUSA-N 1 0 368.502 3.591 50 0 FHAARO Cn1cc(C[N@H+](C)CC[C@@H](O)c2ccccc2)c(-c2ccccc2F)n1 ZINC000072429738 571195557 /nfs/dbraw/zinc/19/55/57/571195557.db2.gz YLYJUXCMEBZUCI-HXUWFJFHSA-N 1 0 353.441 3.782 50 0 FHAARO O=C(Cc1ccccc1)[C@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000072439385 571196838 /nfs/dbraw/zinc/19/68/38/571196838.db2.gz WQPHAWBJWLTNBF-FQEVSTJZSA-N 1 0 372.472 3.562 50 0 FHAARO CCc1csc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299776723 571197015 /nfs/dbraw/zinc/19/70/15/571197015.db2.gz DHHHAUUAJFSSHU-KSZLIROESA-N 1 0 355.507 3.547 50 0 FHAARO CCN(Cc1ccc(C)o1)C(=O)c1ccc(Cl)cc1OCCC[NH3+] ZINC000299781552 571198370 /nfs/dbraw/zinc/19/83/70/571198370.db2.gz VJBHUASAQZLQGJ-UHFFFAOYSA-N 1 0 350.846 3.631 50 0 FHAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccnc3)C2)cc1 ZINC000072468038 571198382 /nfs/dbraw/zinc/19/83/82/571198382.db2.gz DHZZWFXGGMJFLP-OAQYLSRUSA-N 1 0 366.505 3.880 50 0 FHAARO OC1(c2ccc(Cl)cc2)CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000299790761 571200677 /nfs/dbraw/zinc/20/06/77/571200677.db2.gz BRCSWNJTFWSIFB-FXAWDEMLSA-N 1 0 362.945 3.888 50 0 FHAARO Cc1ccc2c(c1)c1c(n2CCc2ccncc2)CCN(C2CC[NH2+]CC2)C1 ZINC000075567655 571200858 /nfs/dbraw/zinc/20/08/58/571200858.db2.gz YNMXMWVQABCNAW-UHFFFAOYSA-N 1 0 374.532 3.698 50 0 FHAARO C[C@H](CCc1ccco1)[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000097032894 571202042 /nfs/dbraw/zinc/20/20/42/571202042.db2.gz SAWDKTYLNRJOSD-PXAZEXFGSA-N 1 0 350.821 3.788 50 0 FHAARO Cc1ccccc1[C@@H](CNC(=O)N(C)Cc1ccon1)[NH+]1CCC(C)CC1 ZINC000534591690 571205765 /nfs/dbraw/zinc/20/57/65/571205765.db2.gz MNIAMYFCHFIRKX-HXUWFJFHSA-N 1 0 370.497 3.598 50 0 FHAARO Cc1ccc(-c2ccc(CN3CC[C@@](O)(C[NH+]4CCCCC4)C3)o2)cc1 ZINC000077300538 571206611 /nfs/dbraw/zinc/20/66/11/571206611.db2.gz OYXGPFUCYWTCOS-JOCHJYFZSA-N 1 0 354.494 3.678 50 0 FHAARO CCCCN1C[C@]2(CCC[N@H+](Cc3cccc(OC)c3OC)C2)CCC1=O ZINC000077299303 571206775 /nfs/dbraw/zinc/20/67/75/571206775.db2.gz BGNIRXBHPYFJFT-JOCHJYFZSA-N 1 0 374.525 3.709 50 0 FHAARO O=C(N[C@@H](c1cccs1)c1ccccc1)N1CC([NH+]2CCCCC2)C1 ZINC000534656107 571207791 /nfs/dbraw/zinc/20/77/91/571207791.db2.gz XGNIGQIHCNILED-LJQANCHMSA-N 1 0 355.507 3.717 50 0 FHAARO CC(C)=CCC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077344126 571208333 /nfs/dbraw/zinc/20/83/33/571208333.db2.gz FYHRMXXDYWTPQS-QFIPXVFZSA-N 1 0 355.526 3.685 50 0 FHAARO Cc1cc(N2CC[C@@](O)(C[NH+]3CCCCC3)C2)nc2cc(Cl)ccc12 ZINC000077343860 571208469 /nfs/dbraw/zinc/20/84/69/571208469.db2.gz QJFASTUISUSHKW-HXUWFJFHSA-N 1 0 359.901 3.624 50 0 FHAARO CCn1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cn1 ZINC000077376654 571209238 /nfs/dbraw/zinc/20/92/38/571209238.db2.gz RWVKXMFKOJUDFC-KRWDZBQOSA-N 1 0 353.445 3.812 50 0 FHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)CCc2cccnc2)cc1 ZINC000077407475 571210592 /nfs/dbraw/zinc/21/05/92/571210592.db2.gz FYOHPJPTFWIYCV-NRFANRHFSA-N 1 0 351.494 3.830 50 0 FHAARO [NH3+]CCc1cccc(CN2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000077425215 571211224 /nfs/dbraw/zinc/21/12/24/571211224.db2.gz MGPYKAKRFDDYGI-HXUWFJFHSA-N 1 0 352.457 3.930 50 0 FHAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cncc(Cl)c1 ZINC000077437611 571211454 /nfs/dbraw/zinc/21/14/54/571211454.db2.gz XJYNHZPBMIJQBD-UHFFFAOYSA-N 1 0 357.885 3.719 50 0 FHAARO CC(C)Cc1cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)on1 ZINC000077452284 571211975 /nfs/dbraw/zinc/21/19/75/571211975.db2.gz PVRHFFJCBDYUQR-UHFFFAOYSA-N 1 0 369.509 3.654 50 0 FHAARO C[N@H+](Cc1cc(-c2cccnc2)no1)Cc1ccc(Cn2cccn2)cc1 ZINC000077459390 571212302 /nfs/dbraw/zinc/21/23/02/571212302.db2.gz ZIOXTTBEZKZINR-UHFFFAOYSA-N 1 0 359.433 3.613 50 0 FHAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccn2)no1 ZINC000077489125 571213425 /nfs/dbraw/zinc/21/34/25/571213425.db2.gz YQTTVUZSVSIMTJ-KRWDZBQOSA-N 1 0 351.454 3.686 50 0 FHAARO COc1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)ccn1 ZINC000077540190 571215074 /nfs/dbraw/zinc/21/50/74/571215074.db2.gz UXJQPVRQZWOSTR-IBGZPJMESA-N 1 0 353.466 3.519 50 0 FHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3N(C)C)cc2)C1 ZINC000426403455 571220457 /nfs/dbraw/zinc/22/04/57/571220457.db2.gz DPWOKYLLNKDIBA-HXUWFJFHSA-N 1 0 365.521 3.976 50 0 FHAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)c1ccc(-c2cncnc2)cc1 ZINC000426404121 571220609 /nfs/dbraw/zinc/22/06/09/571220609.db2.gz CCWUDFXKVODWNX-UHFFFAOYSA-N 1 0 364.493 3.672 50 0 FHAARO CN(C(=O)c1ccc(-c2ccc(C(=O)C3CC3)cc2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000426412359 571221894 /nfs/dbraw/zinc/22/18/94/571221894.db2.gz INKHOYLJKSTRSR-OAQYLSRUSA-N 1 0 362.473 3.722 50 0 FHAARO CCCn1ncc(C[N@@H+]2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)c1C ZINC000426420862 571222863 /nfs/dbraw/zinc/22/28/63/571222863.db2.gz XZEWJVWROCDWPH-PCCBWWKXSA-N 1 0 361.530 3.540 50 0 FHAARO CC(C)(NC(=O)Cc1cccc(OCC[NH3+])c1)c1cccc2ccccc21 ZINC000426445143 571226093 /nfs/dbraw/zinc/22/60/93/571226093.db2.gz QCVZVOMDNZXMGK-UHFFFAOYSA-N 1 0 362.473 3.771 50 0 FHAARO Cc1ccsc1CN(Cc1ccccn1)C(=O)NC[C@@]1(C)CC[N@@H+](C)C1 ZINC000426470693 571226821 /nfs/dbraw/zinc/22/68/21/571226821.db2.gz PQMGGWKWFFFCGJ-HXUWFJFHSA-N 1 0 372.538 3.505 50 0 FHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)NCCc2ccncc2)cc1 ZINC000426496982 571228455 /nfs/dbraw/zinc/22/84/55/571228455.db2.gz OISMWSLDYNLADW-NRFANRHFSA-N 1 0 366.509 3.623 50 0 FHAARO CC(C)[C@H](CNC(=O)c1cccc(-c2cccc(CO)c2)c1)[NH+]1CCCC1 ZINC000426517538 571229733 /nfs/dbraw/zinc/22/97/33/571229733.db2.gz GAYYJFTUEZWUJK-QFIPXVFZSA-N 1 0 366.505 3.696 50 0 FHAARO C[C@@H](O)c1cccc(-c2cccc(C(=O)NCC[NH+]3CCCCC3)c2)c1 ZINC000426583888 571232473 /nfs/dbraw/zinc/23/24/73/571232473.db2.gz BCXOULHOKAYYDU-QGZVFWFLSA-N 1 0 352.478 3.623 50 0 FHAARO O=C(c1ccc(F)c(F)c1)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651614 571233896 /nfs/dbraw/zinc/23/38/96/571233896.db2.gz MLWJGDMNUGWWIY-UHFFFAOYSA-N 1 0 373.399 3.535 50 0 FHAARO O=C(c1ccc(-c2cnccn2)cc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000426701684 571235753 /nfs/dbraw/zinc/23/57/53/571235753.db2.gz SPINFGDZRQEFKT-UHFFFAOYSA-N 1 0 364.493 3.624 50 0 FHAARO CCC(=O)c1ccc(-c2cccc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2)cc1 ZINC000426716124 571236427 /nfs/dbraw/zinc/23/64/27/571236427.db2.gz PUEVVAFTFUZEJQ-FQEVSTJZSA-N 1 0 350.462 3.722 50 0 FHAARO CC[NH2+]Cc1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000040742845 571238614 /nfs/dbraw/zinc/23/86/14/571238614.db2.gz AQABGLOXYWQARB-UHFFFAOYSA-N 1 0 362.857 3.784 50 0 FHAARO O=C(NCc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000091325870 571239057 /nfs/dbraw/zinc/23/90/57/571239057.db2.gz MZQKZVPKMQOYOC-HNNXBMFYSA-N 1 0 366.383 3.827 50 0 FHAARO COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1 ZINC000091350529 571239266 /nfs/dbraw/zinc/23/92/66/571239266.db2.gz CMHGNQGMMVFZAP-RBUKOAKNSA-N 1 0 364.489 3.681 50 0 FHAARO CCN1CC2(CC[NH+](Cc3ccncc3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091551028 571240467 /nfs/dbraw/zinc/24/04/67/571240467.db2.gz QYVGOLRAZPGKGO-OAQYLSRUSA-N 1 0 363.505 3.700 50 0 FHAARO O=C1CCC2(CC[NH+](C[C@@H]3CC=CCC3)CC2)CN1Cc1cccnc1 ZINC000091551013 571240544 /nfs/dbraw/zinc/24/05/44/571240544.db2.gz AQRRVXGEXWABNE-LJQANCHMSA-N 1 0 353.510 3.643 50 0 FHAARO Cc1ccc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)s1 ZINC000091574356 571240791 /nfs/dbraw/zinc/24/07/91/571240791.db2.gz OCVQBGNSXLAEIR-UHFFFAOYSA-N 1 0 358.555 3.785 50 0 FHAARO CC(C)n1ccnc1C1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000091617101 571241296 /nfs/dbraw/zinc/24/12/96/571241296.db2.gz KFDHYQFKPWTGGJ-UHFFFAOYSA-N 1 0 364.493 3.696 50 0 FHAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(O)cc3)CC2)C1 ZINC000091616279 571241323 /nfs/dbraw/zinc/24/13/23/571241323.db2.gz KEIATPPWIYFRMA-HXUWFJFHSA-N 1 0 364.489 3.734 50 0 FHAARO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)s1 ZINC000036101070 571241515 /nfs/dbraw/zinc/24/15/15/571241515.db2.gz HDWSYWYAGJPRFF-INIZCTEOSA-N 1 0 361.463 3.822 50 0 FHAARO CC(=O)N[C@@H]1C[N@H+](Cc2oc3ccccc3c2C)C[C@H]1c1ccc(C)o1 ZINC000091680508 571242398 /nfs/dbraw/zinc/24/23/98/571242398.db2.gz SKVPXLDFOQLEQZ-QZTJIDSGSA-N 1 0 352.434 3.747 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3nccn3C)CC2)C1 ZINC000091713446 571242753 /nfs/dbraw/zinc/24/27/53/571242753.db2.gz VYOVYETYGDJMIY-HXUWFJFHSA-N 1 0 352.526 3.512 50 0 FHAARO CCCc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2c(C)noc2C)C3)o1 ZINC000091713548 571242768 /nfs/dbraw/zinc/24/27/68/571242768.db2.gz XSKPWPXGQRMTOX-ZWKOTPCHSA-N 1 0 357.498 3.933 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3nccn3C)CC2)C1 ZINC000091713447 571242795 /nfs/dbraw/zinc/24/27/95/571242795.db2.gz VYOVYETYGDJMIY-FQEVSTJZSA-N 1 0 352.526 3.512 50 0 FHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2cnccn2)cc1 ZINC000152113305 571245120 /nfs/dbraw/zinc/24/51/20/571245120.db2.gz PPNYJWHRDNYZEO-UHFFFAOYSA-N 1 0 372.472 3.669 50 0 FHAARO CCCn1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c2cccnc21 ZINC000065216776 571256856 /nfs/dbraw/zinc/25/68/56/571256856.db2.gz XBBDLDOCBXVVPN-UHFFFAOYSA-N 1 0 354.498 3.537 50 0 FHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1coc(C2CCCC2)n1 ZINC000170598452 571266749 /nfs/dbraw/zinc/26/67/49/571266749.db2.gz JXUWVMWPQZKGFO-UHFFFAOYSA-N 1 0 353.466 3.858 50 0 FHAARO COc1cc(OC)c(NC(=O)N2CC[NH+](CCC(C)C)CC2)cc1Cl ZINC000013323163 571270711 /nfs/dbraw/zinc/27/07/11/571270711.db2.gz BZLDZTKQKIDZRA-UHFFFAOYSA-N 1 0 369.893 3.553 50 0 FHAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000013321641 571270740 /nfs/dbraw/zinc/27/07/40/571270740.db2.gz UZVBEJDDZFPMRN-UHFFFAOYSA-N 1 0 374.488 3.855 50 0 FHAARO COCCN(C)c1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CC2)cn1 ZINC000252507879 571281458 /nfs/dbraw/zinc/28/14/58/571281458.db2.gz WVUBTHGCCGZKFT-UHFFFAOYSA-N 1 0 359.901 3.639 50 0 FHAARO Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000252509331 571281521 /nfs/dbraw/zinc/28/15/21/571281521.db2.gz YLGUETKSLDPZMH-QGZVFWFLSA-N 1 0 369.513 3.654 50 0 FHAARO Cc1ccc(NC(=O)CN(C[C@H]2CCCO2)[C@H]2CCSC2)cc1Cl ZINC000252511413 571281527 /nfs/dbraw/zinc/28/15/27/571281527.db2.gz GMJQWQIMAUGLRE-JKSUJKDBSA-N 1 0 368.930 3.573 50 0 FHAARO CN1N=C2/C(=C/c3ccc(F)cc3)C[N@@H+](C)C[C@H]2[C@H]1c1ccc(F)cc1 ZINC000252609267 571285075 /nfs/dbraw/zinc/28/50/75/571285075.db2.gz HQRADAGJSNDTOS-AXIJBTFKSA-N 1 0 353.416 3.953 50 0 FHAARO CN1N=C2/C(=C\c3ccc(F)cc3)C[N@@H+](C)C[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000252609265 571285096 /nfs/dbraw/zinc/28/50/96/571285096.db2.gz HQRADAGJSNDTOS-ABWDTYCQSA-N 1 0 353.416 3.953 50 0 FHAARO COc1ccc2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]c2c1 ZINC000253396319 571312027 /nfs/dbraw/zinc/31/20/27/571312027.db2.gz AZNKVQACDTUBTC-OXJNMPFZSA-N 1 0 355.482 3.513 50 0 FHAARO CCN(Cc1ccc2[nH]ccc2c1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000253398500 571312035 /nfs/dbraw/zinc/31/20/35/571312035.db2.gz WFPBLVGLRREWBC-UHFFFAOYSA-N 1 0 356.514 3.962 50 0 FHAARO CSCC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)n1cccc1 ZINC000253413503 571312398 /nfs/dbraw/zinc/31/23/98/571312398.db2.gz UYJSQYYIKGZWCA-IPMKNSEASA-N 1 0 363.571 3.505 50 0 FHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H](c1ccccc1)n1cccc1 ZINC000253413087 571312435 /nfs/dbraw/zinc/31/24/35/571312435.db2.gz SZRIPZAVWBTLLS-BHDDXSALSA-N 1 0 365.521 3.800 50 0 FHAARO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc2cccc(F)c2)C12CCCC2 ZINC000253430003 571313390 /nfs/dbraw/zinc/31/33/90/571313390.db2.gz PKEVQKRUZNAJLH-KFKAGJAMSA-N 1 0 362.489 3.500 50 0 FHAARO CCCCN(Cc1ccncc1)C(=O)N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000584888708 571314204 /nfs/dbraw/zinc/31/42/04/571314204.db2.gz CPRSFUZFBGUUJX-LJQANCHMSA-N 1 0 358.530 3.800 50 0 FHAARO CCN(CCCCO)C(=O)c1cccc(-c2ccc3[nH+]ccc(N)c3c2)c1 ZINC000584890459 571314549 /nfs/dbraw/zinc/31/45/49/571314549.db2.gz OHFCXGXANGMYMH-UHFFFAOYSA-N 1 0 363.461 3.719 50 0 FHAARO CN(Cc1cccc2cnccc21)C(=O)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000584899349 571315919 /nfs/dbraw/zinc/31/59/19/571315919.db2.gz GWXMQXVMUQZQET-QGZVFWFLSA-N 1 0 366.509 3.641 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000027582792 571318111 /nfs/dbraw/zinc/31/81/11/571318111.db2.gz NJZRKWPVVMMHDK-MRXNPFEDSA-N 1 0 365.304 3.825 50 0 FHAARO CCC(C)(C)[NH+]1CCN(C(=O)Nc2cnn(CC(C)C)c2C(F)F)CC1 ZINC000585090849 571320305 /nfs/dbraw/zinc/32/03/05/571320305.db2.gz QTQWRJIXDMIEMQ-UHFFFAOYSA-N 1 0 371.476 3.815 50 0 FHAARO Cc1cn2c(C[NH2+]C3CCN(Cc4ccccc4)CC3)c(C)nc2s1 ZINC000078778111 571326193 /nfs/dbraw/zinc/32/61/93/571326193.db2.gz GIAWCHHYMBYSCN-UHFFFAOYSA-N 1 0 354.523 3.767 50 0 FHAARO Cc1cnn(-c2ccccc2)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000094993189 571328608 /nfs/dbraw/zinc/32/86/08/571328608.db2.gz MNEXHVPZYRWWOY-UHFFFAOYSA-N 1 0 374.488 3.575 50 0 FHAARO Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Br ZINC000095406046 571329288 /nfs/dbraw/zinc/32/92/88/571329288.db2.gz KNIOVEVCQOEOIV-AWEZNQCLSA-N 1 0 366.303 3.707 50 0 FHAARO COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2CO)ccc1OCC(F)(F)F ZINC000095410524 571329411 /nfs/dbraw/zinc/32/94/11/571329411.db2.gz HAACALIOSSHJNM-HUUCEWRRSA-N 1 0 361.404 3.667 50 0 FHAARO C[NH+](C)Cc1ccc(CNC(=O)c2cccn2Cc2ccccc2)cc1F ZINC000095447566 571329779 /nfs/dbraw/zinc/32/97/79/571329779.db2.gz QBFFUOIQNIOXJB-UHFFFAOYSA-N 1 0 365.452 3.667 50 0 FHAARO c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H]3c3cccc4c3OCCO4)c2)c1 ZINC000095455415 571330053 /nfs/dbraw/zinc/33/00/53/571330053.db2.gz PCXXQYORDNEAJO-HXUWFJFHSA-N 1 0 361.445 3.981 50 0 FHAARO CCOC(=O)CCCC[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000095960786 571333067 /nfs/dbraw/zinc/33/30/67/571333067.db2.gz MYQPCDPUMXNUFN-UHFFFAOYSA-N 1 0 356.466 3.999 50 0 FHAARO COCC[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1Cn1cccn1 ZINC000095967196 571333202 /nfs/dbraw/zinc/33/32/02/571333202.db2.gz VFKLVTWJBZYCCR-JOCHJYFZSA-N 1 0 367.468 3.808 50 0 FHAARO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000095976492 571333317 /nfs/dbraw/zinc/33/33/17/571333317.db2.gz CGGFREDLBDXSKV-NSODJVPESA-N 1 0 374.706 3.873 50 0 FHAARO Cc1[nH+]c(/C=C2\N=C(c3ccc(OC(C)C)cc3)OC2=O)c2ccccn12 ZINC000096310822 571335206 /nfs/dbraw/zinc/33/52/06/571335206.db2.gz IIAYJEVVIHEKTQ-PDGQHHTCSA-N 1 0 361.401 3.774 50 0 FHAARO COc1ccccc1CN1CCc2nc(Nc3ccc(F)cc3)ncc2C1 ZINC000021639759 571335279 /nfs/dbraw/zinc/33/52/79/571335279.db2.gz YDQMDARYPRDJRE-UHFFFAOYSA-N 1 0 364.424 3.926 50 0 FHAARO Cn1c(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc2c1cccc2Cl ZINC000504401804 571347270 /nfs/dbraw/zinc/34/72/70/571347270.db2.gz VYEVFIWPVHADNM-RHSMWYFYSA-N 1 0 359.901 3.826 50 0 FHAARO COc1ccc(-n2nc(C)nc2[C@@H]2CCC[N@H+](Cc3ccco3)C2)cc1 ZINC000670449721 571352335 /nfs/dbraw/zinc/35/23/35/571352335.db2.gz JVSUURIVCASTLI-MRXNPFEDSA-N 1 0 352.438 3.557 50 0 FHAARO COc1ccc(Cl)cc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000032369152 571357238 /nfs/dbraw/zinc/35/72/38/571357238.db2.gz GAHZYTJGVVBCOI-UHFFFAOYSA-N 1 0 372.896 3.915 50 0 FHAARO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(C(=O)NCc2ccc3nonc3c2)s1 ZINC000023158681 937083206 /nfs/dbraw/zinc/08/32/06/937083206.db2.gz UCCNBZDGFNEYEO-MRXNPFEDSA-N 1 0 370.478 3.760 50 0 FHAARO Cc1cccnc1C[NH2+]C1CCN(c2cccc(-c3ccnc(C)n3)c2)CC1 ZINC000023214360 937155839 /nfs/dbraw/zinc/15/58/39/937155839.db2.gz ONKZNPDQXZQWFA-UHFFFAOYSA-N 1 0 373.504 3.914 50 0 FHAARO COc1cc2c3c(c1)C(C[NH+]1[C@@H](C)CCC[C@@H]1C)=CC(C)(C)N3C(=O)C2=O ZINC000334160998 931635119 /nfs/dbraw/zinc/63/51/19/931635119.db2.gz QNFSDGPQNCDUBR-KBPBESRZSA-N 1 0 368.477 3.663 50 0 FHAARO CCCC[C@@H]1C[N@H+](CCC(=O)NCc2ccncc2)Cc2ccccc2O1 ZINC000299768570 945124780 /nfs/dbraw/zinc/12/47/80/945124780.db2.gz OJSWTMBMWOFPPZ-HXUWFJFHSA-N 1 0 367.493 3.541 50 0 FHAARO C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000194438854 935882758 /nfs/dbraw/zinc/88/27/58/935882758.db2.gz MUYPTMIKOYCBMU-KRWDZBQOSA-N 1 0 370.472 3.535 50 0 FHAARO Cc1c(-c2cc(C[N@H+](C)[C@H]3CCCC[C@H]3C(F)(F)F)on2)cnn1C ZINC000291912410 936005836 /nfs/dbraw/zinc/00/58/36/936005836.db2.gz RVCOMTDMSBIRDD-ZBFHGGJFSA-N 1 0 356.392 3.936 50 0 FHAARO C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(C)(C)C(F)F ZINC000657855553 938824540 /nfs/dbraw/zinc/82/45/40/938824540.db2.gz GQQGNEQSUUBBPW-RBSFLKMASA-N 1 0 368.468 3.705 50 0 FHAARO COc1ccc(CC[C@H](C)[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000023283499 940008943 /nfs/dbraw/zinc/00/89/43/940008943.db2.gz IWEFJBKOJYBYQL-SFHVURJKSA-N 1 0 354.494 3.847 50 0 FHAARO O=C(NCCc1csc2ccccc12)N1CCC[C@H]1Cn1ccnc1 ZINC000177422740 940188848 /nfs/dbraw/zinc/18/88/48/940188848.db2.gz CHDTXVURZNGMHC-INIZCTEOSA-N 1 0 354.479 3.515 50 0 FHAARO c1csc(CC[NH2+]C2CCN(c3cccc(-c4cnco4)c3)CC2)n1 ZINC000023339280 940235742 /nfs/dbraw/zinc/23/57/42/940235742.db2.gz RQACZTUKCXCMGS-UHFFFAOYSA-N 1 0 354.479 3.599 50 0 FHAARO O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CCC(Cc2ccncc2)CC1 ZINC000023340449 940237435 /nfs/dbraw/zinc/23/74/35/940237435.db2.gz ICZQBRWDKBLPPZ-KRWDZBQOSA-N 1 0 355.507 3.663 50 0 FHAARO CC1(C)[C@@H](c2ccccc2)CCN1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000333340567 945314258 /nfs/dbraw/zinc/31/42/58/945314258.db2.gz XYXXRSABAJERKF-PKOBYXMFSA-N 1 0 364.493 3.698 50 0 FHAARO CCn1cncc1C[NH2+]C1CCN(c2ccc(-c3cscn3)cc2)CC1 ZINC000023505072 940489321 /nfs/dbraw/zinc/48/93/21/940489321.db2.gz VZPQYOWJMMVNPY-UHFFFAOYSA-N 1 0 367.522 3.785 50 0 FHAARO O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCC(c2cccc(O)c2)CC1 ZINC000023543221 940638410 /nfs/dbraw/zinc/63/84/10/940638410.db2.gz FVEUAGRLFAFYRB-QGZVFWFLSA-N 1 0 356.491 3.898 50 0 FHAARO COCc1cc(=O)[nH]c(-c2ccc(C[N@@H+]3CC[C@@H]3c3ccccc3)cc2)n1 ZINC000023619140 940964542 /nfs/dbraw/zinc/96/45/42/940964542.db2.gz HNAVXNIAYXKMQU-HXUWFJFHSA-N 1 0 361.445 3.530 50 0 FHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C\c1c(F)cccc1F ZINC000098007611 941324892 /nfs/dbraw/zinc/32/48/92/941324892.db2.gz FMHJPHLTOQWKKV-CLFYSBASSA-N 1 0 371.431 3.677 50 0 FHAARO Fc1ccccc1Oc1ncccc1C[NH2+]Cc1ccc2nonc2c1 ZINC000019641467 941835057 /nfs/dbraw/zinc/83/50/57/941835057.db2.gz JLKUFXQUAMXLPB-UHFFFAOYSA-N 1 0 350.353 3.839 50 0 FHAARO Cc1nc(C(C)C)sc1-c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000020208540 941878178 /nfs/dbraw/zinc/87/81/78/941878178.db2.gz QMJFHPRBSHODCC-UHFFFAOYSA-N 1 0 355.467 3.641 50 0 FHAARO CC(C)c1nnc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)s1 ZINC000136415642 942280655 /nfs/dbraw/zinc/28/06/55/942280655.db2.gz PIMGVMRPGJTVLW-OAHLLOKOSA-N 1 0 364.902 3.994 50 0 FHAARO COc1cccc(C[N@@H+]2CCCCCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000257177478 942484893 /nfs/dbraw/zinc/48/48/93/942484893.db2.gz DURIUSUBRHSVDT-NRFANRHFSA-N 1 0 352.478 3.929 50 0 FHAARO CC(C)C[N@H+](Cc1cccnc1)C1CN(C(=O)Nc2ccccc2F)C1 ZINC000257187465 942610090 /nfs/dbraw/zinc/61/00/90/942610090.db2.gz LSPAWRMPFLBLOC-UHFFFAOYSA-N 1 0 356.445 3.595 50 0 FHAARO CCCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CC[NH2+]C1 ZINC000178902279 942825732 /nfs/dbraw/zinc/82/57/32/942825732.db2.gz VWNLGWYXUSQEIG-INIZCTEOSA-N 1 0 361.873 3.528 50 0 FHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1CCCc2occc21 ZINC000126378128 943198170 /nfs/dbraw/zinc/19/81/70/943198170.db2.gz VPNOCLHEYHQPSQ-DLBZAZTESA-N 1 0 357.454 3.776 50 0 FHAARO O=C(CCCc1ccccc1)N(CC[NH+]1CCCCC1)C1CCOCC1 ZINC000675022143 943639526 /nfs/dbraw/zinc/63/95/26/943639526.db2.gz KAHHHFKDAKBOPB-UHFFFAOYSA-N 1 0 358.526 3.503 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cc2ccccc2Cl)CC1 ZINC000045463491 946050559 /nfs/dbraw/zinc/05/05/59/946050559.db2.gz HMNFCEUMSMUOBC-HNNXBMFYSA-N 1 0 351.922 3.691 50 0 FHAARO COc1c(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c(C)nn1C ZINC000093387228 946489078 /nfs/dbraw/zinc/48/90/78/946489078.db2.gz WFNJKWLAMAJCHQ-KRWDZBQOSA-N 1 0 365.481 3.507 50 0 FHAARO Cc1cccc2c1ccn2CC(=O)N(C)C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000888088823 948007435 /nfs/dbraw/zinc/00/74/35/948007435.db2.gz SIGCHXXZWPQOHS-QUCCMNQESA-N 1 0 353.510 3.673 50 0 FHAARO C[NH+](C)CCNc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1 ZINC000263639933 210006712 /nfs/dbraw/zinc/00/67/12/210006712.db2.gz OZAGTBVTVCRTRZ-UHFFFAOYSA-N 1 0 350.797 3.851 50 0 FHAARO Cc1noc(C)c1C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000237619478 209351769 /nfs/dbraw/zinc/35/17/69/209351769.db2.gz BLRZFVQNKFWKGG-AWEZNQCLSA-N 1 0 364.287 3.670 50 0 FHAARO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237378185 209347479 /nfs/dbraw/zinc/34/74/79/209347479.db2.gz CAJVGDWMSGAYNC-RISCZKNCSA-N 1 0 363.914 3.971 50 0 FHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2Nc2cccc(OC)c2)C1 ZINC000237248170 209340623 /nfs/dbraw/zinc/34/06/23/209340623.db2.gz CKPDTHLXKUUDNO-INIZCTEOSA-N 1 0 353.466 3.510 50 0 FHAARO C[C@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000049581178 209336397 /nfs/dbraw/zinc/33/63/97/209336397.db2.gz MTSNIBHZAGONAZ-INIZCTEOSA-N 1 0 354.469 3.714 50 0 FHAARO Cc1nccn1CCC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000106942581 209274378 /nfs/dbraw/zinc/27/43/78/209274378.db2.gz YOZZITXHJIIVLG-JOCHJYFZSA-N 1 0 372.532 3.953 50 0 FHAARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(Oc3ccccc3)nc1)C2 ZINC000102061931 209231622 /nfs/dbraw/zinc/23/16/22/209231622.db2.gz CPIQYKHVBAWXBI-IGOJGBNBSA-N 1 0 366.465 3.678 50 0 FHAARO Cc1ccc(-n2ncc(C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)c2C(C)C)cc1 ZINC000236866869 209231378 /nfs/dbraw/zinc/23/13/78/209231378.db2.gz XVGDFLVYMFHDGI-IRXDYDNUSA-N 1 0 354.498 3.504 50 0 FHAARO Cc1cc(C)nc(NC=C2N=C(c3ccc(Br)cc3)OC2=O)c1 ZINC000100541147 209215189 /nfs/dbraw/zinc/21/51/89/209215189.db2.gz CJXVXHCHNAYNDJ-ZROIWOOFSA-N 1 0 372.222 3.718 50 0 FHAARO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC([C@@H](O)c2ccccn2)CC1 ZINC000097815002 209198890 /nfs/dbraw/zinc/19/88/90/209198890.db2.gz BNIUIPYJYSGDGZ-OAQYLSRUSA-N 1 0 353.441 3.956 50 0 FHAARO COCCN(Cc1ccc(C)s1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000097729747 209195705 /nfs/dbraw/zinc/19/57/05/209195705.db2.gz XMWUJOCVXGZRMY-IBGZPJMESA-N 1 0 372.534 3.812 50 0 FHAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2CCC[C@@H](c3ccncn3)C2)n1 ZINC000097717101 209193542 /nfs/dbraw/zinc/19/35/42/209193542.db2.gz UBVAVFMOIBXYGO-QGZVFWFLSA-N 1 0 365.456 3.798 50 0 FHAARO COc1cc(OCc2ccccc2)ccc1C[NH+]1CCC([C@H](C)O)CC1 ZINC000097475114 209182450 /nfs/dbraw/zinc/18/24/50/209182450.db2.gz OVAFLSNXGMYXAH-KRWDZBQOSA-N 1 0 355.478 3.867 50 0 FHAARO CC[C@@H](c1ccc(OC)c(OC)c1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000097102134 209171658 /nfs/dbraw/zinc/17/16/58/209171658.db2.gz BRCDZTCBXFBEBZ-IBGZPJMESA-N 1 0 374.525 3.879 50 0 FHAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C12CC(C(F)(F)F)(C1)C2 ZINC000097165148 209173636 /nfs/dbraw/zinc/17/36/36/209173636.db2.gz SCGOMVINKWPACD-IGEOTXOUSA-N 1 0 372.456 3.809 50 0 FHAARO CCCn1nc(C)c(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1C ZINC000223224854 209167822 /nfs/dbraw/zinc/16/78/22/209167822.db2.gz CPSNUYRJIGOAPE-OAQYLSRUSA-N 1 0 368.525 3.581 50 0 FHAARO COc1ccc2cc(/C=C\C(=O)NC3CC[NH+](C(C)C)CC3)ccc2c1 ZINC000096878889 209160616 /nfs/dbraw/zinc/16/06/16/209160616.db2.gz BNMJENHQQKCXMS-UITAMQMPSA-N 1 0 352.478 3.851 50 0 FHAARO O[C@H](CNCc1cccc(Cl)c1Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000096747831 209156941 /nfs/dbraw/zinc/15/69/41/209156941.db2.gz FVFGFWREHFZIBY-QGZVFWFLSA-N 1 0 365.304 3.502 50 0 FHAARO CC(=O)Nc1ccc(F)c(NC(=O)N(C)CCC[NH+]2CCCCCC2)c1 ZINC000096164519 209128895 /nfs/dbraw/zinc/12/88/95/209128895.db2.gz ZITZZZQPVGCAFW-UHFFFAOYSA-N 1 0 364.465 3.514 50 0 FHAARO COCC[N@@H+]1CCC[C@H](CN(C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000096152993 209124656 /nfs/dbraw/zinc/12/46/56/209124656.db2.gz JVPSIMBHOUXKBX-MRXNPFEDSA-N 1 0 367.921 3.779 50 0 FHAARO Cc1c(Cl)ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](CO)C2)c1Cl ZINC000096141900 209122244 /nfs/dbraw/zinc/12/22/44/209122244.db2.gz HPAVIFJXIJZHDQ-CYBMUJFWSA-N 1 0 374.312 3.518 50 0 FHAARO CC(C)c1nc(N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)no1 ZINC000096136121 209118196 /nfs/dbraw/zinc/11/81/96/209118196.db2.gz QCHPEAGZCDNMKA-GOSISDBHSA-N 1 0 354.498 3.899 50 0 FHAARO Cc1ccc(OCC[NH3+])c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c1 ZINC000299757787 206634213 /nfs/dbraw/zinc/63/42/13/206634213.db2.gz BKXJAHVNCUPBHQ-UHFFFAOYSA-N 1 0 367.276 3.912 50 0 FHAARO Cc1ncsc1CCN(C)C(=O)c1ccc(C[NH+]2CCC(C)CC2)o1 ZINC000299792612 206653506 /nfs/dbraw/zinc/65/35/06/206653506.db2.gz FOLCSPFYBYCCAM-UHFFFAOYSA-N 1 0 361.511 3.591 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Br)c1ccsc1 ZINC000009267254 206824010 /nfs/dbraw/zinc/82/40/10/206824010.db2.gz RLTWOAUSZUVMSH-AWEZNQCLSA-N 1 0 353.285 3.543 50 0 FHAARO CC(C)[C@@H]1C[C@](CC(=O)NCCC[NH+](C)C)(Cc2ccccc2)CCO1 ZINC000009486015 206842514 /nfs/dbraw/zinc/84/25/14/206842514.db2.gz KYHWDEMTSLKBIC-RBBKRZOGSA-N 1 0 360.542 3.509 50 0 FHAARO CC1CC[NH+](C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000001165870 206863859 /nfs/dbraw/zinc/86/38/59/206863859.db2.gz BIEFKYNQZOICCG-UHFFFAOYSA-N 1 0 372.534 3.725 50 0 FHAARO Cc1ccc(C(=O)c2ccc(C[NH+]3CCC4(CC3)OCCO4)cc2)c(C)c1 ZINC000002514735 206920664 /nfs/dbraw/zinc/92/06/64/206920664.db2.gz AHFLMBYHJKWLIA-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO CC[N@H+](C[C@H](O)COc1ccc(Br)cc1)C1CCCCC1 ZINC000004279531 207010845 /nfs/dbraw/zinc/01/08/45/207010845.db2.gz YCAJDXBIDNDKER-INIZCTEOSA-N 1 0 356.304 3.843 50 0 FHAARO COc1cc(C(=O)O[C@H](C)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc(OC)c1OC ZINC000004454497 207020312 /nfs/dbraw/zinc/02/03/12/207020312.db2.gz IFISOMHXZPOZTF-SOUVJXGZSA-N 1 0 365.470 3.521 50 0 FHAARO CC[C@H](CO)[NH2+]Cc1cc(Br)c(OC2CCCC2)c(OC)c1 ZINC000004657699 207036075 /nfs/dbraw/zinc/03/60/75/207036075.db2.gz BPWPQFZFHUZYKO-CYBMUJFWSA-N 1 0 372.303 3.640 50 0 FHAARO COc1ccc(N2C(=O)C[C@@H]([C@H]3CCCC=C3[NH+]3CCCCC3)C2=O)cc1 ZINC000005015875 207072580 /nfs/dbraw/zinc/07/25/80/207072580.db2.gz FCHGOTAXHIXVHB-MOPGFXCFSA-N 1 0 368.477 3.745 50 0 FHAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+][C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000005091055 207080564 /nfs/dbraw/zinc/08/05/64/207080564.db2.gz RYCUSVMSELEEDX-WOBADCFVSA-N 1 0 366.505 3.821 50 0 FHAARO Cc1ccc([C@H](CC(=O)NCCC[NH+](C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000005348415 207095853 /nfs/dbraw/zinc/09/58/53/207095853.db2.gz KFXGNULOTVUHLH-PMACEKPBSA-N 1 0 360.542 3.742 50 0 FHAARO COc1cc(Br)c(C[NH2+][C@H](C)Cc2ccco2)cc1OC ZINC000035254503 207095880 /nfs/dbraw/zinc/09/58/80/207095880.db2.gz DAUXPMSWOIGOCQ-LLVKDONJSA-N 1 0 354.244 3.780 50 0 FHAARO CC1CC[NH+](CCc2nc3cc(NC(=O)c4ccco4)ccc3n2C)CC1 ZINC000005824516 207117570 /nfs/dbraw/zinc/11/75/70/207117570.db2.gz LYFCSYTVZODRGT-UHFFFAOYSA-N 1 0 366.465 3.693 50 0 FHAARO CCc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(OC)cc3)CC2)cc1 ZINC000006399199 207139875 /nfs/dbraw/zinc/13/98/75/207139875.db2.gz DLSJTOPAYZVGHK-UHFFFAOYSA-N 1 0 366.505 3.786 50 0 FHAARO Cn1c(CC[NH+]2CCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000006804521 207167523 /nfs/dbraw/zinc/16/75/23/207167523.db2.gz HSVMRGTZIPDESP-UHFFFAOYSA-N 1 0 354.498 3.730 50 0 FHAARO C[N@H+]([C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000006809522 207168699 /nfs/dbraw/zinc/16/86/99/207168699.db2.gz UIRLWVFWJOOSFG-OAQYLSRUSA-N 1 0 372.534 3.971 50 0 FHAARO C[N@H+]([C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000006809521 207168834 /nfs/dbraw/zinc/16/88/34/207168834.db2.gz UIRLWVFWJOOSFG-NRFANRHFSA-N 1 0 372.534 3.971 50 0 FHAARO CCN(CC)c1nnc(-n2cccc2C[NH2+]Cc2ccccc2C)s1 ZINC000007002052 207182882 /nfs/dbraw/zinc/18/28/82/207182882.db2.gz IESYRUTXYURQJA-UHFFFAOYSA-N 1 0 355.511 3.773 50 0 FHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000007016396 207183614 /nfs/dbraw/zinc/18/36/14/207183614.db2.gz CDMPLPWGPGXJHD-LJQANCHMSA-N 1 0 366.461 3.714 50 0 FHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccccc2OCc2ccccc2)N1 ZINC000007126269 207188063 /nfs/dbraw/zinc/18/80/63/207188063.db2.gz JILMQZAAAWQVKS-HXUWFJFHSA-N 1 0 369.428 3.712 50 0 FHAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH2+]C2CCCCC2)C(=O)CCC1 ZINC000007572532 207199465 /nfs/dbraw/zinc/19/94/65/207199465.db2.gz CVPHOXGBNXUIMJ-KRWDZBQOSA-N 1 0 354.494 3.752 50 0 FHAARO COc1ccc(OC)c([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000007717373 207203878 /nfs/dbraw/zinc/20/38/78/207203878.db2.gz ALPMVARFXLZYFH-OXJNMPFZSA-N 1 0 368.477 3.718 50 0 FHAARO CCC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000008328164 207230268 /nfs/dbraw/zinc/23/02/68/207230268.db2.gz JCBYCIOFXHPMEI-QFBILLFUSA-N 1 0 371.502 3.846 50 0 FHAARO COc1ccccc1[C@@H](CNc1ncnc2sccc21)[NH+]1CCCC1 ZINC000008338785 207229450 /nfs/dbraw/zinc/22/94/50/207229450.db2.gz HCQSBKCUSLXONK-MRXNPFEDSA-N 1 0 354.479 3.949 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc2ncsc2c1 ZINC000008342641 207229792 /nfs/dbraw/zinc/22/97/92/207229792.db2.gz KADFBOLHRWAJEN-UHFFFAOYSA-N 1 0 351.475 3.822 50 0 FHAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@H](C)O ZINC000008328260 207229866 /nfs/dbraw/zinc/22/98/66/207229866.db2.gz VZHOVFPWFVJADZ-AWEZNQCLSA-N 1 0 355.413 3.583 50 0 FHAARO CCC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 ZINC000008345179 207231601 /nfs/dbraw/zinc/23/16/01/207231601.db2.gz QRUXYOQVEYNVPQ-LJQANCHMSA-N 1 0 365.477 3.648 50 0 FHAARO COc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1ccc(F)cc1Cl ZINC000008535079 207236381 /nfs/dbraw/zinc/23/63/81/207236381.db2.gz VCYPPKGRVIXHRV-GFCCVEGCSA-N 1 0 353.821 3.537 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000008611047 207238969 /nfs/dbraw/zinc/23/89/69/207238969.db2.gz KGSWMAXXPDCKJC-UHFFFAOYSA-N 1 0 365.477 3.685 50 0 FHAARO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009062529 207256292 /nfs/dbraw/zinc/25/62/92/207256292.db2.gz MNWOAYKRVMGBLB-UHFFFAOYSA-N 1 0 366.505 3.656 50 0 FHAARO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+]C(C)(C)C)cc2)cc1 ZINC000009390225 207270171 /nfs/dbraw/zinc/27/01/71/207270171.db2.gz WIOJAPKZIYFBFI-UHFFFAOYSA-N 1 0 369.465 3.664 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1ccccc1 ZINC000036396124 207280897 /nfs/dbraw/zinc/28/08/97/207280897.db2.gz ZXFWJYSPCGSPAR-GOSISDBHSA-N 1 0 352.478 3.756 50 0 FHAARO CC(C)(CO)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010473853 207302392 /nfs/dbraw/zinc/30/23/92/207302392.db2.gz IRABCOCPCMAHOC-UHFFFAOYSA-N 1 0 364.283 3.889 50 0 FHAARO COC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000011753828 207320645 /nfs/dbraw/zinc/32/06/45/207320645.db2.gz SHKRXCXGNHKOBY-LBPRGKRZSA-N 1 0 355.360 3.614 50 0 FHAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1cccc(F)c1 ZINC000011711451 207320709 /nfs/dbraw/zinc/32/07/09/207320709.db2.gz OKDNUXIEHNYDDL-QGZVFWFLSA-N 1 0 372.459 3.992 50 0 FHAARO C/C=C(\C)C[NH+]1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000011773291 207322400 /nfs/dbraw/zinc/32/24/00/207322400.db2.gz MJAKFWYQRSIQAG-HQYXKAPLSA-N 1 0 358.482 3.855 50 0 FHAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](CCCn3cccn3)C2)c1 ZINC000011944241 207330443 /nfs/dbraw/zinc/33/04/43/207330443.db2.gz VUQIAXSGNXMZGI-LJQANCHMSA-N 1 0 355.482 3.655 50 0 FHAARO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2ccncc2)C1 ZINC000011937869 207331009 /nfs/dbraw/zinc/33/10/09/207331009.db2.gz NFHHEGCGUICLTA-OAQYLSRUSA-N 1 0 374.431 3.748 50 0 FHAARO O=C(c1ccoc1)N1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000011946202 207331121 /nfs/dbraw/zinc/33/11/21/207331121.db2.gz IRWPDCXZIVEWCL-HXUWFJFHSA-N 1 0 352.478 3.696 50 0 FHAARO c1ccc(COc2cccc(C[NH2+][C@@H]3CCCN(c4ncccn4)C3)c2)cc1 ZINC000011952547 207332104 /nfs/dbraw/zinc/33/21/04/207332104.db2.gz MBKIVFUFJAGWHL-OAQYLSRUSA-N 1 0 374.488 3.814 50 0 FHAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)C(C)C)CC1 ZINC000011999253 207333160 /nfs/dbraw/zinc/33/31/60/207333160.db2.gz JLMDSGVTYFRGLV-QFIPXVFZSA-N 1 0 372.553 3.871 50 0 FHAARO COc1cccc([C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C(=O)[C@]34CCC[N@H+]24)c1 ZINC000012020062 207334293 /nfs/dbraw/zinc/33/42/93/207334293.db2.gz MTECXTNRBPFAHX-XJABCFGWSA-N 1 0 366.461 3.535 50 0 FHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)C4=CCCC4)C3)C2)c1 ZINC000011842638 207325166 /nfs/dbraw/zinc/32/51/66/207325166.db2.gz IKLLPFNMCILDAI-QFIPXVFZSA-N 1 0 372.484 3.759 50 0 FHAARO C[C@@H](O)C[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000011842418 207325768 /nfs/dbraw/zinc/32/57/68/207325768.db2.gz RTVYLALDENDMHX-CYBMUJFWSA-N 1 0 359.832 3.802 50 0 FHAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)cc1 ZINC000011842901 207325886 /nfs/dbraw/zinc/32/58/86/207325886.db2.gz CXVRGFLPFQCOMU-SRSGJAESSA-N 1 0 370.518 3.912 50 0 FHAARO COc1cc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@H+]24)ccc1F ZINC000011843789 207326341 /nfs/dbraw/zinc/32/63/41/207326341.db2.gz PQYQUJLZZDNQIO-XERREHJYSA-N 1 0 358.457 3.515 50 0 FHAARO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000011844069 207326427 /nfs/dbraw/zinc/32/64/27/207326427.db2.gz MEXRLKSFZPBPBO-UHFFFAOYSA-N 1 0 358.482 3.590 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2scnc2c1 ZINC000011865747 207326555 /nfs/dbraw/zinc/32/65/55/207326555.db2.gz NEQDTZJVYQPGOX-UHFFFAOYSA-N 1 0 351.475 3.691 50 0 FHAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cccc(F)c2F)c1 ZINC000011880243 207327885 /nfs/dbraw/zinc/32/78/85/207327885.db2.gz CMBAAYDRXFYFIG-KRWDZBQOSA-N 1 0 374.431 3.644 50 0 FHAARO CSCCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000012148802 207343878 /nfs/dbraw/zinc/34/38/78/207343878.db2.gz BGFPFLBAPNYXJB-MRXNPFEDSA-N 1 0 374.472 3.929 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCO)c(C)o2)c(OC)c1C ZINC000012298270 207356621 /nfs/dbraw/zinc/35/66/21/207356621.db2.gz BCGWMMDBAIJEJK-MRXNPFEDSA-N 1 0 374.481 3.713 50 0 FHAARO CN(C)c1cccc(C(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c1 ZINC000012318529 207362017 /nfs/dbraw/zinc/36/20/17/207362017.db2.gz XUKALMZJALZDRJ-OAQYLSRUSA-N 1 0 365.521 3.580 50 0 FHAARO Clc1cccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c1 ZINC000012330244 207364262 /nfs/dbraw/zinc/36/42/62/207364262.db2.gz KOZGTXMSYOHTLL-UHFFFAOYSA-N 1 0 366.896 3.775 50 0 FHAARO C[C@@H]1C[N@H+](C2CCN(Cc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000012363246 207366499 /nfs/dbraw/zinc/36/64/99/207366499.db2.gz DYJBIBUZEQQEMP-GASCZTMLSA-N 1 0 367.331 3.523 50 0 FHAARO O[C@H](C[NH2+]Cc1ccco1)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000012421971 207374682 /nfs/dbraw/zinc/37/46/82/207374682.db2.gz SHZKHCIVXHVTMO-CQSZACIVSA-N 1 0 358.869 3.917 50 0 FHAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3[NH2+]C2CCOCC2)cc1 ZINC000012438297 207376484 /nfs/dbraw/zinc/37/64/84/207376484.db2.gz UXLKBBNXAPMPKF-IBGZPJMESA-N 1 0 355.482 3.663 50 0 FHAARO O=C1N(Cc2ccccc2F)CCC[C@]12CC[N@H+](CCc1ccccc1)C2 ZINC000012459296 207379977 /nfs/dbraw/zinc/37/99/77/207379977.db2.gz GSDRAPYQHCTHMA-HSZRJFAPSA-N 1 0 366.480 3.883 50 0 FHAARO CC[NH+]1CCC(C(=O)N2CCC[C@H](CCc3cccc(OC)c3)C2)CC1 ZINC000012458867 207379992 /nfs/dbraw/zinc/37/99/92/207379992.db2.gz ANFZOUHFVAJIKR-LJQANCHMSA-N 1 0 358.526 3.598 50 0 FHAARO O=C(CSc1ccccc1)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012459474 207380582 /nfs/dbraw/zinc/38/05/82/207380582.db2.gz DDUCSKWSQXGBAC-IBGZPJMESA-N 1 0 366.530 3.527 50 0 FHAARO Cc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@H+]24)o1 ZINC000012456466 207381442 /nfs/dbraw/zinc/38/14/42/207381442.db2.gz HFIUYFJAYOKTOG-IPJJNNNSSA-N 1 0 350.462 3.834 50 0 FHAARO COCc1ccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)o1 ZINC000012456024 207381510 /nfs/dbraw/zinc/38/15/10/207381510.db2.gz CXNFKAWNCHDLCJ-SFHVURJKSA-N 1 0 374.500 3.952 50 0 FHAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000012458800 207381650 /nfs/dbraw/zinc/38/16/50/207381650.db2.gz IAKBMWLTDZBUMW-SFHVURJKSA-N 1 0 355.413 3.537 50 0 FHAARO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3=O)o1 ZINC000012472757 207383602 /nfs/dbraw/zinc/38/36/02/207383602.db2.gz KASJYQWPBAKUGU-OAQYLSRUSA-N 1 0 356.441 3.742 50 0 FHAARO C[C@H](OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000012550701 207391348 /nfs/dbraw/zinc/39/13/48/207391348.db2.gz XVFLPTFHXKTVFW-UWJYYQICSA-N 1 0 374.912 3.601 50 0 FHAARO O=C(CSc1ccccc1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012577531 207396209 /nfs/dbraw/zinc/39/62/09/207396209.db2.gz YBZQIVNKLSNIGL-IBGZPJMESA-N 1 0 354.519 3.602 50 0 FHAARO COc1cc(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)ccc1F ZINC000012613270 207402174 /nfs/dbraw/zinc/40/21/74/207402174.db2.gz FELWPWFXYRDXAE-CYBMUJFWSA-N 1 0 352.413 3.846 50 0 FHAARO Cc1cccc(-n2ncc(C(=O)Nc3ccccc3)c2C2CC[NH2+]CC2)c1 ZINC000015726927 207562738 /nfs/dbraw/zinc/56/27/38/207562738.db2.gz MSPKPTFJZBJSGV-UHFFFAOYSA-N 1 0 360.461 3.900 50 0 FHAARO O=C(CCC1CC[NH+](CCCC2CCCC2)CC1)NC[C@H]1CCCO1 ZINC000012001647 207750689 /nfs/dbraw/zinc/75/06/89/207750689.db2.gz HCPZEBDSJZQLFL-HXUWFJFHSA-N 1 0 350.547 3.744 50 0 FHAARO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccccc1F ZINC000022075782 207795463 /nfs/dbraw/zinc/79/54/63/207795463.db2.gz ZWDRXDGHRNCWAF-UHFFFAOYSA-N 1 0 366.864 3.718 50 0 FHAARO COc1ccc([C@@H](CNC(=O)[C@@]2(C)CC2(Cl)Cl)[NH+]2CCCC2)cc1 ZINC000022620320 207813996 /nfs/dbraw/zinc/81/39/96/207813996.db2.gz RIQJABGNJDSESL-NVXWUHKLSA-N 1 0 371.308 3.532 50 0 FHAARO COc1ccccc1CN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024835853 207878122 /nfs/dbraw/zinc/87/81/22/207878122.db2.gz ZUYGNUPOZXJUEG-UHFFFAOYSA-N 1 0 367.493 3.633 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000027676432 207939016 /nfs/dbraw/zinc/93/90/16/207939016.db2.gz GCBMNDRQMXXNKU-ZDUSSCGKSA-N 1 0 358.385 3.679 50 0 FHAARO Cc1nc2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2nc1C ZINC000032841492 208048250 /nfs/dbraw/zinc/04/82/50/208048250.db2.gz WXOCLWHTZULALA-QFIPXVFZSA-N 1 0 374.488 3.814 50 0 FHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1C(F)(F)F ZINC000032400990 208027913 /nfs/dbraw/zinc/02/79/13/208027913.db2.gz AZXMPFBFQJNINX-UHFFFAOYSA-N 1 0 362.395 3.884 50 0 FHAARO O=C(CCc1nc2ccccc2o1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032518755 208030331 /nfs/dbraw/zinc/03/03/31/208030331.db2.gz AUQWNJICESOYLO-UHFFFAOYSA-N 1 0 363.461 3.541 50 0 FHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2cccs2)on1 ZINC000032622376 208033740 /nfs/dbraw/zinc/03/37/40/208033740.db2.gz WTJVUOIZLBWTBX-KRWDZBQOSA-N 1 0 367.474 3.970 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(F)cc1 ZINC000032623323 208034048 /nfs/dbraw/zinc/03/40/48/208034048.db2.gz BYINGYPSQUCKEC-OAHLLOKOSA-N 1 0 359.426 3.575 50 0 FHAARO O=C(COc1ccc2oc3ccccc3c2c1)NCCC[NH+]1CCCCC1 ZINC000032744702 208038727 /nfs/dbraw/zinc/03/87/27/208038727.db2.gz NCDBFUGQEQCLGC-UHFFFAOYSA-N 1 0 366.461 3.957 50 0 FHAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc2ccccn2c1 ZINC000033138748 208074693 /nfs/dbraw/zinc/07/46/93/208074693.db2.gz ITLGZMBEXXEMKF-UHFFFAOYSA-N 1 0 361.489 3.624 50 0 FHAARO Cn1cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c2cc(Cl)ccc21 ZINC000035527060 208128348 /nfs/dbraw/zinc/12/83/48/208128348.db2.gz RDHDIOBPPJSBIQ-UHFFFAOYSA-N 1 0 359.901 3.666 50 0 FHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3cc(F)ccc3F)c2)C1 ZINC000034670354 208104661 /nfs/dbraw/zinc/10/46/61/208104661.db2.gz AEIIRCWOGLCXQR-HNNXBMFYSA-N 1 0 360.404 3.802 50 0 FHAARO COc1cc(C[N@H+](C[C@@H](O)COc2ccccc2C)C(C)C)cc(OC)c1 ZINC000036095072 208142723 /nfs/dbraw/zinc/14/27/23/208142723.db2.gz ABXJKTVDEMNCSZ-LJQANCHMSA-N 1 0 373.493 3.663 50 0 FHAARO COc1ccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095172 208143080 /nfs/dbraw/zinc/14/30/80/208143080.db2.gz BQEYTAHRBIMTCQ-IBGZPJMESA-N 1 0 373.493 3.602 50 0 FHAARO COc1cc(C[N@H+](CCC(C)C)C[C@H](O)COC(C)(C)C)cc(OC)c1 ZINC000036095152 208144657 /nfs/dbraw/zinc/14/46/57/208144657.db2.gz NAPLIUOWMBXBJJ-SFHVURJKSA-N 1 0 367.530 3.728 50 0 FHAARO CC(C)COC[C@H](O)C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036099520 208145855 /nfs/dbraw/zinc/14/58/55/208145855.db2.gz PQUJECWXDPBLAT-LJQANCHMSA-N 1 0 351.487 3.923 50 0 FHAARO O[C@H](COCc1ccco1)C[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103319 208146869 /nfs/dbraw/zinc/14/68/69/208146869.db2.gz MILIEGVPDUHRFP-SFHVURJKSA-N 1 0 357.475 3.921 50 0 FHAARO COc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COC(C)(C)C)cc1OC ZINC000036096150 208147085 /nfs/dbraw/zinc/14/70/85/208147085.db2.gz HPXIYPAYFUAIOU-SFHVURJKSA-N 1 0 367.530 3.728 50 0 FHAARO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1CCCCC1 ZINC000040071803 208220655 /nfs/dbraw/zinc/22/06/55/208220655.db2.gz GXMWIDMFQXOGOL-HUUCEWRRSA-N 1 0 357.498 3.523 50 0 FHAARO CC[NH+](CC)CCn1cc(Nc2ncnc3sc4c(c32)CCCC4)cn1 ZINC000040155579 208238162 /nfs/dbraw/zinc/23/81/62/208238162.db2.gz IFVAAMATYKEWKE-UHFFFAOYSA-N 1 0 370.526 3.852 50 0 FHAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000040157632 208240141 /nfs/dbraw/zinc/24/01/41/208240141.db2.gz HBOWMRUGUMLAJO-LJQANCHMSA-N 1 0 356.441 3.619 50 0 FHAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OC(C)C)c(Br)c1 ZINC000040719694 208263480 /nfs/dbraw/zinc/26/34/80/208263480.db2.gz AHBHUUCHYVQFBR-OAHLLOKOSA-N 1 0 355.320 3.810 50 0 FHAARO COc1cccc(C[NH2+]CC(C)C)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734636 208266864 /nfs/dbraw/zinc/26/68/64/208266864.db2.gz KFPSVMYKBRLFBY-UHFFFAOYSA-N 1 0 356.466 3.767 50 0 FHAARO Cc1ccc(C[NH+]2CCC(C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000044909261 208321243 /nfs/dbraw/zinc/32/12/43/208321243.db2.gz MVIZXNMMUVDSGD-UHFFFAOYSA-N 1 0 350.506 3.956 50 0 FHAARO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047301971 208375567 /nfs/dbraw/zinc/37/55/67/208375567.db2.gz JMEIUVREUCICBB-UHFFFAOYSA-N 1 0 356.897 3.911 50 0 FHAARO O=C(N[C@H]1CCOc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303270 208375891 /nfs/dbraw/zinc/37/58/91/208375891.db2.gz DMAJIZSYNYWJSE-FQEVSTJZSA-N 1 0 350.462 3.539 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc2c(cccc2F)s1 ZINC000048353645 208402196 /nfs/dbraw/zinc/40/21/96/208402196.db2.gz JJOSZVYLSZRCFS-UHFFFAOYSA-N 1 0 369.465 3.830 50 0 FHAARO COc1ccc([C@@H](CNC(=[NH2+])NCc2ccccc2)N2CCCCC2)cc1 ZINC000058112146 208555709 /nfs/dbraw/zinc/55/57/09/208555709.db2.gz LHEWNSAQXJQRPO-OAQYLSRUSA-N 1 0 366.509 3.536 50 0 FHAARO C[C@H](CC1(C)CC1)[NH+]1CCC(n2cc(CN3CCCCCC3)nn2)CC1 ZINC000063883514 208610608 /nfs/dbraw/zinc/61/06/08/208610608.db2.gz LXALMUNPVKTYML-GOSISDBHSA-N 1 0 359.562 3.870 50 0 FHAARO Cc1c(-c2n[nH]c3c2C[N@H+](C[C@H]2CCOC2)CC3)cccc1C(F)(F)F ZINC000020858706 220342635 /nfs/dbraw/zinc/34/26/35/220342635.db2.gz XQFGTEVTAVKQDV-CYBMUJFWSA-N 1 0 365.399 3.799 50 0 FHAARO COc1ccc(NC(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)cn1 ZINC000071280484 208759133 /nfs/dbraw/zinc/75/91/33/208759133.db2.gz LQOKDHYYQLREFC-UHFFFAOYSA-N 1 0 373.456 3.750 50 0 FHAARO O=c1cc(CN2CCC[N@@H+](C3CCCCC3)CC2)[nH]c2c(F)cccc12 ZINC000091876793 209002610 /nfs/dbraw/zinc/00/26/10/209002610.db2.gz FPKQPLGALHSCID-UHFFFAOYSA-N 1 0 357.473 3.920 50 0 FHAARO COCCC[NH+]1CCC(Nc2cnc3cc(Cl)c(Cl)cc3n2)CC1 ZINC000096007355 209095396 /nfs/dbraw/zinc/09/53/96/209095396.db2.gz JUYPFBZGFICCRT-UHFFFAOYSA-N 1 0 369.296 3.849 50 0 FHAARO CCc1noc(C2CCC([NH2+]Cc3nccn3Cc3ccccc3)CC2)n1 ZINC000095996342 209094615 /nfs/dbraw/zinc/09/46/15/209094615.db2.gz NAAPJJCWGWDWEN-UHFFFAOYSA-N 1 0 365.481 3.693 50 0 FHAARO COC(=O)CCCN1CCC([NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000095986443 209094146 /nfs/dbraw/zinc/09/41/46/209094146.db2.gz NKLNROKCUHYQHU-UNMCSNQZSA-N 1 0 372.553 3.795 50 0 FHAARO OCc1ccc(C[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000091966137 209006808 /nfs/dbraw/zinc/00/68/08/209006808.db2.gz YDDZBARJRLBLRK-SFHVURJKSA-N 1 0 365.452 3.773 50 0 FHAARO Fc1ccc(C[N@@H+]2CCCN(c3ccc(Br)cn3)CC2)cc1 ZINC000095960772 209091698 /nfs/dbraw/zinc/09/16/98/209091698.db2.gz HSCKMBKKQKLIAD-UHFFFAOYSA-N 1 0 364.262 3.696 50 0 FHAARO c1[nH]nc(-c2ccccc2)c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000092004350 209011485 /nfs/dbraw/zinc/01/14/85/209011485.db2.gz GNTBITSSYFEIBE-SIKLNZKXSA-N 1 0 373.504 3.568 50 0 FHAARO COCC[N@H+](Cc1cc(=O)c2cccc(F)c2[nH]1)Cc1ccccc1C ZINC000092096465 209016620 /nfs/dbraw/zinc/01/66/20/209016620.db2.gz KZHNPGODIYWECT-UHFFFAOYSA-N 1 0 354.425 3.624 50 0 FHAARO O=C(c1ccnc2ccccc21)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000092097171 209017044 /nfs/dbraw/zinc/01/70/44/209017044.db2.gz JMJDGQGXOFZVOE-VQTJNVASSA-N 1 0 371.484 3.971 50 0 FHAARO O=c1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)[nH]c2c(F)cccc12 ZINC000092081154 209017091 /nfs/dbraw/zinc/01/70/91/209017091.db2.gz ZLYYFBNWTQNOQS-HNNXBMFYSA-N 1 0 351.425 3.696 50 0 FHAARO CCOC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CCCC2 ZINC000095351424 209022956 /nfs/dbraw/zinc/02/29/56/209022956.db2.gz ABGRNVMBHOBVQT-UHFFFAOYSA-N 1 0 372.490 3.532 50 0 FHAARO Cc1nc2ncccc2c(N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000095354887 209024232 /nfs/dbraw/zinc/02/42/32/209024232.db2.gz CTJJLICSMYVKOH-INIZCTEOSA-N 1 0 351.429 3.549 50 0 FHAARO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1 ZINC000095354934 209025072 /nfs/dbraw/zinc/02/50/72/209025072.db2.gz FMXNSTQGIKJQJZ-IBGZPJMESA-N 1 0 354.498 3.737 50 0 FHAARO Cc1nc2ccccn2c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095361098 209027179 /nfs/dbraw/zinc/02/71/79/209027179.db2.gz LTTVHFSGVYFBHP-LEWJYISDSA-N 1 0 360.505 3.739 50 0 FHAARO CCCCSc1nc(N)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000095360066 209027695 /nfs/dbraw/zinc/02/76/95/209027695.db2.gz XGOQUIFPXLRRIW-INIZCTEOSA-N 1 0 357.527 3.637 50 0 FHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095363450 209029515 /nfs/dbraw/zinc/02/95/15/209029515.db2.gz PXHYIVBBKKGXOI-GOSISDBHSA-N 1 0 372.488 3.509 50 0 FHAARO CC[NH+]1CCC(CC(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000095366430 209031271 /nfs/dbraw/zinc/03/12/71/209031271.db2.gz XEWVMVTTYQFQEY-OAQYLSRUSA-N 1 0 355.457 3.548 50 0 FHAARO C[NH+](C)CCCn1ccnc1C1CCN(c2nc3ccccc3s2)CC1 ZINC000095370077 209032985 /nfs/dbraw/zinc/03/29/85/209032985.db2.gz FNVXBDAVMAKFBS-UHFFFAOYSA-N 1 0 369.538 3.829 50 0 FHAARO Cn1ccc2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)cc21 ZINC000095371972 209034697 /nfs/dbraw/zinc/03/46/97/209034697.db2.gz HSPQUFKAJOHGPB-RBBKRZOGSA-N 1 0 360.505 3.670 50 0 FHAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)C2(C)CCCCC2)CC1 ZINC000095375924 209036900 /nfs/dbraw/zinc/03/69/00/209036900.db2.gz BDUUHZIDNZONIN-UHFFFAOYSA-N 1 0 360.546 3.511 50 0 FHAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cc(-c2ccc(Cl)cc2)on1 ZINC000095382865 209041904 /nfs/dbraw/zinc/04/19/04/209041904.db2.gz WPNSSXRRWFXQDD-QGZVFWFLSA-N 1 0 361.873 3.876 50 0 FHAARO c1nn(-c2ccccc2)cc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095383835 209042179 /nfs/dbraw/zinc/04/21/79/209042179.db2.gz CPGAKJUPJXYARH-XUZZJYLKSA-N 1 0 372.516 3.969 50 0 FHAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)C2CCCCCC2)CC1 ZINC000095390981 209047930 /nfs/dbraw/zinc/04/79/30/209047930.db2.gz SXPVFGUUQFCIDE-UHFFFAOYSA-N 1 0 360.546 3.511 50 0 FHAARO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Br)cc1Cl ZINC000095451383 209050449 /nfs/dbraw/zinc/05/04/49/209050449.db2.gz HTBQWXPQHYOEGZ-LLVKDONJSA-N 1 0 373.722 3.905 50 0 FHAARO CN(C)c1cccc(Cl)c1C[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000095450135 209051550 /nfs/dbraw/zinc/05/15/50/209051550.db2.gz BWVBSCNTXYKOPI-UHFFFAOYSA-N 1 0 373.928 3.528 50 0 FHAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)C2CC2)CC1 ZINC000095497433 209059359 /nfs/dbraw/zinc/05/93/59/209059359.db2.gz QLJXOKHOVADUHB-QFIPXVFZSA-N 1 0 370.537 3.625 50 0 FHAARO O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095949522 209088595 /nfs/dbraw/zinc/08/85/95/209088595.db2.gz CXXATKSZDPCJHS-LSDHHAIUSA-N 1 0 373.884 3.671 50 0 FHAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000095505663 209064795 /nfs/dbraw/zinc/06/47/95/209064795.db2.gz UZBFXYHKWQXQNY-LBPRGKRZSA-N 1 0 357.376 3.676 50 0 FHAARO CCN(CC(=O)NCc1ccccc1C[NH+](CC)CC)c1ccccc1 ZINC000070010775 221330309 /nfs/dbraw/zinc/33/03/09/221330309.db2.gz VHTJBFZDDNJMRV-UHFFFAOYSA-N 1 0 353.510 3.671 50 0 FHAARO CN1c2ccccc2Oc2nnc(N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000095284070 132206661 /nfs/dbraw/zinc/20/66/61/132206661.db2.gz KKEGVNCPHQPGEI-UHFFFAOYSA-N 1 0 373.460 3.672 50 0 FHAARO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000096012973 132217030 /nfs/dbraw/zinc/21/70/30/132217030.db2.gz FBGGHUSTSPHKGF-OAQYLSRUSA-N 1 0 371.569 3.872 50 0 FHAARO CC[NH+]1CCN(c2ncccc2-c2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000096339026 132225014 /nfs/dbraw/zinc/22/50/14/132225014.db2.gz OXPBSPUTXXHAFP-UHFFFAOYSA-N 1 0 369.856 3.594 50 0 FHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C\c2ccco2)CC1 ZINC000096822556 132225824 /nfs/dbraw/zinc/22/58/24/132225824.db2.gz GPHHQFHUXSMXBX-VURMDHGXSA-N 1 0 359.857 3.727 50 0 FHAARO CSC[C@H](C)[NH+]1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000055369655 132303214 /nfs/dbraw/zinc/30/32/14/132303214.db2.gz PYZCGRQYXLIISL-INIZCTEOSA-N 1 0 368.550 3.506 50 0 FHAARO O[C@@H](C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000020218824 132373757 /nfs/dbraw/zinc/37/37/57/132373757.db2.gz ATDYHWPLSVYKLF-SFHVURJKSA-N 1 0 350.384 3.561 50 0 FHAARO CC[NH+]1CCN(c2ncnc3cc(-c4ccc(OC)cc4)sc32)CC1 ZINC000009364187 132378663 /nfs/dbraw/zinc/37/86/63/132378663.db2.gz PHRBCIQVBXQAAA-UHFFFAOYSA-N 1 0 354.479 3.509 50 0 FHAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(C)nc3ccccc32)CC1 ZINC000009367771 132378732 /nfs/dbraw/zinc/37/87/32/132378732.db2.gz LWBDKZDFTREMTO-UHFFFAOYSA-N 1 0 374.488 3.937 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)CC1 ZINC000003363350 132385292 /nfs/dbraw/zinc/38/52/92/132385292.db2.gz GHGATZCSUPVELB-UHFFFAOYSA-N 1 0 373.884 3.743 50 0 FHAARO C[N@H+](CCn1cccn1)C1CCN(c2ccc(-c3cscn3)cc2)CC1 ZINC000048121799 136122989 /nfs/dbraw/zinc/12/29/89/136122989.db2.gz COQUVHQJPHGOTE-UHFFFAOYSA-N 1 0 367.522 3.607 50 0 FHAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccncc1 ZINC000057622086 136129658 /nfs/dbraw/zinc/12/96/58/136129658.db2.gz BMTMHZQTFFYOBR-UHFFFAOYSA-N 1 0 372.472 3.656 50 0 FHAARO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000058013569 136130259 /nfs/dbraw/zinc/13/02/59/136130259.db2.gz HQMCOXPTFUZDHA-UHFFFAOYSA-N 1 0 351.237 3.743 50 0 FHAARO CCC[C@@H]1CC[N@@H+](C2CCN(c3ccc(N4CCCC4=O)cc3)CC2)C1 ZINC000063857721 136133069 /nfs/dbraw/zinc/13/30/69/136133069.db2.gz OOJIDPYICYWBOP-GOSISDBHSA-N 1 0 355.526 3.904 50 0 FHAARO COc1ccc(C[N@@H+]2CCCC23CCN(c2cccc(C)n2)CC3)cc1O ZINC000072474884 136149088 /nfs/dbraw/zinc/14/90/88/136149088.db2.gz ANNXKOJLHSSMER-UHFFFAOYSA-N 1 0 367.493 3.739 50 0 FHAARO CC1=CC(C)(C)N(C(=O)C[NH+]2CCC(C)CC2)c2cc3c(cc21)OCO3 ZINC000334160280 136151591 /nfs/dbraw/zinc/15/15/91/136151591.db2.gz AAIKMFKGZZQFCE-UHFFFAOYSA-N 1 0 356.466 3.676 50 0 FHAARO Cc1ccc(CC[NH2+]C2CCN(c3cccc(N4CCCC4=O)c3)CC2)o1 ZINC000023581387 136153082 /nfs/dbraw/zinc/15/30/82/136153082.db2.gz BIAGMRDPVYQYAU-UHFFFAOYSA-N 1 0 367.493 3.516 50 0 FHAARO CCc1nc(C)c(C(=O)N2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)o1 ZINC000095531786 209079209 /nfs/dbraw/zinc/07/92/09/209079209.db2.gz HOLKCPMDAXVAAK-SFHVURJKSA-N 1 0 367.493 3.640 50 0 FHAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)N(Cc1ccc(O)cc1)C1CC1 ZINC000426490545 263605612 /nfs/dbraw/zinc/60/56/12/263605612.db2.gz RBOJFXYIZCHWGN-UHFFFAOYSA-N 1 0 374.868 3.578 50 0 FHAARO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc(OCc3ccccc3)c2)C1 ZINC000091708029 519635547 /nfs/dbraw/zinc/63/55/47/519635547.db2.gz AWAHDJJCMNOOLG-FCHUYYIVSA-N 1 0 364.489 3.708 50 0 FHAARO CC(C)[NH+]1CCC(CC(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000091305051 519669506 /nfs/dbraw/zinc/66/95/06/519669506.db2.gz DXFLTXMNJVVCIP-JOCHJYFZSA-N 1 0 351.494 3.798 50 0 FHAARO CCCOc1c(Br)cc(C[NH2+]Cc2cccnc2)cc1OC ZINC000020932772 520293581 /nfs/dbraw/zinc/29/35/81/520293581.db2.gz JHSYZYOERPOASB-UHFFFAOYSA-N 1 0 365.271 3.931 50 0 FHAARO CCOc1cc(CN2CC[NH+](CCCc3ccccc3)CC2)ccc1OC ZINC000019831901 520698996 /nfs/dbraw/zinc/69/89/96/520698996.db2.gz HAMPNXCHFOXLAM-UHFFFAOYSA-N 1 0 368.521 3.844 50 0 FHAARO CCN(CC)c1nnc(-n2cccc2C[NH2+]Cc2cccc(C)c2)s1 ZINC000020576633 520935208 /nfs/dbraw/zinc/93/52/08/520935208.db2.gz YIWLDIFCKZZNRZ-UHFFFAOYSA-N 1 0 355.511 3.773 50 0 FHAARO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020807194 522438602 /nfs/dbraw/zinc/43/86/02/522438602.db2.gz LQTRZGRKWASDLG-TZIWHRDSSA-N 1 0 368.521 3.762 50 0 FHAARO COc1cc2c(cc1NC(=O)CC(C)C)[C@@H]([C@H]1CC[C@@H]([NH3+])CC1)CC(=O)N2 ZINC000244874704 523017949 /nfs/dbraw/zinc/01/79/49/523017949.db2.gz XFXUGZAMERIAQH-QLFBSQMISA-N 1 0 373.497 3.623 50 0 FHAARO CC[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)nc2)CC[N@@H+]1C(C)C ZINC000020450931 523255305 /nfs/dbraw/zinc/25/53/05/523255305.db2.gz HAGSIPRBUYKDNA-FQEVSTJZSA-N 1 0 366.509 3.639 50 0 FHAARO CCn1ccnc1C1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000091650229 523525193 /nfs/dbraw/zinc/52/51/93/523525193.db2.gz FYZYRVXVQMDBKJ-UHFFFAOYSA-N 1 0 366.509 3.519 50 0 FHAARO C[NH+]1CCC(CNC(=O)C[C@H]2CCc3ccccc32)(c2ccccc2)CC1 ZINC000091656749 523762175 /nfs/dbraw/zinc/76/21/75/523762175.db2.gz BQSUSNGMOHIFEC-HXUWFJFHSA-N 1 0 362.517 3.886 50 0 FHAARO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3ccccc3)cc2)CC1 ZINC000078578708 523783307 /nfs/dbraw/zinc/78/33/07/523783307.db2.gz HKZRTYYAPQEWTP-UHFFFAOYSA-N 1 0 355.507 3.646 50 0 FHAARO COCCOC1CC[NH+](Cc2nc(-c3ccccc3Cl)oc2C)CC1 ZINC000020472140 523974877 /nfs/dbraw/zinc/97/48/77/523974877.db2.gz VDLZQIGQYMUEMX-UHFFFAOYSA-N 1 0 364.873 3.931 50 0 FHAARO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000078971036 524270680 /nfs/dbraw/zinc/27/06/80/524270680.db2.gz KDFKYDUXOGKACT-KRWDZBQOSA-N 1 0 361.505 3.741 50 0 FHAARO COc1ccccc1-c1ncc(C[NH+]2CCC(c3nccn3C)CC2)s1 ZINC000091644335 524282026 /nfs/dbraw/zinc/28/20/26/524282026.db2.gz XYXZUZZBZAPXHQ-UHFFFAOYSA-N 1 0 368.506 3.932 50 0 FHAARO Cc1ccc(Cl)cc1C(=O)NCc1cc2n(n1)CCC[N@@H+](CC(C)C)C2 ZINC000082121655 524724536 /nfs/dbraw/zinc/72/45/36/524724536.db2.gz OETQPOPFJFAZCE-UHFFFAOYSA-N 1 0 374.916 3.637 50 0 FHAARO C[C@@H]1C[NH+](CCCCNc2ncnc3c4ccccc4oc32)C[C@@H](C)O1 ZINC000079063624 524946370 /nfs/dbraw/zinc/94/63/70/524946370.db2.gz KOEPTOYJNUGADY-HUUCEWRRSA-N 1 0 354.454 3.677 50 0 FHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2OCc2ccc(F)cc2)C1 ZINC000156246188 525013332 /nfs/dbraw/zinc/01/33/32/525013332.db2.gz ZFMHMKSYFNZULS-NVXWUHKLSA-N 1 0 356.441 3.604 50 0 FHAARO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020639083 525312993 /nfs/dbraw/zinc/31/29/93/525312993.db2.gz SFSGMLLQAWAPJO-LJQANCHMSA-N 1 0 374.912 3.519 50 0 FHAARO Cc1ccc2c(ccn2CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000079189811 526222912 /nfs/dbraw/zinc/22/29/12/526222912.db2.gz VUEMIHAOTMCHIH-VQTJNVASSA-N 1 0 353.510 3.721 50 0 FHAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccc([C@@H]3CCCO3)s2)CC1 ZINC000082133582 526236556 /nfs/dbraw/zinc/23/65/56/526236556.db2.gz GYNNYXYBQZKDNN-KRWDZBQOSA-N 1 0 371.506 3.656 50 0 FHAARO O=C(CCCc1cccs1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091620546 526462178 /nfs/dbraw/zinc/46/21/78/526462178.db2.gz MWELSACBETUYAW-RBUKOAKNSA-N 1 0 369.534 3.589 50 0 FHAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)Nc1ccccc1 ZINC000082107692 526645060 /nfs/dbraw/zinc/64/50/60/526645060.db2.gz ZWQYWQLKAFCDKG-UHFFFAOYSA-N 1 0 367.497 3.743 50 0 FHAARO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](Cc1cccnc1)CC2 ZINC000091617042 526963588 /nfs/dbraw/zinc/96/35/88/526963588.db2.gz MVRQDMLGBGTRCO-UHFFFAOYSA-N 1 0 363.505 3.529 50 0 FHAARO [NH3+]C[C@@H]1CCN(C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)C1 ZINC000178570415 527217917 /nfs/dbraw/zinc/21/79/17/527217917.db2.gz KLRINIQIFQUSGW-QMMMGPOBSA-N 1 0 362.804 3.994 50 0 FHAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)C1 ZINC000178543768 527238037 /nfs/dbraw/zinc/23/80/37/527238037.db2.gz IGZZYJPSAZMYBB-LLVKDONJSA-N 1 0 366.248 3.602 50 0 FHAARO [NH3+]C[C@H]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC000178534384 527238467 /nfs/dbraw/zinc/23/84/67/527238467.db2.gz PMAVAOUZBGLRIV-CQSZACIVSA-N 1 0 365.408 3.569 50 0 FHAARO CCCOC[C@H]1CC[N@@H+](C2CCN(c3cc(C)nc(C(C)C)n3)CC2)C1 ZINC000095498670 535235362 /nfs/dbraw/zinc/23/53/62/535235362.db2.gz XPPOSLCRDWNVQA-SFHVURJKSA-N 1 0 360.546 3.626 50 0 FHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccco4)ccc3n2)CC1 ZINC000003649910 535743358 /nfs/dbraw/zinc/74/33/58/535743358.db2.gz NEYPDQSEGOTRNL-UHFFFAOYSA-N 1 0 364.449 3.530 50 0 FHAARO CC[NH+]1CCN(c2ccccc2NC(=O)N(CCC(C)C)C2CC2)CC1 ZINC000043574368 535753248 /nfs/dbraw/zinc/75/32/48/535753248.db2.gz OJODFRYMLGUMBF-UHFFFAOYSA-N 1 0 358.530 3.871 50 0 FHAARO CCc1cnc(C)nc1N1CCC([NH2+][C@@H](c2cccc(C)n2)C2CC2)CC1 ZINC000096140969 536019535 /nfs/dbraw/zinc/01/95/35/536019535.db2.gz XSYZFSQWFQTTSW-OAQYLSRUSA-N 1 0 365.525 3.761 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccccc3Cl)cc2)CC1 ZINC000032896434 536422580 /nfs/dbraw/zinc/42/25/80/536422580.db2.gz YYPMZQQMNVCEHI-UHFFFAOYSA-N 1 0 357.885 3.663 50 0 FHAARO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000215037469 568044377 /nfs/dbraw/zinc/04/43/77/568044377.db2.gz UYBASXBZLMTJRJ-SFHVURJKSA-N 1 0 367.493 3.666 50 0 FHAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2CCC[C@@H](c3noc(C)n3)C2)n1 ZINC000215265365 568060783 /nfs/dbraw/zinc/06/07/83/568060783.db2.gz IGDJMDZYWTZCRX-MRXNPFEDSA-N 1 0 369.444 3.699 50 0 FHAARO OCCC[NH+]1CCN(Cc2ccc(Sc3ccc(Cl)cc3)o2)CC1 ZINC000215655388 568082180 /nfs/dbraw/zinc/08/21/80/568082180.db2.gz KIMKNLNOYGQNOM-UHFFFAOYSA-N 1 0 366.914 3.584 50 0 FHAARO CC(=O)Nc1ccc(C[NH+]2CCC(c3nc4ccccc4n3C)CC2)cc1 ZINC000216067617 568103649 /nfs/dbraw/zinc/10/36/49/568103649.db2.gz LZAMOFPGRHEBNJ-UHFFFAOYSA-N 1 0 362.477 3.911 50 0 FHAARO COc1cccc2c1OCC(C[N@@H+]1CCC[C@@H](OCc3ccccn3)C1)=C2 ZINC000216123478 568106993 /nfs/dbraw/zinc/10/69/93/568106993.db2.gz GSKRCTAVUXURTC-HXUWFJFHSA-N 1 0 366.461 3.547 50 0 FHAARO c1cnn(Cc2ccc(C[NH+]3CCC(OCc4cccnc4)CC3)cc2)c1 ZINC000216226322 568113507 /nfs/dbraw/zinc/11/35/07/568113507.db2.gz BZHJROMMDWHKEH-UHFFFAOYSA-N 1 0 362.477 3.508 50 0 FHAARO Cc1cc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c2cc(Cl)ccc2n1 ZINC000216280992 568116254 /nfs/dbraw/zinc/11/62/54/568116254.db2.gz HEMGRBHUVZOCSG-FQEVSTJZSA-N 1 0 357.885 3.755 50 0 FHAARO C(=C/c1ccccc1)\CN1CC[NH+](Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000216475755 568124838 /nfs/dbraw/zinc/12/48/38/568124838.db2.gz MORSGZOFGAVIBH-XBXARRHUSA-N 1 0 372.516 3.762 50 0 FHAARO O=C(c1ccc(Cl)c(Cl)c1)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000219301280 568286573 /nfs/dbraw/zinc/28/65/73/568286573.db2.gz LALHPWDREXRSGV-OAHLLOKOSA-N 1 0 371.308 3.710 50 0 FHAARO COc1cccc(CN2CC[NH+](Cc3c(C)ccc4ncccc43)CC2)c1 ZINC000222485431 568532195 /nfs/dbraw/zinc/53/21/95/568532195.db2.gz LZWATQHZYCRERZ-UHFFFAOYSA-N 1 0 361.489 3.870 50 0 FHAARO COCc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)s1 ZINC000091779845 570438593 /nfs/dbraw/zinc/43/85/93/570438593.db2.gz FZGVZWAZHIUTIP-ZWKOTPCHSA-N 1 0 370.518 3.631 50 0 FHAARO COCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC000091780326 570438613 /nfs/dbraw/zinc/43/86/13/570438613.db2.gz QRHDHNYNSXUNBO-NZQKXSOJSA-N 1 0 350.506 3.896 50 0 FHAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc4occc4c3)C2)N1Cc1cscn1 ZINC000091820238 570439988 /nfs/dbraw/zinc/43/99/88/570439988.db2.gz FOLOYDUZASAPAJ-FUHWJXTLSA-N 1 0 367.474 3.512 50 0 FHAARO CC(C)C[C@@H](CNC(=O)NCc1ccncc1)[NH2+][C@@H](C)c1ccccc1 ZINC000072289616 570449379 /nfs/dbraw/zinc/44/93/79/570449379.db2.gz XCKBBVGNAKUILG-PXNSSMCTSA-N 1 0 354.498 3.646 50 0 FHAARO COc1cc(Cl)cc(C[N@H+]2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)c1OC ZINC000426411550 570450417 /nfs/dbraw/zinc/45/04/17/570450417.db2.gz TZOGYZWGRYSECE-VDZJLULYSA-N 1 0 369.889 3.516 50 0 FHAARO CCn1ccnc1CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000071882589 570479338 /nfs/dbraw/zinc/47/93/38/570479338.db2.gz PBIXLXCXVYUVRO-UHFFFAOYSA-N 1 0 364.272 3.743 50 0 FHAARO COc1ccc(OC)c(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)c1 ZINC000001179405 570489239 /nfs/dbraw/zinc/48/92/39/570489239.db2.gz VKQULZMSBIKIAJ-UHFFFAOYSA-N 1 0 374.525 3.755 50 0 FHAARO Cc1cc2c(cc1C)[n+](C[C@@H](O)COc1ccc(C(C)C)cc1)cn2C ZINC000001215764 570493723 /nfs/dbraw/zinc/49/37/23/570493723.db2.gz QTLUWOJKBIWGJB-LJQANCHMSA-N 1 0 353.486 3.646 50 0 FHAARO COc1ccc(CC[N@H+](C)CC(=O)c2c[nH]c3ccccc32)cc1OC ZINC000002292402 570518591 /nfs/dbraw/zinc/51/85/91/570518591.db2.gz OZXBCGPCZUMVSB-UHFFFAOYSA-N 1 0 352.434 3.542 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 ZINC000014199463 570519030 /nfs/dbraw/zinc/51/90/30/570519030.db2.gz XKHGTVCQGKMCPM-UHFFFAOYSA-N 1 0 367.493 3.614 50 0 FHAARO Cc1cccc(C)c1C(=O)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515237 570522994 /nfs/dbraw/zinc/52/29/94/570522994.db2.gz ZKMUSAHBNIBMOB-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO CCCNC(=O)c1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000034684868 570532799 /nfs/dbraw/zinc/53/27/99/570532799.db2.gz LSQRVMUDHPJIRE-UHFFFAOYSA-N 1 0 365.521 3.765 50 0 FHAARO C[C@H]1CCc2sc3ncnc(N4CC[NH+](C5CCCC5)CC4)c3c2C1 ZINC000004284120 570583014 /nfs/dbraw/zinc/58/30/14/570583014.db2.gz DVJDEKONLBPJEJ-AWEZNQCLSA-N 1 0 356.539 3.881 50 0 FHAARO CC1CCC([NH+]2CCC(N3CCN(c4ccccc4F)CC3)CC2)CC1 ZINC000004710752 570602687 /nfs/dbraw/zinc/60/26/87/570602687.db2.gz ALBSDAAPZPVGJZ-UHFFFAOYSA-N 1 0 359.533 3.991 50 0 FHAARO COc1cc2[nH+]c(N3CCN(c4ccccc4)CC3)cc(C)c2c(OC)c1 ZINC000004982180 570616222 /nfs/dbraw/zinc/61/62/22/570616222.db2.gz OOWGSEQKQRRIRB-UHFFFAOYSA-N 1 0 363.461 3.887 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000252678288 570625048 /nfs/dbraw/zinc/62/50/48/570625048.db2.gz DCVHEURVXSDGDC-QUCCMNQESA-N 1 0 368.525 3.747 50 0 FHAARO CC(=O)c1cc(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cs1 ZINC000012075513 570717206 /nfs/dbraw/zinc/71/72/06/570717206.db2.gz HGCBFQYIOUEWNW-IBGZPJMESA-N 1 0 370.518 3.778 50 0 FHAARO OCC1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2cccnc2)CC1 ZINC000012434838 570745279 /nfs/dbraw/zinc/74/52/79/570745279.db2.gz IXXGQPSAKGEBJC-UHFFFAOYSA-N 1 0 364.411 3.918 50 0 FHAARO CC(=O)c1cc(C(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cs1 ZINC000012594298 570752428 /nfs/dbraw/zinc/75/24/28/570752428.db2.gz BURHREAJSOSVBD-IBGZPJMESA-N 1 0 370.518 3.730 50 0 FHAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@@H](C)CC3CC3)CC2)c1 ZINC000012704873 570757145 /nfs/dbraw/zinc/75/71/45/570757145.db2.gz JSTSPIUAPDDPMK-HNNXBMFYSA-N 1 0 372.509 3.619 50 0 FHAARO O=C(N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)c1ccc2[nH]ccc2c1 ZINC000012745247 570759058 /nfs/dbraw/zinc/75/90/58/570759058.db2.gz YPIGVRXDSMBACN-HXUWFJFHSA-N 1 0 359.473 3.530 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000012789691 570761427 /nfs/dbraw/zinc/76/14/27/570761427.db2.gz YSGVRAXNENQJPC-UHFFFAOYSA-N 1 0 365.477 3.542 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Nc2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000012998924 570771693 /nfs/dbraw/zinc/77/16/93/570771693.db2.gz LDIIEKYCVOOUSM-LJQANCHMSA-N 1 0 369.465 3.662 50 0 FHAARO COc1cc(C[NH2+]CCCCCO)ccc1OCc1ccc(Cl)nc1 ZINC000013727144 570787689 /nfs/dbraw/zinc/78/76/89/570787689.db2.gz CLSAJFUSSNDOMZ-UHFFFAOYSA-N 1 0 364.873 3.575 50 0 FHAARO COc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(C)cc2)cc1 ZINC000013756316 570789428 /nfs/dbraw/zinc/78/94/28/570789428.db2.gz NIZLXWLHFHSLKE-JOCHJYFZSA-N 1 0 351.470 3.654 50 0 FHAARO COc1cc(CC[NH2+]Cc2ccc(NC(C)=O)cc2)ccc1OC(F)F ZINC000014138260 570807896 /nfs/dbraw/zinc/80/78/96/570807896.db2.gz GEDUMUORKJSDEJ-UHFFFAOYSA-N 1 0 364.392 3.587 50 0 FHAARO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000014185773 570810754 /nfs/dbraw/zinc/81/07/54/570810754.db2.gz HMUGHDYTAKDWQU-HNNXBMFYSA-N 1 0 354.450 3.715 50 0 FHAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000014254277 570816605 /nfs/dbraw/zinc/81/66/05/570816605.db2.gz BQTUGBMVHLJYBB-SNVBAGLBSA-N 1 0 367.232 3.839 50 0 FHAARO CCc1sc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000032831044 570818673 /nfs/dbraw/zinc/81/86/73/570818673.db2.gz DSELNEOVLSWNPD-UHFFFAOYSA-N 1 0 371.550 3.561 50 0 FHAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](C1CCCC1)CC2 ZINC000014531077 570819560 /nfs/dbraw/zinc/81/95/60/570819560.db2.gz RRLZYLXNEUZHOR-UHFFFAOYSA-N 1 0 363.546 3.730 50 0 FHAARO COc1ccccc1CCN1C(=O)CC[C@H]1CC[NH2+]Cc1cccc(F)c1 ZINC000014879358 570825503 /nfs/dbraw/zinc/82/55/03/570825503.db2.gz LGFXYMMHCYFCHS-FQEVSTJZSA-N 1 0 370.468 3.548 50 0 FHAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cc(F)ccc2F)c1 ZINC000014886377 570825553 /nfs/dbraw/zinc/82/55/53/570825553.db2.gz IBQNBNRYBUGJCM-GOSISDBHSA-N 1 0 374.431 3.644 50 0 FHAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(F)c(Cl)c1 ZINC000014971812 570827284 /nfs/dbraw/zinc/82/72/84/570827284.db2.gz IPENMGKZVIHIBW-QGZVFWFLSA-N 1 0 360.860 3.916 50 0 FHAARO C[C@H](CCc1ccccc1)[N@H+]1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000014968081 570827336 /nfs/dbraw/zinc/82/73/36/570827336.db2.gz VEMIUMWMOTUJBL-GOSISDBHSA-N 1 0 354.469 3.881 50 0 FHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)N[C@@H]1CCc3ccccc31)C[C@@H](C)O2 ZINC000015006794 570828883 /nfs/dbraw/zinc/82/88/83/570828883.db2.gz HEKVYKQLHIMKBV-DYESRHJHSA-N 1 0 364.489 3.772 50 0 FHAARO O=C(c1ccc(NC2CCCC2)nc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000015062213 570830475 /nfs/dbraw/zinc/83/04/75/570830475.db2.gz KVUIEMASEHCDKM-UHFFFAOYSA-N 1 0 370.541 3.917 50 0 FHAARO COc1ccccc1/C=C/C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O ZINC000015067511 570830830 /nfs/dbraw/zinc/83/08/30/570830830.db2.gz CWZIIIXMMFTAJJ-HAOIVFDCSA-N 1 0 368.521 3.823 50 0 FHAARO O=C1N(CCCc2ccccc2)CCC[C@@]12CC[N@H+](Cc1cccnc1)C2 ZINC000015074929 570831840 /nfs/dbraw/zinc/83/18/40/570831840.db2.gz SSGHANFMUKLQBS-QHCPKHFHSA-N 1 0 363.505 3.529 50 0 FHAARO CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1cc(C)cc(CC)c1 ZINC000015746177 570843636 /nfs/dbraw/zinc/84/36/36/570843636.db2.gz HDDBPBTXLIIBKG-IBGZPJMESA-N 1 0 367.513 3.729 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)[NH+]2CCC(C)CC2)o1 ZINC000015860294 570846558 /nfs/dbraw/zinc/84/65/58/570846558.db2.gz UPRODHQMQDCDDT-LJQANCHMSA-N 1 0 370.493 3.865 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2)[NH+]2CCC(C)CC2)o1 ZINC000015860287 570846607 /nfs/dbraw/zinc/84/66/07/570846607.db2.gz YACUFLXENSJFFS-IBGZPJMESA-N 1 0 356.466 3.556 50 0 FHAARO C[NH+](C)CCN(C(=O)/C=C/c1ccccc1)c1nc2ccccc2s1 ZINC000004585271 570851596 /nfs/dbraw/zinc/85/15/96/570851596.db2.gz DROZUAISVYINIC-OUKQBFOZSA-N 1 0 351.475 3.904 50 0 FHAARO CCN1CCC[C@H]1C[NH2+][C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000103952045 570854536 /nfs/dbraw/zinc/85/45/36/570854536.db2.gz XFYNEJAINDSACU-MJGOQNOKSA-N 1 0 367.493 3.880 50 0 FHAARO CC[NH+]1CCC(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)CC1 ZINC000016605639 570858564 /nfs/dbraw/zinc/85/85/64/570858564.db2.gz AHQMCGUENWORCL-UHFFFAOYSA-N 1 0 365.836 3.657 50 0 FHAARO CC(C)CC[N@@H+]1CCN(Cc2cnc(-c3ccccc3)s2)C[C@H]1CCO ZINC000104333082 570858750 /nfs/dbraw/zinc/85/87/50/570858750.db2.gz XEQULGDRLPZBKT-LJQANCHMSA-N 1 0 373.566 3.725 50 0 FHAARO CCOc1ccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 ZINC000016976160 570864491 /nfs/dbraw/zinc/86/44/91/570864491.db2.gz JEYHQGHKYHTMSB-UHFFFAOYSA-N 1 0 365.428 3.810 50 0 FHAARO CC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000104972667 570865630 /nfs/dbraw/zinc/86/56/30/570865630.db2.gz KNTNIIKNFPNIOU-IEBWSBKVSA-N 1 0 373.493 3.744 50 0 FHAARO CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984253 570865843 /nfs/dbraw/zinc/86/58/43/570865843.db2.gz XZLQKQCDIHCOQB-NHCUHLMSSA-N 1 0 370.468 3.982 50 0 FHAARO C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985050 570866235 /nfs/dbraw/zinc/86/62/35/570866235.db2.gz CCRYVKOEOBSQCC-DNVCBOLYSA-N 1 0 358.869 3.716 50 0 FHAARO CC[N@H+](CC(=O)NC(=O)Nc1ccccc1F)[C@@H](C)c1cccc(OC)c1 ZINC000032927246 570867421 /nfs/dbraw/zinc/86/74/21/570867421.db2.gz FHTWWWKIUYLNDP-AWEZNQCLSA-N 1 0 373.428 3.566 50 0 FHAARO C[C@@H](CCc1ccccc1)NC(=O)N1CCN(Cc2cccs2)CC1 ZINC000017116133 570868797 /nfs/dbraw/zinc/86/87/97/570868797.db2.gz JZQZUZVIKQMUMD-KRWDZBQOSA-N 1 0 357.523 3.597 50 0 FHAARO CSc1cccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)c1 ZINC000019222198 570882476 /nfs/dbraw/zinc/88/24/76/570882476.db2.gz YYNJKBKNUIFMJM-NRFANRHFSA-N 1 0 370.562 3.786 50 0 FHAARO Cc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCN(C)CC2)cc1 ZINC000019363437 570887533 /nfs/dbraw/zinc/88/75/33/570887533.db2.gz KEEMCXZDOIJYBE-UHFFFAOYSA-N 1 0 373.504 3.512 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNCc1cccc(OC)c1OCc1ccccc1F ZINC000019367016 570888123 /nfs/dbraw/zinc/88/81/23/570888123.db2.gz VWZSBFYGZBKDQS-IBGZPJMESA-N 1 0 372.484 3.987 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000012140164 570890247 /nfs/dbraw/zinc/89/02/47/570890247.db2.gz GQWGTSDTNYYQQR-QGZVFWFLSA-N 1 0 359.857 3.953 50 0 FHAARO Fc1cccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000019595239 570895771 /nfs/dbraw/zinc/89/57/71/570895771.db2.gz AMRIRKXCTVNVBP-JOCHJYFZSA-N 1 0 353.485 3.612 50 0 FHAARO Cc1cc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)ccc1C(C)C ZINC000019607610 570896425 /nfs/dbraw/zinc/89/64/25/570896425.db2.gz GADRZLHVVWQVPX-OAQYLSRUSA-N 1 0 368.521 3.680 50 0 FHAARO CCC(CC)[NH+]1CCC(O)(Cc2cc(-c3cccc(OC)c3)no2)CC1 ZINC000019741281 570901752 /nfs/dbraw/zinc/90/17/52/570901752.db2.gz BHTOMCKGIXECID-UHFFFAOYSA-N 1 0 358.482 3.908 50 0 FHAARO Cc1ccccc1N1CC[NH+](C[C@]2(c3cccc(F)c3)CCOC2)CC1 ZINC000019771318 570902613 /nfs/dbraw/zinc/90/26/13/570902613.db2.gz UIACPXGZJKSNPF-JOCHJYFZSA-N 1 0 354.469 3.614 50 0 FHAARO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000045974127 570916926 /nfs/dbraw/zinc/91/69/26/570916926.db2.gz LUYNTIACIWYKKD-UHFFFAOYSA-N 1 0 365.477 3.814 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@@H](c1cc(OC)ccc1OC)[NH2+]CC2 ZINC000020506886 570918630 /nfs/dbraw/zinc/91/86/30/570918630.db2.gz DWNCSOWIELPVLP-NRFANRHFSA-N 1 0 357.450 3.736 50 0 FHAARO O=C(COc1ccccc1Cl)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000021148652 570928406 /nfs/dbraw/zinc/92/84/06/570928406.db2.gz ADBXCDZKAHPWCX-QGZVFWFLSA-N 1 0 364.917 3.976 50 0 FHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1Cc2ccccc2S1 ZINC000021407811 570930403 /nfs/dbraw/zinc/93/04/03/570930403.db2.gz MDZBJVFXIGDZDB-HXUWFJFHSA-N 1 0 352.503 3.616 50 0 FHAARO CCc1ccc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)cc1 ZINC000021658743 570932303 /nfs/dbraw/zinc/93/23/03/570932303.db2.gz YIYMSKBKQIWLLM-FQEVSTJZSA-N 1 0 358.526 3.885 50 0 FHAARO COc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OC ZINC000022074380 570939109 /nfs/dbraw/zinc/93/91/09/570939109.db2.gz XDGGCZLTQUWSIL-UHFFFAOYSA-N 1 0 350.256 3.799 50 0 FHAARO Cc1cc(Cl)c(OCCCC[NH+]2CCOCC2)c(Br)c1 ZINC000022310054 570942951 /nfs/dbraw/zinc/94/29/51/570942951.db2.gz VUOPKCFTFFSNPG-UHFFFAOYSA-N 1 0 362.695 3.902 50 0 FHAARO Cc1cc(C)c(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(C)c1 ZINC000022402760 570943260 /nfs/dbraw/zinc/94/32/60/570943260.db2.gz SZZRGQUGUGSMFP-LJQANCHMSA-N 1 0 370.493 3.927 50 0 FHAARO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000048331722 570947540 /nfs/dbraw/zinc/94/75/40/570947540.db2.gz NVXGPWPUHQINDK-HOCLYGCPSA-N 1 0 372.513 3.585 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)cc1Cl ZINC000048356032 570949676 /nfs/dbraw/zinc/94/96/76/570949676.db2.gz HAUZEROVTILWJN-UHFFFAOYSA-N 1 0 364.276 3.783 50 0 FHAARO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000022804456 570950052 /nfs/dbraw/zinc/95/00/52/570950052.db2.gz RTUNJAOKVMRPCL-MAUKXSAKSA-N 1 0 359.445 3.563 50 0 FHAARO CCC[NH+]1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000022787098 570950071 /nfs/dbraw/zinc/95/00/71/570950071.db2.gz VKVRSKBKZWRWAQ-FQEVSTJZSA-N 1 0 355.457 3.533 50 0 FHAARO Cc1noc([C@H](C)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022931575 570952933 /nfs/dbraw/zinc/95/29/33/570952933.db2.gz DKPMXUXAYFVORH-KRWDZBQOSA-N 1 0 362.477 3.846 50 0 FHAARO CCN1CCC[C@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000022930499 570952962 /nfs/dbraw/zinc/95/29/62/570952962.db2.gz VUWUVGLXVTUBDU-FQEVSTJZSA-N 1 0 367.493 3.521 50 0 FHAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000022936714 570953918 /nfs/dbraw/zinc/95/39/18/570953918.db2.gz WPWCPUKNRABVDR-OAQYLSRUSA-N 1 0 368.521 3.891 50 0 FHAARO COc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022968412 570954361 /nfs/dbraw/zinc/95/43/61/570954361.db2.gz WGCMYTBJAKICSP-UHFFFAOYSA-N 1 0 358.869 3.743 50 0 FHAARO Cc1nc([C@H](C)[NH2+]C2CCN(c3cccc(-n4cccn4)c3)CC2)cs1 ZINC000023368235 570961970 /nfs/dbraw/zinc/96/19/70/570961970.db2.gz PLSYAUVVGMLZKP-HNNXBMFYSA-N 1 0 367.522 3.957 50 0 FHAARO OCC1CC[NH+]([C@@H]2CCCN(Cc3cccc(OC4CCCC4)c3)C2)CC1 ZINC000023372978 570962043 /nfs/dbraw/zinc/96/20/43/570962043.db2.gz QZVPYRVKUVXUFQ-OAQYLSRUSA-N 1 0 372.553 3.677 50 0 FHAARO Cc1c2ccccc2[nH]c1CN1CC[N@@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000023360971 570962266 /nfs/dbraw/zinc/96/22/66/570962266.db2.gz UGSCIFHLOLQYGN-IBGZPJMESA-N 1 0 355.526 3.678 50 0 FHAARO Cc1c(C[N@H+]2CC=C(c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023717942 570966832 /nfs/dbraw/zinc/96/68/32/570966832.db2.gz HWNBBASTPJVSNP-UHFFFAOYSA-N 1 0 359.473 3.774 50 0 FHAARO CC(=O)Nc1ccc2c(C[N@H+](C)Cc3ccccc3C)cc(=O)oc2c1 ZINC000023816703 570967948 /nfs/dbraw/zinc/96/79/48/570967948.db2.gz JQKNWJMLXYUENI-UHFFFAOYSA-N 1 0 350.418 3.692 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2cccs2)n1)c1ccsc1 ZINC000025331107 570994477 /nfs/dbraw/zinc/99/44/77/570994477.db2.gz BCPNXNYLJLHVMH-ZDUSSCGKSA-N 1 0 363.533 3.966 50 0 FHAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2F)CC1 ZINC000027387283 571012202 /nfs/dbraw/zinc/01/22/02/571012202.db2.gz KGVNMEPIFWKWKQ-VAWYXSNFSA-N 1 0 352.453 3.882 50 0 FHAARO COc1cccc([C@H](CNC(=O)c2cc(C)sc2C)[NH+]2CCCC2)c1 ZINC000027341518 571012243 /nfs/dbraw/zinc/01/22/43/571012243.db2.gz QDMDFGBKGLEPAC-IBGZPJMESA-N 1 0 358.507 3.940 50 0 FHAARO Cc1cc(O[C@H](C)C(=O)NCC2([NH+](C)C)CCCCC2)ccc1Cl ZINC000027581373 571014158 /nfs/dbraw/zinc/01/41/58/571014158.db2.gz YLYLEFVCYOIKHP-OAHLLOKOSA-N 1 0 352.906 3.796 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000027592052 571016149 /nfs/dbraw/zinc/01/61/49/571016149.db2.gz KMARFWVFCBSPCP-QGZVFWFLSA-N 1 0 368.374 3.806 50 0 FHAARO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cccc(Cl)c1 ZINC000040092543 571016859 /nfs/dbraw/zinc/01/68/59/571016859.db2.gz CNXKRUWGYNLNDA-QGZVFWFLSA-N 1 0 371.912 3.671 50 0 FHAARO Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027663925 571018085 /nfs/dbraw/zinc/01/80/85/571018085.db2.gz GDFAWUPTAPFXKQ-KRWDZBQOSA-N 1 0 358.507 3.779 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2)o1)c1cccs1 ZINC000027675643 571018875 /nfs/dbraw/zinc/01/88/75/571018875.db2.gz NBAWVJHRBGZXRU-QGZVFWFLSA-N 1 0 370.474 3.953 50 0 FHAARO CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793071 571021037 /nfs/dbraw/zinc/02/10/37/571021037.db2.gz YYGIYHZGLPEFSD-QFIPXVFZSA-N 1 0 366.505 3.890 50 0 FHAARO O[C@H](C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000028264445 571028652 /nfs/dbraw/zinc/02/86/52/571028652.db2.gz JGUKPLVOUZYGOC-HXUWFJFHSA-N 1 0 362.876 3.720 50 0 FHAARO COc1ccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1Br ZINC000008328789 571040680 /nfs/dbraw/zinc/04/06/80/571040680.db2.gz QSZVDWTXWCZWCZ-BETUJISGSA-N 1 0 355.301 3.961 50 0 FHAARO C[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCO2)[C@@H]1CCc2ccccc21 ZINC000029489194 571041090 /nfs/dbraw/zinc/04/10/90/571041090.db2.gz IYYSEPOFTTZSJG-MRXNPFEDSA-N 1 0 358.825 3.627 50 0 FHAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccc2c(c1)OCO2 ZINC000038489611 571043792 /nfs/dbraw/zinc/04/37/92/571043792.db2.gz WSPPSNZMYBLJPZ-UHFFFAOYSA-N 1 0 373.478 3.511 50 0 FHAARO Cc1ccc(CSc2nc3ccccc3c(=O)n2CC[NH+](C)C)cc1C ZINC000067258692 571048479 /nfs/dbraw/zinc/04/84/79/571048479.db2.gz RGGIPFGMXRMJMS-UHFFFAOYSA-N 1 0 367.518 3.867 50 0 FHAARO COc1ccc(-c2cc(-c3ccccc3)nc(N3CC[NH+](C)CC3)n2)cc1 ZINC000001188714 571069720 /nfs/dbraw/zinc/06/97/20/571069720.db2.gz FRBRSQGICOIDHN-UHFFFAOYSA-N 1 0 360.461 3.571 50 0 FHAARO O=C(NCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1 ZINC000003105583 571071883 /nfs/dbraw/zinc/07/18/83/571071883.db2.gz SLXKEMYWRHLUOC-UHFFFAOYSA-N 1 0 372.900 3.674 50 0 FHAARO CC(=O)c1ccc(N2CC[NH+]([C@H](C)CCc3ccc(O)cc3)CC2)cc1 ZINC000023282525 571073371 /nfs/dbraw/zinc/07/33/71/571073371.db2.gz RBAIMOYWWNZCBF-QGZVFWFLSA-N 1 0 352.478 3.738 50 0 FHAARO CCc1ccc(C(=O)N[C@@H](C)CC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000040092556 571075599 /nfs/dbraw/zinc/07/55/99/571075599.db2.gz TYEYKYKKRVUUOZ-KRWDZBQOSA-N 1 0 371.550 3.641 50 0 FHAARO Cc1ccnn1-c1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000040108511 571078619 /nfs/dbraw/zinc/07/86/19/571078619.db2.gz MSSGMHBFLMPHOW-ROUUACIJSA-N 1 0 368.525 3.669 50 0 FHAARO Cc1[nH]c2ccccc2c1C(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000036079844 571079278 /nfs/dbraw/zinc/07/92/78/571079278.db2.gz AMSSASOZRKPKRB-UHFFFAOYSA-N 1 0 351.425 3.620 50 0 FHAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCCn2cnc3ccccc32)cc1 ZINC000012774413 571093339 /nfs/dbraw/zinc/09/33/39/571093339.db2.gz KOIXYVJYTWHFBS-UHFFFAOYSA-N 1 0 361.449 3.615 50 0 FHAARO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000097096372 571094150 /nfs/dbraw/zinc/09/41/50/571094150.db2.gz HSISGYRWISVJQL-CQSZACIVSA-N 1 0 357.458 3.755 50 0 FHAARO Cc1cccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H]2CCCO2)c1 ZINC000245279950 571096425 /nfs/dbraw/zinc/09/64/25/571096425.db2.gz KTLXZYAIABAAHU-DHIUTWEWSA-N 1 0 369.505 3.554 50 0 FHAARO Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C(F)(F)F)C2)no1 ZINC000014083103 571097554 /nfs/dbraw/zinc/09/75/54/571097554.db2.gz VCVQOUHTBKKBJT-ZBFHGGJFSA-N 1 0 367.371 3.937 50 0 FHAARO CC[NH+](CC)[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000084771163 571099596 /nfs/dbraw/zinc/09/95/96/571099596.db2.gz UHKIBAGCAUJRGU-HXUWFJFHSA-N 1 0 351.450 3.593 50 0 FHAARO C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000069619797 571100198 /nfs/dbraw/zinc/10/01/98/571100198.db2.gz IDLFVOWECITYNA-APWZRJJASA-N 1 0 355.457 3.652 50 0 FHAARO CC[C@@H](C)[N@H+](CCNC(=O)Cc1noc2ccc(C)cc21)Cc1ccco1 ZINC000015675140 571101943 /nfs/dbraw/zinc/10/19/43/571101943.db2.gz JSDRBGILVDKHML-MRXNPFEDSA-N 1 0 369.465 3.689 50 0 FHAARO CCC[C@@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)CC1 ZINC000015679351 571103362 /nfs/dbraw/zinc/10/33/62/571103362.db2.gz UHFRIQJFQGHENT-QGZVFWFLSA-N 1 0 354.498 3.640 50 0 FHAARO C[NH+]1CCC(OCCCNC(=O)c2ccc(-c3ccsc3)cc2)CC1 ZINC000426641495 571105146 /nfs/dbraw/zinc/10/51/46/571105146.db2.gz XCQXIVQIVNSVGC-UHFFFAOYSA-N 1 0 358.507 3.646 50 0 FHAARO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H](OCC)C23CCCC3)cc1 ZINC000241564169 571109877 /nfs/dbraw/zinc/10/98/77/571109877.db2.gz ORYRAXXLYBBTJG-ZYSHUDEJSA-N 1 0 360.498 3.740 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCOc3ccccc3)cc2C)CC1 ZINC000009470145 571110478 /nfs/dbraw/zinc/11/04/78/571110478.db2.gz MSKJAVCUVKJLSO-UHFFFAOYSA-N 1 0 367.493 3.545 50 0 FHAARO CC(C)[C@H]1C[C@](CC(=O)NCCC[NH+](C)C)(Cc2ccccc2)CCO1 ZINC000009486017 571111065 /nfs/dbraw/zinc/11/10/65/571111065.db2.gz KYHWDEMTSLKBIC-IFMALSPDSA-N 1 0 360.542 3.509 50 0 FHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000012809299 571111753 /nfs/dbraw/zinc/11/17/53/571111753.db2.gz MXSDMUFGRFRLKY-MRXNPFEDSA-N 1 0 364.367 3.590 50 0 FHAARO COc1ccc(CC[NH+]2CCN(c3ccccc3SC)CC2)cc1OC ZINC000005141276 571113402 /nfs/dbraw/zinc/11/34/02/571113402.db2.gz ZAYFNMYDNWEICN-UHFFFAOYSA-N 1 0 372.534 3.790 50 0 FHAARO CC(=O)Oc1c(C)cc(C[N@H+](CCCO)Cc2ccc(C)s2)cc1C ZINC000055036481 571115373 /nfs/dbraw/zinc/11/53/73/571115373.db2.gz IRTHZUCRAFCSDV-UHFFFAOYSA-N 1 0 361.507 3.983 50 0 FHAARO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccc2c(c1)OCCO2 ZINC000055061081 571115725 /nfs/dbraw/zinc/11/57/25/571115725.db2.gz XCOGAODTSSPTQD-UHFFFAOYSA-N 1 0 353.397 3.619 50 0 FHAARO Cc1ccccc1-c1ncc(C[NH+]2CCC(Cc3nncn3C)CC2)s1 ZINC000055060707 571115841 /nfs/dbraw/zinc/11/58/41/571115841.db2.gz PFXDMMSRCJFDCQ-UHFFFAOYSA-N 1 0 367.522 3.702 50 0 FHAARO COc1ccc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)cc1CO ZINC000055120050 571116512 /nfs/dbraw/zinc/11/65/12/571116512.db2.gz AWCGPEDTEDLXGN-FQEVSTJZSA-N 1 0 355.478 3.880 50 0 FHAARO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)Cc1cc(C(C)C)no1 ZINC000244795203 571116843 /nfs/dbraw/zinc/11/68/43/571116843.db2.gz RBKURMNIXOLWJC-UHFFFAOYSA-N 1 0 365.861 3.921 50 0 FHAARO C[C@H](Cc1cnccn1)[NH2+]Cc1cnc(-c2ccc3ccccc3c2)nc1 ZINC000055166309 571117494 /nfs/dbraw/zinc/11/74/94/571117494.db2.gz GEECVGYTMUQTHY-MRXNPFEDSA-N 1 0 355.445 3.808 50 0 FHAARO CC[C@H](CO)[N@H+](Cc1cccs1)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000055243903 571118238 /nfs/dbraw/zinc/11/82/38/571118238.db2.gz HPXMUQLAAQSLTM-MRXNPFEDSA-N 1 0 357.475 3.936 50 0 FHAARO Cn1cc(C[N@H+](C)Cc2ccc3nsnc3c2)c(-c2ccccc2F)n1 ZINC000055253848 571118790 /nfs/dbraw/zinc/11/87/90/571118790.db2.gz WANNQGUQKKUURX-UHFFFAOYSA-N 1 0 367.453 3.863 50 0 FHAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N(Cc1nccs1)Cc1ccccc1 ZINC000055256003 571118849 /nfs/dbraw/zinc/11/88/49/571118849.db2.gz NUWBSYGKEPTOIL-GOSISDBHSA-N 1 0 357.523 3.936 50 0 FHAARO O=C(Cc1ccc(O)c(Cl)c1)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000244884427 571119375 /nfs/dbraw/zinc/11/93/75/571119375.db2.gz YMJPOJRURCXHTQ-UHFFFAOYSA-N 1 0 372.896 3.584 50 0 FHAARO CSc1ccc(C[N@H+](CCO)Cc2ccc(-c3cc[nH]n3)s2)cc1 ZINC000055327418 571119631 /nfs/dbraw/zinc/11/96/31/571119631.db2.gz MXXZJGRVPWNHNG-UHFFFAOYSA-N 1 0 359.520 3.855 50 0 FHAARO Cc1c(NCc2ccccn2)cccc1C(=O)N(C)C[C@@H]1CCCC[N@@H+]1C ZINC000055368952 571119968 /nfs/dbraw/zinc/11/99/68/571119968.db2.gz CSNZTCJILPMZDP-IBGZPJMESA-N 1 0 366.509 3.558 50 0 FHAARO Cc1noc(-c2ccc(-c3cc(O)cc(CC[C@@H]4CCCC[NH2+]4)c3)nc2)n1 ZINC000071765520 571125030 /nfs/dbraw/zinc/12/50/30/571125030.db2.gz HFHSJSULOPWREV-SFHVURJKSA-N 1 0 364.449 3.887 50 0 FHAARO COc1ccc([C@H](CNC(=[NH2+])NCc2ccccc2)N2CCCCC2)cc1 ZINC000058112152 571125329 /nfs/dbraw/zinc/12/53/29/571125329.db2.gz LHEWNSAQXJQRPO-NRFANRHFSA-N 1 0 366.509 3.536 50 0 FHAARO C[C@@H]1C[NH+](CCCOc2ccc(Cl)cc2Br)C[C@@H](C)O1 ZINC000020167396 571125762 /nfs/dbraw/zinc/12/57/62/571125762.db2.gz XLTNEDTUYPIMMM-VXGBXAGGSA-N 1 0 362.695 3.981 50 0 FHAARO C[C@H](c1cccnc1)N(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000068405343 571125843 /nfs/dbraw/zinc/12/58/43/571125843.db2.gz PMNKSBOXPSYEOG-GOSISDBHSA-N 1 0 366.509 3.696 50 0 FHAARO Fc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000058166159 571126610 /nfs/dbraw/zinc/12/66/10/571126610.db2.gz MGTNBLMEXLEPLM-FCHUYYIVSA-N 1 0 354.469 3.864 50 0 FHAARO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(-c2nnco2)c1 ZINC000058167246 571126735 /nfs/dbraw/zinc/12/67/35/571126735.db2.gz VDTQKKFUINYSQH-QGZVFWFLSA-N 1 0 357.458 3.513 50 0 FHAARO CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@H]1C/C=C\CCCC[NH+](C)C ZINC000583653025 571127026 /nfs/dbraw/zinc/12/70/26/571127026.db2.gz VNLQPSLXSAMMMJ-MIVOTJBLSA-N 1 0 367.574 3.520 50 0 FHAARO CC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)cc1 ZINC000058176725 571127422 /nfs/dbraw/zinc/12/74/22/571127422.db2.gz UDARDGYDBFRYCI-CHWSQXEVSA-N 1 0 359.857 3.976 50 0 FHAARO CC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1C ZINC000058192890 571128045 /nfs/dbraw/zinc/12/80/45/571128045.db2.gz NKHTWUIABJVYOK-MRXNPFEDSA-N 1 0 373.522 3.538 50 0 FHAARO c1sc(-c2ncccn2)nc1CNC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000058202260 571128822 /nfs/dbraw/zinc/12/88/22/571128822.db2.gz ROYDEGSGUNEGBK-GOSISDBHSA-N 1 0 365.506 3.527 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNc1onc(-c2ccc(Cl)cc2)c1C(=O)OC ZINC000015821665 571128995 /nfs/dbraw/zinc/12/89/95/571128995.db2.gz JZOMAWMGRHCJGO-CQSZACIVSA-N 1 0 363.845 3.678 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNc1onc(-c2ccc(Cl)cc2)c1C(=O)OC ZINC000015821670 571129128 /nfs/dbraw/zinc/12/91/28/571129128.db2.gz JZOMAWMGRHCJGO-AWEZNQCLSA-N 1 0 363.845 3.678 50 0 FHAARO Fc1ccc(C[N@@H+]2CCCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000025075697 571129226 /nfs/dbraw/zinc/12/92/26/571129226.db2.gz XFIUUAOFABYBEO-UHFFFAOYSA-N 1 0 364.468 3.719 50 0 FHAARO C[C@@H](Oc1ccccc1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000058217569 571129341 /nfs/dbraw/zinc/12/93/41/571129341.db2.gz DHSZGBKTKAXDSG-HXUWFJFHSA-N 1 0 366.505 3.621 50 0 FHAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000058229018 571130067 /nfs/dbraw/zinc/13/00/67/571130067.db2.gz IFIWSWYHHHQMII-ZDUSSCGKSA-N 1 0 374.451 3.509 50 0 FHAARO O=C(/C=C/c1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000058357920 571131302 /nfs/dbraw/zinc/13/13/02/571131302.db2.gz OQHKWXJYBJVOKH-RMKNXTFCSA-N 1 0 355.869 3.529 50 0 FHAARO C[N@H+](CCC(=O)Nc1cc(F)ccc1F)Cc1cccc(-n2cccn2)c1 ZINC000252481339 571131390 /nfs/dbraw/zinc/13/13/90/571131390.db2.gz CJGGOHZODZNJJI-UHFFFAOYSA-N 1 0 370.403 3.611 50 0 FHAARO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058391560 571131987 /nfs/dbraw/zinc/13/19/87/571131987.db2.gz IASXRXTXRKZBFR-OAHLLOKOSA-N 1 0 364.917 3.878 50 0 FHAARO C[NH+](C)CCn1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000058440052 571133286 /nfs/dbraw/zinc/13/32/86/571133286.db2.gz CJSHGCGODZOWFG-UHFFFAOYSA-N 1 0 360.889 3.549 50 0 FHAARO CC(C)n1ccnc1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000252500140 571133412 /nfs/dbraw/zinc/13/34/12/571133412.db2.gz SNOVPDRTNXQMEM-QGZVFWFLSA-N 1 0 351.454 3.894 50 0 FHAARO [NH3+][C@H]1C[C@H](c2cc(NCc3nc4cc(Cl)ccc4[nH]3)nc(C3CC3)n2)C1 ZINC000253378433 571135554 /nfs/dbraw/zinc/13/55/54/571135554.db2.gz FFPUTKRVDQPLDF-AULYBMBSSA-N 1 0 368.872 3.701 50 0 FHAARO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl)N1CCc2ccccc2C1 ZINC000060038506 571136051 /nfs/dbraw/zinc/13/60/51/571136051.db2.gz CLTBQUDMLRFHCD-HXUWFJFHSA-N 1 0 368.908 3.932 50 0 FHAARO CC[NH+]1CCN(c2ncnc3scc(-c4ccc(OC)cc4)c32)CC1 ZINC000000948440 571136125 /nfs/dbraw/zinc/13/61/25/571136125.db2.gz DGMLIXDNZDHEEI-UHFFFAOYSA-N 1 0 354.479 3.509 50 0 FHAARO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000060093281 571136336 /nfs/dbraw/zinc/13/63/36/571136336.db2.gz AHJUFOJFAIXUOH-OAHLLOKOSA-N 1 0 374.916 3.686 50 0 FHAARO Cc1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C(C)C)s1 ZINC000072402591 571139050 /nfs/dbraw/zinc/13/90/50/571139050.db2.gz YEQUTGGJSYBRRF-UHFFFAOYSA-N 1 0 357.523 3.969 50 0 FHAARO CCOCCC[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000253611768 571139491 /nfs/dbraw/zinc/13/94/91/571139491.db2.gz YQOKLYXLXDRUTR-UHFFFAOYSA-N 1 0 368.456 3.649 50 0 FHAARO CC1CC[NH+](CC2CCN(C(=O)Nc3ccc(F)cc3F)CC2)CC1 ZINC000015866518 571139874 /nfs/dbraw/zinc/13/98/74/571139874.db2.gz UMZALISFHPOORT-UHFFFAOYSA-N 1 0 351.441 3.941 50 0 FHAARO O=C(CC[NH+]1CCCCCCC1)N(Cc1ccco1)Cc1ccccn1 ZINC000063835661 571140246 /nfs/dbraw/zinc/14/02/46/571140246.db2.gz JIDWHXOSWUWNJZ-UHFFFAOYSA-N 1 0 355.482 3.860 50 0 FHAARO Cc1cccc(NC(=O)Cc2nc(C3CC3)nn2-c2cc[nH+]cc2C)c1C ZINC000065370525 571142028 /nfs/dbraw/zinc/14/20/28/571142028.db2.gz JDUYCGWZUSFUKW-UHFFFAOYSA-N 1 0 361.449 3.646 50 0 FHAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)c1nc2c(s1)CCCC2 ZINC000065394670 571142894 /nfs/dbraw/zinc/14/28/94/571142894.db2.gz HJQPHKANOYGZLS-CQSZACIVSA-N 1 0 373.522 3.704 50 0 FHAARO COc1cccc(-c2[nH]nc3c2[C@@H](c2[nH+]c(C)n4ccccc24)CC(=O)N3)c1 ZINC000065405302 571143189 /nfs/dbraw/zinc/14/31/89/571143189.db2.gz XRTJYNCUCGAZBM-HNNXBMFYSA-N 1 0 373.416 3.516 50 0 FHAARO CSCCc1c(-c2ccccc2)ncn1CC(C)(C)[NH+]1CCOCC1 ZINC000065404383 571143220 /nfs/dbraw/zinc/14/32/20/571143220.db2.gz XUGYPFCHPCHVAG-UHFFFAOYSA-N 1 0 359.539 3.566 50 0 FHAARO COc1cccc(-c2[nH]nc3c2[C@H](c2[nH+]c(C)n4ccccc24)CC(=O)N3)c1 ZINC000065405301 571143224 /nfs/dbraw/zinc/14/32/24/571143224.db2.gz XRTJYNCUCGAZBM-OAHLLOKOSA-N 1 0 373.416 3.516 50 0 FHAARO COc1ccc(C[NH2+]Cc2ccc(NC(C)=O)cc2)cc1OC(F)F ZINC000025312936 571143788 /nfs/dbraw/zinc/14/37/88/571143788.db2.gz YHMMVQTVOQFPEQ-UHFFFAOYSA-N 1 0 350.365 3.545 50 0 FHAARO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000022024971 571145994 /nfs/dbraw/zinc/14/59/94/571145994.db2.gz QSXPFVVNUOPVTA-PKOBYXMFSA-N 1 0 355.482 3.732 50 0 FHAARO CC[C@H](NC(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccccc1OC(F)F ZINC000052526917 571146247 /nfs/dbraw/zinc/14/62/47/571146247.db2.gz WAAUDJCZRCGXOQ-HIFRSBDPSA-N 1 0 355.429 3.523 50 0 FHAARO CCCCc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C(C)(C)C)C3)[nH]1 ZINC000067515122 571146940 /nfs/dbraw/zinc/14/69/40/571146940.db2.gz AJCWBWFQKTVPDB-OAQYLSRUSA-N 1 0 360.546 3.613 50 0 FHAARO c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n(-c2ncccn2)c1 ZINC000067560121 571147404 /nfs/dbraw/zinc/14/74/04/571147404.db2.gz FBVYSMHRGPYQOF-MRXNPFEDSA-N 1 0 358.449 3.523 50 0 FHAARO C[NH+]1CCC(C)(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000067740184 571148774 /nfs/dbraw/zinc/14/87/74/571148774.db2.gz ADJHDESCGLKJHA-INIZCTEOSA-N 1 0 371.308 3.625 50 0 FHAARO Cc1cc(C)n2ncc(C[NH+]3CCC(c4cc(C(C)C)n[nH]4)CC3)c2n1 ZINC000067741118 571148839 /nfs/dbraw/zinc/14/88/39/571148839.db2.gz BRDYUSKOGIRRGZ-UHFFFAOYSA-N 1 0 352.486 3.572 50 0 FHAARO C[C@@H](C[N@@H+]1CCc2onc(-c3cccc4ccccc43)c2C1)n1cncn1 ZINC000067726916 571148947 /nfs/dbraw/zinc/14/89/47/571148947.db2.gz SVRGOOOSSFQPPN-HNNXBMFYSA-N 1 0 359.433 3.706 50 0 FHAARO C[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3cc(C4CC4)nn3C)c2)C1 ZINC000067725471 571148956 /nfs/dbraw/zinc/14/89/56/571148956.db2.gz OJXKQSVRSBULKQ-HNNXBMFYSA-N 1 0 352.482 3.782 50 0 FHAARO CN(Cc1ccccc1)C(=O)c1cc(C[N@H+](C)CCc2ccccc2)on1 ZINC000067817591 571150082 /nfs/dbraw/zinc/15/00/82/571150082.db2.gz DTSARHRNAFLSIW-UHFFFAOYSA-N 1 0 363.461 3.621 50 0 FHAARO COc1cc(O[C@@]23CC[N@H+](C2)CCC3)cc(Cl)c1CN1CCCC1 ZINC000067847061 571150393 /nfs/dbraw/zinc/15/03/93/571150393.db2.gz GLFVJOYIVWJUDA-IBGZPJMESA-N 1 0 350.890 3.562 50 0 FHAARO c1nc(-c2ccccc2)c(-c2cc3ccccc3[nH]2)n1C[C@@H]1C[NH2+]CCO1 ZINC000067850322 571150556 /nfs/dbraw/zinc/15/05/56/571150556.db2.gz MTGLVGSICZODKD-SFHVURJKSA-N 1 0 358.445 3.687 50 0 FHAARO COc1ccc(-c2nc(CN3CC[NH+](C(C)C)CC3)c(C)o2)c(OC)c1C ZINC000067871695 571150942 /nfs/dbraw/zinc/15/09/42/571150942.db2.gz SCNIDSWGGOJNSK-UHFFFAOYSA-N 1 0 373.497 3.502 50 0 FHAARO CC(C)NC(=O)CC[N@@H+]1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067934943 571152120 /nfs/dbraw/zinc/15/21/20/571152120.db2.gz OYTNNIYTULGCFB-UHFFFAOYSA-N 1 0 362.477 3.503 50 0 FHAARO Cc1cc(C)cc(N2CCC([NH2+]C[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)c1 ZINC000067934995 571152276 /nfs/dbraw/zinc/15/22/76/571152276.db2.gz BVTIYIIFIMWOOS-IBGZPJMESA-N 1 0 369.553 3.653 50 0 FHAARO CCC[C@@H](NC(=O)CN(C)CCOc1ccc(OC)cc1)c1ccccc1 ZINC000016047067 571152377 /nfs/dbraw/zinc/15/23/77/571152377.db2.gz AKQZXJKYDMQIDO-OAQYLSRUSA-N 1 0 370.493 3.663 50 0 FHAARO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](CCc2cn[nH]c2)CCO3)s1 ZINC000067973972 571152921 /nfs/dbraw/zinc/15/29/21/571152921.db2.gz KDNVURDHYDAWDR-UHFFFAOYSA-N 1 0 355.463 3.589 50 0 FHAARO CC1(C)CC(NC(=O)N2CCC(Cc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000026180695 571153439 /nfs/dbraw/zinc/15/34/39/571153439.db2.gz NWTNSYRJMARODI-UHFFFAOYSA-N 1 0 357.542 3.960 50 0 FHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CC(C)C)ccc3n2)CC1 ZINC000033084647 571154387 /nfs/dbraw/zinc/15/43/87/571154387.db2.gz GPXVMNNVLGVPGJ-UHFFFAOYSA-N 1 0 354.498 3.670 50 0 FHAARO COc1ccc(Br)cc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000075109661 571156096 /nfs/dbraw/zinc/15/60/96/571156096.db2.gz RHYGWYIIVLUOGX-NSHDSACASA-N 1 0 372.307 3.556 50 0 FHAARO C[C@H]1C[NH+](CCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000075110082 571156150 /nfs/dbraw/zinc/15/61/50/571156150.db2.gz XTLCTTFSOAVKJS-KBPBESRZSA-N 1 0 373.419 3.716 50 0 FHAARO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000075110414 571156161 /nfs/dbraw/zinc/15/61/61/571156161.db2.gz FLIAMOHAZDJUPX-LFPIHBKWSA-N 1 0 366.914 3.561 50 0 FHAARO CNC(=O)[C@H](C)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000071315210 571160644 /nfs/dbraw/zinc/16/06/44/571160644.db2.gz DFABSUQYNLLUAK-HNNXBMFYSA-N 1 0 361.445 3.501 50 0 FHAARO CC(C)[C@H]1C[N@H+](CCCn2cccn2)CCCN1Cc1ccc(F)cc1 ZINC000071479627 571162330 /nfs/dbraw/zinc/16/23/30/571162330.db2.gz PRVVPORZAMGJLB-OAQYLSRUSA-N 1 0 358.505 3.645 50 0 FHAARO CNC(=O)CC[N@@H+]1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000071712075 571163590 /nfs/dbraw/zinc/16/35/90/571163590.db2.gz DJRKDXIQMLBCAR-SFHVURJKSA-N 1 0 368.452 3.524 50 0 FHAARO COc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c(F)c1F ZINC000071764080 571165846 /nfs/dbraw/zinc/16/58/46/571165846.db2.gz FKJWPKURYLIXTQ-MRXNPFEDSA-N 1 0 366.452 3.556 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2ccc3ncsc3c2)CCC[N@@H+]1CC1CC1 ZINC000071764594 571166064 /nfs/dbraw/zinc/16/60/64/571166064.db2.gz RZAMGRHBFZKFDQ-SFHVURJKSA-N 1 0 357.523 3.879 50 0 FHAARO O=C(CCC[N@H+]1CC[C@H](OC(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000071769290 571166278 /nfs/dbraw/zinc/16/62/78/571166278.db2.gz QFHRZOFCJAYEQU-IBGZPJMESA-N 1 0 352.434 3.973 50 0 FHAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1 ZINC000063865784 571166782 /nfs/dbraw/zinc/16/67/82/571166782.db2.gz GYYSPRZXQXSYQU-MRXNPFEDSA-N 1 0 363.461 3.957 50 0 FHAARO O[C@H](C[NH2+]C1CCCCCCC1)COCCOc1ccc(Cl)cc1 ZINC000005867436 571167173 /nfs/dbraw/zinc/16/71/73/571167173.db2.gz ZFAFCMYAUPCOHU-GOSISDBHSA-N 1 0 355.906 3.799 50 0 FHAARO O=C(c1cccc2ccccc21)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575615970 571169257 /nfs/dbraw/zinc/16/92/57/571169257.db2.gz KGQDLLDQUJRAKZ-UHFFFAOYSA-N 1 0 354.519 3.883 50 0 FHAARO COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc3c(c1)OCO3)=[N+]2C ZINC000003905685 571172314 /nfs/dbraw/zinc/17/23/14/571172314.db2.gz ROLPNJRWJHUFGB-UXBLZVDNSA-N 1 0 364.421 3.921 50 0 FHAARO c1[nH]c2ccccc2c1CCNc1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000072147389 571173698 /nfs/dbraw/zinc/17/36/98/571173698.db2.gz UFUVOHYPKHUFBD-UHFFFAOYSA-N 1 0 369.472 3.925 50 0 FHAARO c1ccc([C@H]2CN(c3cnc4ccccc4n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072146517 571173720 /nfs/dbraw/zinc/17/37/20/571173720.db2.gz HYZZXFDUXLKFGB-SXSPYAJSSA-N 1 0 356.473 3.696 50 0 FHAARO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCCn3nc(CN4CC[C@H](F)C4)cc3C1)=CC2 ZINC000072154275 571174671 /nfs/dbraw/zinc/17/46/71/571174671.db2.gz BWDOIYXCJYBONW-WFXMLNOXSA-N 1 0 372.532 3.625 50 0 FHAARO COc1nc2ccccc2cc1C[NH+]1CCC(OCc2cccnc2)CC1 ZINC000072153759 571174773 /nfs/dbraw/zinc/17/47/73/571174773.db2.gz QJCXKCSQHBAVEG-UHFFFAOYSA-N 1 0 363.461 3.820 50 0 FHAARO COc1cccc(OC[C@H]2CCC[N@H+](Cc3cnn(C)c3C3CC3)C2)c1 ZINC000072154239 571174829 /nfs/dbraw/zinc/17/48/29/571174829.db2.gz XWQCUSHWXXVIOC-INIZCTEOSA-N 1 0 355.482 3.597 50 0 FHAARO Cc1cccnc1C[N@@H+]1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072157013 571174951 /nfs/dbraw/zinc/17/49/51/571174951.db2.gz UMPCMIJOUNSPKN-KSEOMHKRSA-N 1 0 369.459 3.730 50 0 FHAARO COc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072165432 571176362 /nfs/dbraw/zinc/17/63/62/571176362.db2.gz XKSYHKJRAFLJIT-CQSZACIVSA-N 1 0 358.869 3.698 50 0 FHAARO Cc1ccccc1C[NH+]1CCN(Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000072165520 571176620 /nfs/dbraw/zinc/17/66/20/571176620.db2.gz JOMFUULDNZEUST-UHFFFAOYSA-N 1 0 360.505 3.558 50 0 FHAARO Cc1nc(C2CC[NH+](Cc3c[nH]nc3C3CCCCC3)CC2)cc(=O)[nH]1 ZINC000072168318 571177055 /nfs/dbraw/zinc/17/70/55/571177055.db2.gz XZIDFBDWTVHVOR-UHFFFAOYSA-N 1 0 355.486 3.641 50 0 FHAARO O=C([O-])c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000147144800 571179240 /nfs/dbraw/zinc/17/92/40/571179240.db2.gz LRULVYSBRWUVGR-FCHUYYIVSA-N 1 0 364.489 3.743 50 0 in-vitro FHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000013003985 571187761 /nfs/dbraw/zinc/18/77/61/571187761.db2.gz YWZMSBJISUUFLK-LJQANCHMSA-N 1 0 355.434 3.828 50 0 FHAARO CN1C[C@@]2(CCC[N@H+](Cc3ccc(Oc4ccccc4)cc3)C2)OC1=O ZINC000072410390 571191656 /nfs/dbraw/zinc/19/16/56/571191656.db2.gz CAMRPEKAEZLFOM-OAQYLSRUSA-N 1 0 352.434 3.896 50 0 FHAARO CCCn1cc(-c2ccncc2)cc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000075509134 571191778 /nfs/dbraw/zinc/19/17/78/571191778.db2.gz SZMOCEPERXTMFY-KRWDZBQOSA-N 1 0 354.498 3.564 50 0 FHAARO O=C1C[C@@H](C[NH+]2CCC(c3cccc(O)c3)CC2)CN1c1ccccc1 ZINC000299758049 571192471 /nfs/dbraw/zinc/19/24/71/571192471.db2.gz LADGWXWPYMHZGH-KRWDZBQOSA-N 1 0 350.462 3.625 50 0 FHAARO Cc1nc(C)c(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)s1 ZINC000299758249 571192794 /nfs/dbraw/zinc/19/27/94/571192794.db2.gz NNWKLOMJHAIEIF-KSZLIROESA-N 1 0 355.507 3.602 50 0 FHAARO C[C@H](Nc1nc(-c2ccccc2)nc2c1CC[N@H+](C)CC2)c1cccnc1 ZINC000072423329 571193474 /nfs/dbraw/zinc/19/34/74/571193474.db2.gz IHINSSYPBDRLLC-INIZCTEOSA-N 1 0 359.477 3.742 50 0 FHAARO CCN1CC2(CC[NH+](Cc3ccc([C@H]4CCCCO4)s3)CC2)OC1=O ZINC000072428633 571195121 /nfs/dbraw/zinc/19/51/21/571195121.db2.gz ZWLIPABOIFVSAI-MRXNPFEDSA-N 1 0 364.511 3.796 50 0 FHAARO CNc1nc(N[C@@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)ncc1F ZINC000072429966 571195444 /nfs/dbraw/zinc/19/54/44/571195444.db2.gz XAFBDKNLHIVGKA-GOSISDBHSA-N 1 0 371.504 3.932 50 0 FHAARO Cc1[nH+]c(CN2CCC([C@H](O)CCc3ccccc3)CC2)c2ccccn12 ZINC000072433069 571196056 /nfs/dbraw/zinc/19/60/56/571196056.db2.gz VARRULJIESQCMZ-HSZRJFAPSA-N 1 0 363.505 3.848 50 0 FHAARO Cc1ccc(C)c(CC(=O)NC[C@H](c2ccccc2F)[NH+]2CCCC2)c1 ZINC000299773887 571196413 /nfs/dbraw/zinc/19/64/13/571196413.db2.gz GRRMELROWAWPMW-OAQYLSRUSA-N 1 0 354.469 3.938 50 0 FHAARO CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000072457960 571197722 /nfs/dbraw/zinc/19/77/22/571197722.db2.gz YZKMBJOQTSLGKE-UHFFFAOYSA-N 1 0 365.433 3.803 50 0 FHAARO CC(C)c1nccc(C[NH+]2CCC([C@H](O)CCc3ccccc3)CC2)n1 ZINC000072469763 571198253 /nfs/dbraw/zinc/19/82/53/571198253.db2.gz JNNAYLSMKTWMOF-OAQYLSRUSA-N 1 0 353.510 3.806 50 0 FHAARO C[C@H](c1ccc(C(=O)N2CCC(c3ccncn3)CC2)o1)[NH+]1CCCCC1 ZINC000299783983 571198970 /nfs/dbraw/zinc/19/89/70/571198970.db2.gz RQCQNXGOVQYAAP-MRXNPFEDSA-N 1 0 368.481 3.636 50 0 FHAARO CSc1ncc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)cn1 ZINC000299785561 571199127 /nfs/dbraw/zinc/19/91/27/571199127.db2.gz VAAXHXZWDFDJKE-GOSISDBHSA-N 1 0 370.522 3.546 50 0 FHAARO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4ccccc4o2)CC3)co1 ZINC000072480724 571199896 /nfs/dbraw/zinc/19/98/96/571199896.db2.gz OYBQLUYAQMVHJH-UHFFFAOYSA-N 1 0 352.438 3.759 50 0 FHAARO O=C(NCCOc1ccccc1F)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299793397 571201613 /nfs/dbraw/zinc/20/16/13/571201613.db2.gz HFELWLNWGLPJQB-SXLOBPIMSA-N 1 0 368.452 3.546 50 0 FHAARO O=C(NCCCOC1CCCC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299795103 571201850 /nfs/dbraw/zinc/20/18/50/571201850.db2.gz MFEBDAFZVQCMEJ-HBMCJLEFSA-N 1 0 356.510 3.678 50 0 FHAARO C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(COc3ccccc3)cc1)CC2 ZINC000299795078 571201857 /nfs/dbraw/zinc/20/18/57/571201857.db2.gz LEQSRVJJQMTGRR-UHFFFAOYSA-N 1 0 364.489 3.824 50 0 FHAARO Cc1nc2cc(NC(=O)N3CCC[N@@H+](C4CCCCC4)CC3)ccc2[nH]1 ZINC000299799390 571202928 /nfs/dbraw/zinc/20/29/28/571202928.db2.gz GFHBCTXBEAWLHH-UHFFFAOYSA-N 1 0 355.486 3.744 50 0 FHAARO CN(Cc1ccccc1C[NH+](C)C)C(=O)NCCCc1ccccc1F ZINC000534590670 571205640 /nfs/dbraw/zinc/20/56/40/571205640.db2.gz ZDWRLCDMNPNVOB-UHFFFAOYSA-N 1 0 357.473 3.662 50 0 FHAARO C[C@@H]1C[C@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000064448002 571206801 /nfs/dbraw/zinc/20/68/01/571206801.db2.gz IMIWIKCSHURIDQ-CXAGYDPISA-N 1 0 354.416 3.784 50 0 FHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(-c3c(C)[nH]nc3C3CC3)c2)C1 ZINC000534634905 571206911 /nfs/dbraw/zinc/20/69/11/571206911.db2.gz ZQRDJQZOKNHTPA-IBGZPJMESA-N 1 0 366.509 3.819 50 0 FHAARO C[C@@H](C1CCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)CC1)[NH+](C)C ZINC000077319515 571207169 /nfs/dbraw/zinc/20/71/69/571207169.db2.gz ANLPDEXEHPOBHQ-INIZCTEOSA-N 1 0 352.478 3.862 50 0 FHAARO CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn(C)c3cccc(Cl)c32)cc1 ZINC000534666312 571208386 /nfs/dbraw/zinc/20/83/86/571208386.db2.gz TUKINALPAZVXPQ-UHFFFAOYSA-N 1 0 370.884 3.527 50 0 FHAARO Cc1nc(-c2ccc(-c3ccc(C(=O)N4CC[NH2+]CC4)cc3)s2)cs1 ZINC000534661966 571208957 /nfs/dbraw/zinc/20/89/57/571208957.db2.gz RENGRAVULULMOO-UHFFFAOYSA-N 1 0 369.515 3.892 50 0 FHAARO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)o1 ZINC000077375227 571209321 /nfs/dbraw/zinc/20/93/21/571209321.db2.gz GFEPOBHEIPGRCP-KRWDZBQOSA-N 1 0 364.449 3.829 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)CCc2cccnc2)cc1 ZINC000077407476 571210586 /nfs/dbraw/zinc/21/05/86/571210586.db2.gz FYOHPJPTFWIYCV-OAQYLSRUSA-N 1 0 351.494 3.830 50 0 FHAARO Cc1cc(N2CCC[N@H+](Cc3cccnc3)CC2)nc(-c2ccccc2)n1 ZINC000077440095 571211774 /nfs/dbraw/zinc/21/17/74/571211774.db2.gz UAQJDDKPBTYFFJ-UHFFFAOYSA-N 1 0 359.477 3.559 50 0 FHAARO Cc1ncc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000077471646 571212852 /nfs/dbraw/zinc/21/28/52/571212852.db2.gz GNBZTUXYSMFFKM-FQEVSTJZSA-N 1 0 352.482 3.522 50 0 FHAARO CN(C(=O)c1ccc(-c2cccc(C(F)(F)F)n2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000426360458 571215307 /nfs/dbraw/zinc/21/53/07/571215307.db2.gz SIABLKGHNUOEJS-OAHLLOKOSA-N 1 0 363.383 3.544 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1)c1cccs1 ZINC000023105567 571215785 /nfs/dbraw/zinc/21/57/85/571215785.db2.gz SHNVTXXZLWZNPB-ZDUSSCGKSA-N 1 0 353.285 3.543 50 0 FHAARO COc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)c(F)c1 ZINC000426372148 571216588 /nfs/dbraw/zinc/21/65/88/571216588.db2.gz BLWRTWRNFZEWMC-SESVDKBCSA-N 1 0 363.473 3.773 50 0 FHAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000023128070 571217418 /nfs/dbraw/zinc/21/74/18/571217418.db2.gz OACNZOLPMPHBQE-UHFFFAOYSA-N 1 0 350.434 3.668 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cccc(OCc4ccccc4)c3)[C@H]1C[C@H](O)CC2 ZINC000426401835 571220533 /nfs/dbraw/zinc/22/05/33/571220533.db2.gz KTBNSIICKCRZLE-AKIFATBCSA-N 1 0 367.489 3.770 50 0 FHAARO O=C1Nc2ccccc2NC12CC[NH+](CCc1c[nH]c3ccccc13)CC2 ZINC000082127801 571228803 /nfs/dbraw/zinc/22/88/03/571228803.db2.gz SMSGRZHDKIQNKU-UHFFFAOYSA-N 1 0 360.461 3.609 50 0 FHAARO Fc1ccc(-c2csc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)n2)cc1 ZINC000082137633 571229023 /nfs/dbraw/zinc/22/90/23/571229023.db2.gz WGIVZQYNRSVAAT-MRXNPFEDSA-N 1 0 362.470 3.767 50 0 FHAARO CO[C@]12CC[N@H+](Cc3ccc(F)cc3F)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426518882 571229885 /nfs/dbraw/zinc/22/98/85/571229885.db2.gz ZRZMNTDDHXTDCZ-SLYNCCJLSA-N 1 0 374.431 3.951 50 0 FHAARO COc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)cc1 ZINC000426623164 571233536 /nfs/dbraw/zinc/23/35/36/571233536.db2.gz DUVLNFXKMKNECA-JAXLGGSGSA-N 1 0 368.477 3.681 50 0 FHAARO CSc1cccc(CNC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC000426642868 571234000 /nfs/dbraw/zinc/23/40/00/571234000.db2.gz HBRASRWZTGMTAH-UHFFFAOYSA-N 1 0 370.522 3.534 50 0 FHAARO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000011351808 571235034 /nfs/dbraw/zinc/23/50/34/571235034.db2.gz VDDOGRFRPDQAPE-UHFFFAOYSA-N 1 0 367.401 3.558 50 0 FHAARO CCCCc1nc(Cl)c(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)[nH]1 ZINC000426701361 571235647 /nfs/dbraw/zinc/23/56/47/571235647.db2.gz FYNQEEJKIXHLAC-QIIPPGSGSA-N 1 0 355.910 3.564 50 0 FHAARO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@H+](C)C1CCN(C)CC1 ZINC000008717503 571236341 /nfs/dbraw/zinc/23/63/41/571236341.db2.gz WJZXOFIMXHEZQI-UHFFFAOYSA-N 1 0 371.525 3.810 50 0 FHAARO Cc1cccn2cc(COc3ccc(C(=O)Nc4ncccc4O)cc3)nc12 ZINC000023240304 571236420 /nfs/dbraw/zinc/23/64/20/571236420.db2.gz JIDRDFRNSJNEEE-UHFFFAOYSA-N 1 0 374.400 3.575 50 0 FHAARO CC(C)c1nnc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)o1 ZINC000091254524 571238574 /nfs/dbraw/zinc/23/85/74/571238574.db2.gz WGQBMMZDKBNKAR-LJQANCHMSA-N 1 0 368.525 3.895 50 0 FHAARO CC[C@H](C)Oc1c(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)cccc1OC ZINC000091350579 571239290 /nfs/dbraw/zinc/23/92/90/571239290.db2.gz UJTHVGJZEZOOHU-KRWDZBQOSA-N 1 0 374.525 3.707 50 0 FHAARO C[C@@]1(c2ccccc2)CCC[N@@H+](C2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000091469001 571240061 /nfs/dbraw/zinc/24/00/61/571240061.db2.gz OPHAYZHTMFWLTF-HSZRJFAPSA-N 1 0 363.505 3.740 50 0 FHAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3noc(C4CC4)n3)CC2)C1 ZINC000091518810 571240331 /nfs/dbraw/zinc/24/03/31/571240331.db2.gz VNFDJYFTINRQPV-IBGZPJMESA-N 1 0 366.509 3.649 50 0 FHAARO CCN1CC2(CC[NH+](Cc3ccncc3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091551031 571240527 /nfs/dbraw/zinc/24/05/27/571240527.db2.gz QYVGOLRAZPGKGO-NRFANRHFSA-N 1 0 363.505 3.700 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)C2CCCCC2)C3)cc1 ZINC000091548703 571240536 /nfs/dbraw/zinc/24/05/36/571240536.db2.gz GZJICYMZOMOOBB-AZUAARDMSA-N 1 0 356.510 3.698 50 0 FHAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3nnc(C4CC4)o3)CC2)C1 ZINC000091657119 571242026 /nfs/dbraw/zinc/24/20/26/571242026.db2.gz MYZPCXNOHCSCKP-LJQANCHMSA-N 1 0 366.509 3.649 50 0 FHAARO COc1cc(Cl)c(CN2C[C@H]3CC[C@@H]2C[N@H+](C)C3)c(Cl)c1OC ZINC000091736792 571243032 /nfs/dbraw/zinc/24/30/32/571243032.db2.gz PDFGVZSFTGHMET-NWDGAFQWSA-N 1 0 359.297 3.537 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cc(C)on3)CC2)C1 ZINC000091745504 571243132 /nfs/dbraw/zinc/24/31/32/571243132.db2.gz WXWJYDUOARUNNL-LJQANCHMSA-N 1 0 367.493 3.715 50 0 FHAARO Cc1cccc2c1cc(C(=O)N1C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C1)n2C ZINC000091746174 571243445 /nfs/dbraw/zinc/24/34/45/571243445.db2.gz HXISMRYWFQTKBX-RTBURBONSA-N 1 0 365.521 3.823 50 0 FHAARO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000036489971 571256281 /nfs/dbraw/zinc/25/62/81/571256281.db2.gz JWDGLKJAHHKIRI-QRWLVFNGSA-N 1 0 356.441 3.849 50 0 FHAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCc1cc2cc(C)ccc2[nH]c1=O ZINC000065245486 571257523 /nfs/dbraw/zinc/25/75/23/571257523.db2.gz YUHJNFUSXXIYML-IBGZPJMESA-N 1 0 369.509 3.562 50 0 FHAARO O=C(Nc1ccc(F)cc1)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255108 571257666 /nfs/dbraw/zinc/25/76/66/571257666.db2.gz XHWRDTFWTYRTEA-UHFFFAOYSA-N 1 0 352.413 3.524 50 0 FHAARO O=C(C[C@H](c1ccsc1)n1cccc1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731420 571258630 /nfs/dbraw/zinc/25/86/30/571258630.db2.gz XGRSIXZOTWQRMI-DFQSSKMNSA-N 1 0 371.550 3.910 50 0 FHAARO CCCCc1ccc(C(=O)CCC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000065585901 571265057 /nfs/dbraw/zinc/26/50/57/571265057.db2.gz UHJGSIFNXMEAMY-FQEVSTJZSA-N 1 0 356.510 3.689 50 0 FHAARO O=C(CCCOc1cccc(Cl)c1Cl)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065610485 571265355 /nfs/dbraw/zinc/26/53/55/571265355.db2.gz GJBZEENPRILFRO-CQSZACIVSA-N 1 0 371.308 3.849 50 0 FHAARO CCCN(CCC[NH+](C)C)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000170604980 571267118 /nfs/dbraw/zinc/26/71/18/571267118.db2.gz LMIHKTVRKHSPCM-UHFFFAOYSA-N 1 0 367.419 3.726 50 0 FHAARO C[N@H+](CCc1ccc(F)cc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000170623423 571269156 /nfs/dbraw/zinc/26/91/56/571269156.db2.gz KXGVCLIVLPWCJO-QGZVFWFLSA-N 1 0 350.478 3.947 50 0 FHAARO Fc1ccc(Oc2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)cc1 ZINC000037342175 571272213 /nfs/dbraw/zinc/27/22/13/571272213.db2.gz AEKAFXUYRONXRB-UHFFFAOYSA-N 1 0 364.424 3.730 50 0 FHAARO Cc1ccc(Oc2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)cc1 ZINC000037342174 571272227 /nfs/dbraw/zinc/27/22/27/571272227.db2.gz VRZWDNJNPMGAOF-UHFFFAOYSA-N 1 0 360.461 3.900 50 0 FHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000089977174 571274571 /nfs/dbraw/zinc/27/45/71/571274571.db2.gz WRXZJVQSVRWRSR-UKRRQHHQSA-N 1 0 373.419 3.822 50 0 FHAARO O[C@H](C[NH2+]Cc1ccc(F)cc1F)COc1ccc(C(F)(F)F)cc1 ZINC000238138935 571277416 /nfs/dbraw/zinc/27/74/16/571277416.db2.gz XQBPEKOWCXZZSH-CQSZACIVSA-N 1 0 361.310 3.513 50 0 FHAARO CCN(C)c1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)cn1 ZINC000252502419 571281299 /nfs/dbraw/zinc/28/12/99/571281299.db2.gz UQDPXZHFYBIWQX-UHFFFAOYSA-N 1 0 366.509 3.956 50 0 FHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1c[nH]c2ccccc12 ZINC000253407033 571312354 /nfs/dbraw/zinc/31/23/54/571312354.db2.gz JMALIRCBZKKCDA-GHTZIAJQSA-N 1 0 353.510 3.823 50 0 FHAARO Cc1ccc([C@@H](Cn2cnc3cccnc3c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000584896839 571315509 /nfs/dbraw/zinc/31/55/09/571315509.db2.gz KOVBCFFEQZHPAT-HXUWFJFHSA-N 1 0 362.477 3.573 50 0 FHAARO C[N@@H+]1CCC[C@H]1CCn1cnc2cc(-c3ccc(F)cc3)sc2c1=O ZINC000584898068 571315796 /nfs/dbraw/zinc/31/57/96/571315796.db2.gz WYHJIRCYQULOAB-HNNXBMFYSA-N 1 0 357.454 3.748 50 0 FHAARO C[NH+](C)Cc1cc(CNC(=O)c2ccc(Br)cc2)ccc1F ZINC000078735144 571324719 /nfs/dbraw/zinc/32/47/19/571324719.db2.gz BFHCGTSKEUXNAG-UHFFFAOYSA-N 1 0 365.246 3.580 50 0 FHAARO O=C(Nc1ccncc1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000079107171 571327024 /nfs/dbraw/zinc/32/70/24/571327024.db2.gz HCHPUABDWQWYPG-UHFFFAOYSA-N 1 0 358.873 3.865 50 0 FHAARO CCC[N@H+](Cc1cccnc1OC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000079105583 571327027 /nfs/dbraw/zinc/32/70/27/571327027.db2.gz AFVMQXRPEYVZIP-UHFFFAOYSA-N 1 0 367.493 3.607 50 0 FHAARO Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)[NH+]1CCC(C(N)=O)CC1 ZINC000019864058 571327509 /nfs/dbraw/zinc/32/75/09/571327509.db2.gz XNKLPDHFLDOPGJ-LJQANCHMSA-N 1 0 353.491 3.825 50 0 FHAARO Cc1ccc2c(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)oc2c1C ZINC000020412434 571329302 /nfs/dbraw/zinc/32/93/02/571329302.db2.gz PZYPIHZOVTVBPU-UHFFFAOYSA-N 1 0 362.473 3.728 50 0 FHAARO CCC[NH+](CCC)CCNC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000020485032 571329824 /nfs/dbraw/zinc/32/98/24/571329824.db2.gz FVZXROFWNRVFAZ-UHFFFAOYSA-N 1 0 372.538 3.545 50 0 FHAARO C[NH+]1CCC(C)(CNC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000095468523 571330577 /nfs/dbraw/zinc/33/05/77/571330577.db2.gz CGJSSJLBFXPVRE-UHFFFAOYSA-N 1 0 359.695 3.564 50 0 FHAARO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]Cc1ccccn1)c1ccccc1 ZINC000002645869 571339986 /nfs/dbraw/zinc/33/99/86/571339986.db2.gz HXOHACQGXBNOGX-JTHBVZDNSA-N 1 0 362.473 3.647 50 0 FHAARO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@@H](C)O1 ZINC000028842724 571341180 /nfs/dbraw/zinc/34/11/80/571341180.db2.gz UWAQHWLRNFRIIM-IAGOWNOFSA-N 1 0 354.450 3.917 50 0 FHAARO CC1CCC2(CC1)NC(=O)N(C[N@H+](C)CC13CC4CC(CC(C4)C1)C3)C2=O ZINC000057358950 571342701 /nfs/dbraw/zinc/34/27/01/571342701.db2.gz ADSMDMSIAJFHPA-UHFFFAOYSA-N 1 0 373.541 3.593 50 0 FHAARO CC[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000029909069 571344154 /nfs/dbraw/zinc/34/41/54/571344154.db2.gz SZGZAAKRJRXDIO-FQEVSTJZSA-N 1 0 361.489 3.664 50 0 FHAARO CCc1cccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)c1 ZINC000003049881 571344160 /nfs/dbraw/zinc/34/41/60/571344160.db2.gz DORMLFPPDLYBDV-INIZCTEOSA-N 1 0 356.539 3.966 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(COC)c1)Cc1ccccc1 ZINC000029918214 571344220 /nfs/dbraw/zinc/34/42/20/571344220.db2.gz XXCKLTWSHZOTNG-OAQYLSRUSA-N 1 0 354.494 3.516 50 0 FHAARO COc1ccc(C)cc1CN(C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000057547653 571344487 /nfs/dbraw/zinc/34/44/87/571344487.db2.gz COLLDKCKVMOWGU-FQEVSTJZSA-N 1 0 356.441 3.594 50 0 FHAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000058157195 571348852 /nfs/dbraw/zinc/34/88/52/571348852.db2.gz PNHXEQNWUYLJTP-UHFFFAOYSA-N 1 0 374.488 3.707 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)CCOc2ccc(C)c(C)c2)[NH+](C)C)cc1 ZINC000058159880 571348883 /nfs/dbraw/zinc/34/88/83/571348883.db2.gz YYFAIFQQEKHYFQ-OAQYLSRUSA-N 1 0 354.494 3.800 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000670468133 571359044 /nfs/dbraw/zinc/35/90/44/571359044.db2.gz PWSFOLVFRWEIFN-MRXNPFEDSA-N 1 0 354.498 3.716 50 0 FHAARO CCc1nc(-c2cccc(NC(=O)c3ccc([C@H]4CCC[NH2+]4)s3)c2)n[nH]1 ZINC000023192571 937122282 /nfs/dbraw/zinc/12/22/82/937122282.db2.gz AHDKQEUKYRIXDY-CQSZACIVSA-N 1 0 367.478 3.772 50 0 FHAARO COc1cc2c3c(c1)C(C[NH+]1[C@H](C)CCC[C@H]1C)=CC(C)(C)N3C(=O)C2=O ZINC000334161000 931635057 /nfs/dbraw/zinc/63/50/57/931635057.db2.gz QNFSDGPQNCDUBR-ZIAGYGMSSA-N 1 0 368.477 3.663 50 0 FHAARO C[C@@](O)(C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)C1CCCCC1 ZINC000188665851 932032997 /nfs/dbraw/zinc/03/29/97/932032997.db2.gz UTXAQUNXBZTUHD-PDRFFQIWSA-N 1 0 356.510 3.740 50 0 FHAARO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCC[N@H+](CCO)C1 ZINC000299763271 945129919 /nfs/dbraw/zinc/12/99/19/945129919.db2.gz YPXWBWMZBOHWLK-IBGZPJMESA-N 1 0 374.488 3.686 50 0 FHAARO CCCCOc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000002907802 935964282 /nfs/dbraw/zinc/96/42/82/935964282.db2.gz NLYFPVGADCKJBX-MOPGFXCFSA-N 1 0 352.478 3.647 50 0 FHAARO CC(C)c1ncsc1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000332243938 945159693 /nfs/dbraw/zinc/15/96/93/945159693.db2.gz ADLKRVWVPHZRDM-CQSZACIVSA-N 1 0 358.511 3.617 50 0 FHAARO Cc1cccc(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000124760255 945326027 /nfs/dbraw/zinc/32/60/27/945326027.db2.gz UFHDCQIFILZPFA-HOTGVXAUSA-N 1 0 352.482 3.668 50 0 FHAARO Cc1cnc([C@H]2CCN(C(=O)C3CCCC3)C2)n1Cc1ccc(F)cc1 ZINC000581816237 940621226 /nfs/dbraw/zinc/62/12/26/940621226.db2.gz PDRVHYJUUKAVOG-SFHVURJKSA-N 1 0 355.457 3.885 50 0 FHAARO COc1ccc2c(c1)CCC[C@H]2CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000167089883 940665922 /nfs/dbraw/zinc/66/59/22/940665922.db2.gz VKYQRUHRTRFARY-SFHVURJKSA-N 1 0 373.541 3.535 50 0 FHAARO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc3c(s2)CCCCC3)CC1 ZINC000019744431 941845451 /nfs/dbraw/zinc/84/54/51/941845451.db2.gz JPISGVSHFSFVJA-LJQANCHMSA-N 1 0 359.539 3.696 50 0 FHAARO COC1CC[NH+](C[C@H]2CCCCCN2C(=O)CCCc2ccccc2)CC1 ZINC000257194806 942688545 /nfs/dbraw/zinc/68/85/45/942688545.db2.gz USDMJGPJUOHYFX-OAQYLSRUSA-N 1 0 372.553 3.891 50 0 FHAARO O=C(c1ccoc1)N1CCC(Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000257195986 942699327 /nfs/dbraw/zinc/69/93/27/942699327.db2.gz XHQIMZOLXZTXAA-UHFFFAOYSA-N 1 0 352.478 3.970 50 0 FHAARO CCn1cc(C[N@@H+]2CCC[C@H]2CCc2noc(-c3ccccc3)n2)cn1 ZINC000675019444 943628528 /nfs/dbraw/zinc/62/85/28/943628528.db2.gz GQISWPMMWMOVAG-SFHVURJKSA-N 1 0 351.454 3.550 50 0 FHAARO CC(C)(C)c1cnc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000331783698 944642267 /nfs/dbraw/zinc/64/22/67/944642267.db2.gz FAYKUJOQKHQIEF-UHFFFAOYSA-N 1 0 373.526 3.622 50 0 FHAARO Cc1noc(C)c1CC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000107321389 945555322 /nfs/dbraw/zinc/55/53/22/945555322.db2.gz IQFWVVIOIPHYHI-UHFFFAOYSA-N 1 0 363.255 3.662 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccccc2Cl)CC1 ZINC000045463493 946050723 /nfs/dbraw/zinc/05/07/23/946050723.db2.gz HMNFCEUMSMUOBC-OAHLLOKOSA-N 1 0 351.922 3.691 50 0 FHAARO CC[C@H](C)Oc1ccc(C[NH2+]CCCc2nnc(N)s2)cc1Cl ZINC000199494009 946745374 /nfs/dbraw/zinc/74/53/74/946745374.db2.gz JKVOFKIBWRZUSB-NSHDSACASA-N 1 0 354.907 3.673 50 0 FHAARO COc1ccccc1OCCCC[NH+]1CCN(c2ccccc2OC)CC1 ZINC000004845214 947275758 /nfs/dbraw/zinc/27/57/58/947275758.db2.gz VQSUVBKRLYSTOA-UHFFFAOYSA-N 1 0 370.493 3.685 50 0 FHAARO Cc1csc2nc(C)nc(N3CC[C@@H](CNc4cccc(C)[nH+]4)C3)c12 ZINC000133279084 948114572 /nfs/dbraw/zinc/11/45/72/948114572.db2.gz IIXBBHLHKRVXPK-HNNXBMFYSA-N 1 0 353.495 3.950 50 0 FHAARO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000888099976 948443181 /nfs/dbraw/zinc/44/31/81/948443181.db2.gz MEYLISHTMJPDFH-KGLIPLIRSA-N 1 0 357.420 3.798 50 0 FHAARO Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000252509330 209936685 /nfs/dbraw/zinc/93/66/85/209936685.db2.gz YLGUETKSLDPZMH-KRWDZBQOSA-N 1 0 369.513 3.654 50 0 FHAARO CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccc(NC(C)=O)cc2)cc1 ZINC000240786055 209894832 /nfs/dbraw/zinc/89/48/32/209894832.db2.gz HZWLUTBWONOCKW-UHFFFAOYSA-N 1 0 353.466 3.668 50 0 FHAARO C[N@H+](C[C@H]1CC1(c1ccccc1)c1ccccc1)CC1(CO)CCOCC1 ZINC000216237292 209649309 /nfs/dbraw/zinc/64/93/09/209649309.db2.gz WONDKWDMRDCCCW-JOCHJYFZSA-N 1 0 365.517 3.714 50 0 FHAARO O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171549497 209555387 /nfs/dbraw/zinc/55/53/87/209555387.db2.gz BJYUHXVFDGQBQN-ZDUSSCGKSA-N 1 0 359.367 3.937 50 0 FHAARO CCCCOc1ccccc1OCCC[NH+]1CCC(C(=O)OCC)CC1 ZINC000006703966 209454824 /nfs/dbraw/zinc/45/48/24/209454824.db2.gz BNFSXYCONKVLGC-UHFFFAOYSA-N 1 0 363.498 3.910 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3C(C)(C)O)cs2)cc1OC ZINC000118981514 209349949 /nfs/dbraw/zinc/34/99/49/209349949.db2.gz CFKPJAPZHCWLAO-QGZVFWFLSA-N 1 0 362.495 3.563 50 0 FHAARO COc1cc(Cl)cc(C[NH2+]CCOc2ccccn2)c1OC(C)C ZINC000113395605 209336420 /nfs/dbraw/zinc/33/64/20/209336420.db2.gz HBPUBKBYIONWFW-UHFFFAOYSA-N 1 0 350.846 3.699 50 0 FHAARO CCOc1ccc(Br)cc1C[NH2+]CCCOc1ccccn1 ZINC000113397376 209335912 /nfs/dbraw/zinc/33/59/12/209335912.db2.gz HMNNTUJZVCZLEQ-UHFFFAOYSA-N 1 0 365.271 3.802 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000102732970 209240419 /nfs/dbraw/zinc/24/04/19/209240419.db2.gz PICVJRZEIJBKCI-OAHLLOKOSA-N 1 0 368.506 3.856 50 0 FHAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2ccc3ncsc3c2)C1 ZINC000102540821 209238067 /nfs/dbraw/zinc/23/80/67/209238067.db2.gz NDHDVPBHAAWSCP-KRWDZBQOSA-N 1 0 365.502 3.824 50 0 FHAARO Cc1ccc(-n2ncc(C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)c2C(C)C)cc1 ZINC000236866752 209230345 /nfs/dbraw/zinc/23/03/45/209230345.db2.gz XVGDFLVYMFHDGI-SJORKVTESA-N 1 0 354.498 3.504 50 0 FHAARO C/C=C\c1ccc(OC[C@@H](O)C[N@H+](C)Cc2sccc2C)c(OC)c1 ZINC000098053918 209203320 /nfs/dbraw/zinc/20/33/20/209203320.db2.gz DHSBVPREELRXGV-OSJSJHBBSA-N 1 0 361.507 3.970 50 0 FHAARO Cc1ccc(-c2cccc(C(=O)N3CC[NH+](C4CCSCC4)CC3)c2)o1 ZINC000097797267 209196086 /nfs/dbraw/zinc/19/60/86/209196086.db2.gz PRJVAWSUAIGRFZ-UHFFFAOYSA-N 1 0 370.518 3.908 50 0 FHAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000097716996 209192513 /nfs/dbraw/zinc/19/25/13/209192513.db2.gz MBQMSWWDRKSIQH-FQEVSTJZSA-N 1 0 363.505 3.625 50 0 FHAARO O=C(C[C@@H]1CCc2ccccc21)NC1CC[NH+](C2CCSCC2)CC1 ZINC000097528027 209184275 /nfs/dbraw/zinc/18/42/75/209184275.db2.gz PTHZAHGGQUFAPJ-KRWDZBQOSA-N 1 0 358.551 3.583 50 0 FHAARO CC(=O)c1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000097101792 209171706 /nfs/dbraw/zinc/17/17/06/209171706.db2.gz RKPWHHGVRPHBTC-UHFFFAOYSA-N 1 0 351.450 3.525 50 0 FHAARO CCS[C@@H]1CC[C@@]1(O)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000097017207 209167281 /nfs/dbraw/zinc/16/72/81/209167281.db2.gz NPWMIPFEYQTNMD-BZUAXINKSA-N 1 0 374.319 3.812 50 0 FHAARO COc1ccc(C[NH+]2CCC(N(C(C)=O)c3ccccc3)CC2)c(OC)c1 ZINC000096281060 209148099 /nfs/dbraw/zinc/14/80/99/209148099.db2.gz NTNOBEUXNKRDFQ-UHFFFAOYSA-N 1 0 368.477 3.721 50 0 FHAARO COc1ccc([C@H]2Sc3ccccc3N(CC[NH+](C)C)C(=O)[C@@H]2F)cc1 ZINC000096171724 209130330 /nfs/dbraw/zinc/13/03/30/209130330.db2.gz JEQAASOABCTOMM-RTBURBONSA-N 1 0 374.481 3.775 50 0 FHAARO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000096164747 209129631 /nfs/dbraw/zinc/12/96/31/209129631.db2.gz NSRIEROEFGCGCW-KRWDZBQOSA-N 1 0 363.465 3.788 50 0 FHAARO CN[C@@H](c1nc(C2CCCC2)nn1C1CC[NH+](C)CC1)c1ccccc1 ZINC000096130363 209116055 /nfs/dbraw/zinc/11/60/55/209116055.db2.gz OAAPIVSNTWUHNG-LJQANCHMSA-N 1 0 353.514 3.511 50 0 FHAARO C[C@@H]1C[N@@H+](CCCOc2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000016247588 220181772 /nfs/dbraw/zinc/18/17/72/220181772.db2.gz XLTNEDTUYPIMMM-TXEJJXNPSA-N 1 0 362.695 3.981 50 0 FHAARO COc1ccc(-[n+]2cc(-c3ccc4c(c3)OCCO4)n3c2CCCC3)cc1 ZINC000001414382 206685282 /nfs/dbraw/zinc/68/52/82/206685282.db2.gz KWHJYDVIOFFQSV-UHFFFAOYSA-N 1 0 363.437 3.548 50 0 FHAARO CC1(C)CC(NC(=O)COc2ccc(Cl)cc2Cl)CC(C)(C)[NH2+]1 ZINC000000793090 206832214 /nfs/dbraw/zinc/83/22/14/206832214.db2.gz KYALZCKKFVRMAC-UHFFFAOYSA-N 1 0 359.297 3.798 50 0 FHAARO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000002843489 206939501 /nfs/dbraw/zinc/93/95/01/206939501.db2.gz PCRMKKMKFBAEKN-GOSISDBHSA-N 1 0 366.914 3.701 50 0 FHAARO CCCC[NH2+]CCOCCOc1ccc(Br)cc1Cl ZINC000003003939 206951708 /nfs/dbraw/zinc/95/17/08/206951708.db2.gz PDBYPBCYCKLDGZ-UHFFFAOYSA-N 1 0 350.684 3.888 50 0 FHAARO O[C@]1(c2ccc(OC(F)F)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 ZINC000004086824 207000191 /nfs/dbraw/zinc/00/01/91/207000191.db2.gz HLFVJLZHAYSEMR-FQEVSTJZSA-N 1 0 359.396 3.548 50 0 FHAARO COc1ccc(CN2CCC([N@H+](C)Cc3ccccc3)CC2)c(OC)c1 ZINC000004351152 207015187 /nfs/dbraw/zinc/01/51/87/207015187.db2.gz QRTAUMNSZJVNGY-UHFFFAOYSA-N 1 0 354.494 3.800 50 0 FHAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)C3CCCCC3)sc2c1 ZINC000004359133 207016088 /nfs/dbraw/zinc/01/60/88/207016088.db2.gz SEDJGRVDASIGTD-UHFFFAOYSA-N 1 0 361.511 3.780 50 0 FHAARO COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c1 ZINC000004554075 207027574 /nfs/dbraw/zinc/02/75/74/207027574.db2.gz JOQRXJFDUAKZNY-QGZVFWFLSA-N 1 0 357.479 3.952 50 0 FHAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3sccc3C)CC2)cc1 ZINC000004614395 207032796 /nfs/dbraw/zinc/03/27/96/207032796.db2.gz AYBGDYAMQPCJTE-UHFFFAOYSA-N 1 0 358.507 3.594 50 0 FHAARO CC[NH+](CC)CCNC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000004699404 207039704 /nfs/dbraw/zinc/03/97/04/207039704.db2.gz PPHUVXIOOLULMS-KRWDZBQOSA-N 1 0 361.530 3.623 50 0 FHAARO O=C1C[C@@H]([NH2+]CCC2=CCCCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000004820518 207051456 /nfs/dbraw/zinc/05/14/56/207051456.db2.gz MKFWBRSASIYBTN-MRXNPFEDSA-N 1 0 366.383 3.817 50 0 FHAARO O=C(CC[NH+]1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000004942317 207065547 /nfs/dbraw/zinc/06/55/47/207065547.db2.gz IFPJKGLYRZPIDJ-OAHLLOKOSA-N 1 0 359.520 3.973 50 0 FHAARO COCCNC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000005091132 207080050 /nfs/dbraw/zinc/08/00/50/207080050.db2.gz SVDSOHNBRGBAGX-UHFFFAOYSA-N 1 0 366.505 3.518 50 0 FHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccccc2Oc2ccccc2)N1 ZINC000005317955 207093275 /nfs/dbraw/zinc/09/32/75/207093275.db2.gz OEAXNDHELDLRRI-LJQANCHMSA-N 1 0 355.401 3.925 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2cc(F)ccc2[nH]1 ZINC000005346823 207094268 /nfs/dbraw/zinc/09/42/68/207094268.db2.gz AWKZXZUXQDPTGD-UHFFFAOYSA-N 1 0 351.425 3.701 50 0 FHAARO Cc1ccc([C@@H](CC(=O)NCCC[NH+](C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000005348409 207095344 /nfs/dbraw/zinc/09/53/44/207095344.db2.gz KFXGNULOTVUHLH-WOJBJXKFSA-N 1 0 360.542 3.742 50 0 FHAARO CC[NH+](CC)CCCNc1nc2sc3c(c2c2ncnn21)[C@@H](C)CCC3 ZINC000005562813 207106790 /nfs/dbraw/zinc/10/67/90/207106790.db2.gz RWGUXNFHIQWTQR-ZDUSSCGKSA-N 1 0 372.542 3.923 50 0 FHAARO COc1ccc(N2C(=O)[C@@H](C[NH+]3CCCCC3)[C@H]2c2ccccc2)cc1 ZINC000005720511 207114065 /nfs/dbraw/zinc/11/40/65/207114065.db2.gz LLCAMQMPRIAKTP-LEWJYISDSA-N 1 0 350.462 3.885 50 0 FHAARO C[NH+](C)CCNC(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000006343601 207138082 /nfs/dbraw/zinc/13/80/82/207138082.db2.gz QEELLACPXNYTKP-JXAWBTAJSA-N 1 0 360.404 3.506 50 0 FHAARO COc1ccc2oc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)c(C)c2c1 ZINC000006589276 207148242 /nfs/dbraw/zinc/14/82/42/207148242.db2.gz GYFPHXCRPSJORY-OAHLLOKOSA-N 1 0 358.463 3.844 50 0 FHAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)CCc1cn(C)c2ccccc12 ZINC000006857957 207173303 /nfs/dbraw/zinc/17/33/03/207173303.db2.gz CJKWCGHFOPZIPR-ROUUACIJSA-N 1 0 355.526 3.880 50 0 FHAARO Cc1cc(OC[C@@H](O)C[NH2+]CCCOC(C)C)c(C(C)C)cc1Cl ZINC000007015590 207184753 /nfs/dbraw/zinc/18/47/53/207184753.db2.gz UWBAEOAKJWLPSV-INIZCTEOSA-N 1 0 357.922 3.916 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(-c2ccccc2)n[nH]1 ZINC000007118874 207186914 /nfs/dbraw/zinc/18/69/14/207186914.db2.gz RLPQHEMZVUEXMP-UHFFFAOYSA-N 1 0 360.461 3.603 50 0 FHAARO CCOc1ccc2ccccc2c1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000007127008 207188104 /nfs/dbraw/zinc/18/81/04/207188104.db2.gz YZRMXILTRJKCRY-IBGZPJMESA-N 1 0 357.417 3.685 50 0 FHAARO COc1cc(C[NH2+]C2CC2)cc(Br)c1OCc1cccnc1 ZINC000007274928 207192194 /nfs/dbraw/zinc/19/21/94/207192194.db2.gz IFONLDBOMMOBLX-UHFFFAOYSA-N 1 0 363.255 3.684 50 0 FHAARO Cc1ccc2nc(C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)cc(=O)n2c1 ZINC000007266972 207192368 /nfs/dbraw/zinc/19/23/68/207192368.db2.gz LNQLJHVCDMLGFK-UHFFFAOYSA-N 1 0 361.367 3.654 50 0 FHAARO COC(=O)C1CC[NH+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000007390999 207194084 /nfs/dbraw/zinc/19/40/84/207194084.db2.gz GSDOLGUNTXIXFU-UHFFFAOYSA-N 1 0 357.450 3.610 50 0 FHAARO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c(OC)c1 ZINC000007849985 207210836 /nfs/dbraw/zinc/21/08/36/207210836.db2.gz IFKVRFQUJNRAFK-UHFFFAOYSA-N 1 0 368.477 3.620 50 0 FHAARO CN(C(=O)CN1CCCCC1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000008263368 207225803 /nfs/dbraw/zinc/22/58/03/207225803.db2.gz LLCPMJDCRSNLTA-FQEVSTJZSA-N 1 0 362.901 3.623 50 0 FHAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1ccccc1 ZINC000036396125 207281752 /nfs/dbraw/zinc/28/17/52/207281752.db2.gz ZXFWJYSPCGSPAR-SFHVURJKSA-N 1 0 352.478 3.756 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000010220097 207297744 /nfs/dbraw/zinc/29/77/44/207297744.db2.gz QJANQBNDJLFZFJ-FQEVSTJZSA-N 1 0 370.880 3.556 50 0 FHAARO OCCOCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000010435645 207300201 /nfs/dbraw/zinc/30/02/01/207300201.db2.gz GTIWSSBVRPSGGC-UHFFFAOYSA-N 1 0 370.276 3.671 50 0 FHAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)Nc1ccccc1N1CCCC1=O ZINC000010090495 207295442 /nfs/dbraw/zinc/29/54/42/207295442.db2.gz QSJBYPKUGZIJTE-LJQANCHMSA-N 1 0 363.461 3.589 50 0 FHAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(OC)c1 ZINC000010433824 207300461 /nfs/dbraw/zinc/30/04/61/207300461.db2.gz LTYBZBQPJWIEPN-UHFFFAOYSA-N 1 0 354.450 3.942 50 0 FHAARO OCCOCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000010435659 207301097 /nfs/dbraw/zinc/30/10/97/207301097.db2.gz PNCVDOHJBSDCFD-UHFFFAOYSA-N 1 0 351.446 3.517 50 0 FHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3F)CC2)cc1 ZINC000010463412 207301649 /nfs/dbraw/zinc/30/16/49/207301649.db2.gz AIIWMMKAVNYREO-UHFFFAOYSA-N 1 0 357.429 3.574 50 0 FHAARO CN1CCC[C@@]2(CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C2)C1=O ZINC000011712150 207320172 /nfs/dbraw/zinc/32/01/72/207320172.db2.gz MVCPOLGPONLUMJ-QHCPKHFHSA-N 1 0 364.489 3.710 50 0 FHAARO Cc1ccoc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000011775474 207322514 /nfs/dbraw/zinc/32/25/14/207322514.db2.gz LSWJDYKGOJJIAG-QFIPXVFZSA-N 1 0 352.478 3.759 50 0 FHAARO Cc1cc(C(=O)N2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c(C)o1 ZINC000011665197 207316557 /nfs/dbraw/zinc/31/65/57/207316557.db2.gz PEYCIPQFMWJZPZ-FQEVSTJZSA-N 1 0 367.493 3.666 50 0 FHAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccsc4)C3)C2)c1 ZINC000011933121 207329726 /nfs/dbraw/zinc/32/97/26/207329726.db2.gz VNDPKSSBCCSSSH-NRFANRHFSA-N 1 0 370.518 3.885 50 0 FHAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)[C@@H]2CCOC2)c1 ZINC000011934490 207330291 /nfs/dbraw/zinc/33/02/91/207330291.db2.gz FNJORJHFSIEINO-HXUWFJFHSA-N 1 0 363.461 3.769 50 0 FHAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@@]23C1=O ZINC000011949601 207331207 /nfs/dbraw/zinc/33/12/07/207331207.db2.gz ITMDMTPKWBJTJV-JTAQYXEDSA-N 1 0 362.473 3.633 50 0 FHAARO CC(C)CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1 ZINC000011839518 207324132 /nfs/dbraw/zinc/32/41/32/207324132.db2.gz JZODXGDSLPGDDG-GOSISDBHSA-N 1 0 362.489 3.502 50 0 FHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000011816851 207324641 /nfs/dbraw/zinc/32/46/41/207324641.db2.gz BWFIHOIPVPVXBV-UHFFFAOYSA-N 1 0 360.461 3.973 50 0 FHAARO Cn1c(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc2ccccc21 ZINC000011844555 207325482 /nfs/dbraw/zinc/32/54/82/207325482.db2.gz SYJFJRQMQYASOE-FQEVSTJZSA-N 1 0 361.489 3.615 50 0 FHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)oc2C)C1 ZINC000011842420 207325598 /nfs/dbraw/zinc/32/55/98/207325598.db2.gz FMWUJTIXFQDZPM-QGZVFWFLSA-N 1 0 373.472 3.870 50 0 FHAARO O=C(c1ccoc1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000011842902 207325743 /nfs/dbraw/zinc/32/57/43/207325743.db2.gz XYYFZSDXVHEEBC-QFIPXVFZSA-N 1 0 352.478 3.841 50 0 FHAARO CCC(CC)[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1OC)C2=O ZINC000011873530 207327810 /nfs/dbraw/zinc/32/78/10/207327810.db2.gz FCWNJSBCQSPSKT-JOCHJYFZSA-N 1 0 374.525 3.707 50 0 FHAARO O=C(CC(F)(F)F)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012050218 207335190 /nfs/dbraw/zinc/33/51/90/207335190.db2.gz NDDBLPNEMRZYRG-QGZVFWFLSA-N 1 0 358.379 3.593 50 0 FHAARO O=C(C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2)c1ccccc1 ZINC000012055314 207335532 /nfs/dbraw/zinc/33/55/32/207335532.db2.gz AIVCXMYHGBHWFG-HSZRJFAPSA-N 1 0 368.521 3.764 50 0 FHAARO CC[C@@H](C)C[NH+]1CCC(O)(Cc2cc(-c3cccc(OC)c3)no2)CC1 ZINC000012057031 207335962 /nfs/dbraw/zinc/33/59/62/207335962.db2.gz SWFKPLQIMICFOB-MRXNPFEDSA-N 1 0 358.482 3.766 50 0 FHAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cccnc4C)C3)C2)c1 ZINC000012111797 207338275 /nfs/dbraw/zinc/33/82/75/207338275.db2.gz USDKCOLOFFLLPM-QHCPKHFHSA-N 1 0 363.505 3.827 50 0 FHAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+]([C@@H](C)CSC)CC1 ZINC000012209659 207349274 /nfs/dbraw/zinc/34/92/74/207349274.db2.gz RGRSELDJZVDIAC-INIZCTEOSA-N 1 0 365.539 3.635 50 0 FHAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2c(F)cccc2F)C1 ZINC000012226369 207350000 /nfs/dbraw/zinc/35/00/00/207350000.db2.gz WMHJUNUNDWHFLP-GOSISDBHSA-N 1 0 372.459 3.992 50 0 FHAARO COc1ccc(OC)c(C[NH+]2CCC(CO)(CCc3ccccc3)CC2)c1 ZINC000012224722 207350066 /nfs/dbraw/zinc/35/00/66/207350066.db2.gz MAOWZXULTWKESB-UHFFFAOYSA-N 1 0 369.505 3.911 50 0 FHAARO CCOC(=O)C1(CCOC)CC[NH+]([C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000012302752 207356509 /nfs/dbraw/zinc/35/65/09/207356509.db2.gz SARXXAALOBKCDR-INIZCTEOSA-N 1 0 367.917 3.953 50 0 FHAARO O=C(CC[C@H]1CCC[N@H+](CCCn2cccn2)C1)Nc1ccccc1F ZINC000012315933 207357877 /nfs/dbraw/zinc/35/78/77/207357877.db2.gz OOIYSFPZMSTCFB-QGZVFWFLSA-N 1 0 358.461 3.543 50 0 FHAARO c1nn(-c2ccccn2)c2c1[C@@H]([NH2+]Cc1cccc3ncccc13)CCC2 ZINC000012308745 207357996 /nfs/dbraw/zinc/35/79/96/207357996.db2.gz BYHQVYMZRJDMAE-FQEVSTJZSA-N 1 0 355.445 3.983 50 0 FHAARO O=C1N(Cc2cccnc2)CCC[C@@]12CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000012307574 207358706 /nfs/dbraw/zinc/35/87/06/207358706.db2.gz BTGKZAIQDGYJNK-NRFANRHFSA-N 1 0 369.896 3.750 50 0 FHAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000012308097 207359586 /nfs/dbraw/zinc/35/95/86/207359586.db2.gz DYMWHAXFLNITRV-JOCHJYFZSA-N 1 0 368.477 3.696 50 0 FHAARO O=C(c1ccc(F)c(Cl)c1)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012386154 207367836 /nfs/dbraw/zinc/36/78/36/207367836.db2.gz YUFXYQOORONNOP-LJQANCHMSA-N 1 0 350.865 3.817 50 0 FHAARO Cc1nc(CC(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cs1 ZINC000012429552 207374297 /nfs/dbraw/zinc/37/42/97/207374297.db2.gz HRUQJJLMNFCCIP-FQEVSTJZSA-N 1 0 371.550 3.550 50 0 FHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000012429333 207374578 /nfs/dbraw/zinc/37/45/78/207374578.db2.gz KYAQBEUTFYBCIW-OAHLLOKOSA-N 1 0 365.399 3.842 50 0 FHAARO CC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000012460232 207380411 /nfs/dbraw/zinc/38/04/11/207380411.db2.gz BQLOANARRFJVPC-QGZVFWFLSA-N 1 0 367.493 3.653 50 0 FHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000012590552 207398040 /nfs/dbraw/zinc/39/80/40/207398040.db2.gz UVAMLSSOXUVORU-HNNXBMFYSA-N 1 0 361.511 3.792 50 0 FHAARO CC[NH+]1CCC(N[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1 ZINC000012582977 207398254 /nfs/dbraw/zinc/39/82/54/207398254.db2.gz ROZHUEILHBWQBM-IBGZPJMESA-N 1 0 360.452 3.602 50 0 FHAARO O=C(Nc1ccnn1C1CC[NH+](C2CCC2)CC1)c1ccccc1Cl ZINC000014956284 207533204 /nfs/dbraw/zinc/53/32/04/207533204.db2.gz RSPIUWHFEYORGU-UHFFFAOYSA-N 1 0 358.873 3.978 50 0 FHAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)/C=C/c2ccccn2)CC1 ZINC000015065880 207542588 /nfs/dbraw/zinc/54/25/88/207542588.db2.gz ASPRQPSQPSUWGL-ZHACJKMWSA-N 1 0 363.505 3.508 50 0 FHAARO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000018075131 207624314 /nfs/dbraw/zinc/62/43/14/207624314.db2.gz SCOFVSMZBRPPIL-UHFFFAOYSA-N 1 0 352.478 3.790 50 0 FHAARO C[N@H+](CCc1c[nH]c2ccc(O)cc12)C[C@@]1(c2ccc(F)cc2)CCOC1 ZINC000019224173 207648519 /nfs/dbraw/zinc/64/85/19/207648519.db2.gz FNHHBVMVEMDMED-QFIPXVFZSA-N 1 0 368.452 3.845 50 0 FHAARO CN(Cc1nc2ccccc2n1C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019720361 207705664 /nfs/dbraw/zinc/70/56/64/207705664.db2.gz OXWUEMRCYJYELF-FQEVSTJZSA-N 1 0 362.521 3.712 50 0 FHAARO COc1ccccc1OCC(=O)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000021148714 207766816 /nfs/dbraw/zinc/76/68/16/207766816.db2.gz CQLYCVQJVCBCAY-LJQANCHMSA-N 1 0 374.525 3.721 50 0 FHAARO O=C(CCC1CC[NH+](CCCC2CCCC2)CC1)NC[C@@H]1CCCO1 ZINC000012001636 207751128 /nfs/dbraw/zinc/75/11/28/207751128.db2.gz HCPZEBDSJZQLFL-FQEVSTJZSA-N 1 0 350.547 3.744 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 ZINC000028402755 207961658 /nfs/dbraw/zinc/96/16/58/207961658.db2.gz JFYMEUOTHQFLOG-SFHVURJKSA-N 1 0 364.445 3.606 50 0 FHAARO CC(C)[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[NH+](C)C ZINC000030610860 208002420 /nfs/dbraw/zinc/00/24/20/208002420.db2.gz STRUJFPUDURCFF-OAQYLSRUSA-N 1 0 362.477 3.613 50 0 FHAARO CC[NH+](CC)Cc1cccc(NC(=O)CCCNC(=O)c2cccs2)c1 ZINC000031532005 208014019 /nfs/dbraw/zinc/01/40/19/208014019.db2.gz ZRLGXHXSYUTNGQ-UHFFFAOYSA-N 1 0 373.522 3.739 50 0 FHAARO COc1cccc(CC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000032930087 208058482 /nfs/dbraw/zinc/05/84/82/208058482.db2.gz XTUMYGCOGZXUMV-SFHVURJKSA-N 1 0 366.505 3.786 50 0 FHAARO COc1cccc(CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000032930750 208058725 /nfs/dbraw/zinc/05/87/25/208058725.db2.gz WFQROTVKNXKNQH-SFHVURJKSA-N 1 0 366.505 3.929 50 0 FHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3ccc(F)c(C)c3)c2)C1 ZINC000034670380 208104554 /nfs/dbraw/zinc/10/45/54/208104554.db2.gz ADNYAUMAEGQLMA-SFHVURJKSA-N 1 0 356.441 3.971 50 0 FHAARO OC[C@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)C1 ZINC000034868051 208114164 /nfs/dbraw/zinc/11/41/64/208114164.db2.gz WYMNJKCOXKTMRK-BTYIYWSLSA-N 1 0 357.425 3.638 50 0 FHAARO COCC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2C)CC1 ZINC000069737442 208119295 /nfs/dbraw/zinc/11/92/95/208119295.db2.gz FIFXCFPTMRJWHR-NRFANRHFSA-N 1 0 358.526 3.625 50 0 FHAARO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103568 208144878 /nfs/dbraw/zinc/14/48/78/208144878.db2.gz ORTWZIIKZAJNMM-LJQANCHMSA-N 1 0 371.477 3.594 50 0 FHAARO CCC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1 ZINC000036098469 208145221 /nfs/dbraw/zinc/14/52/21/208145221.db2.gz ZLIOSGRPZANBTB-GOSISDBHSA-N 1 0 357.450 3.587 50 0 FHAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C)cc1 ZINC000036101773 208147290 /nfs/dbraw/zinc/14/72/90/208147290.db2.gz NKLPNBMDCKCXHD-OAQYLSRUSA-N 1 0 355.478 3.701 50 0 FHAARO Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COC(C)C ZINC000036104605 208147421 /nfs/dbraw/zinc/14/74/21/208147421.db2.gz KZPJPALHQQPRKX-HXUWFJFHSA-N 1 0 371.477 3.512 50 0 FHAARO COc1ccccc1C[N@H+](CCC(C)C)C[C@H](O)COc1ccccc1 ZINC000036096203 208147614 /nfs/dbraw/zinc/14/76/14/208147614.db2.gz WONQCICTHQFCOF-FQEVSTJZSA-N 1 0 357.494 3.983 50 0 FHAARO CCC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145903 208148881 /nfs/dbraw/zinc/14/88/81/208148881.db2.gz BXZTWFPRDKOTPY-RTWAWAEBSA-N 1 0 370.468 3.982 50 0 FHAARO O=C(N[C@@H]1CCCc2c1cnn2-c1cc[nH+]cc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000071195726 208180808 /nfs/dbraw/zinc/18/08/08/208180808.db2.gz FCTJTNUMHNLONK-WSTZPKSXSA-N 1 0 358.445 3.565 50 0 FHAARO CN(Cc1csc(-c2cccs2)n1)c1cc([C@H]2CCC[NH2+]C2)ncn1 ZINC000039388128 208211341 /nfs/dbraw/zinc/21/13/41/208211341.db2.gz YOAWMBMBCWHXQQ-ZDUSSCGKSA-N 1 0 371.535 3.765 50 0 FHAARO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC(C)(C)C ZINC000040002631 208217640 /nfs/dbraw/zinc/21/76/40/208217640.db2.gz ZZRCCBMZLYLCCO-APWZRJJASA-N 1 0 367.493 3.573 50 0 FHAARO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1CCCCC1 ZINC000040071800 208220993 /nfs/dbraw/zinc/22/09/93/208220993.db2.gz GXMWIDMFQXOGOL-GJZGRUSLSA-N 1 0 357.498 3.523 50 0 FHAARO Cc1cc(NC(=O)NC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000040097462 208228271 /nfs/dbraw/zinc/22/82/71/208228271.db2.gz WXKFTMXVMXILLG-UHFFFAOYSA-N 1 0 352.276 3.506 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)CCOc1ccc(Cl)cc1)c1ccsc1 ZINC000040107424 208230259 /nfs/dbraw/zinc/23/02/59/208230259.db2.gz WZZJNXGIUMWIKF-MRXNPFEDSA-N 1 0 352.887 3.590 50 0 FHAARO C[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C[NH+]1CCCC1 ZINC000040152066 208235934 /nfs/dbraw/zinc/23/59/34/208235934.db2.gz CRNMGGHZMXBPDG-MRXNPFEDSA-N 1 0 353.510 3.899 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1-n1cccn1)c1ccsc1 ZINC000040154364 208237018 /nfs/dbraw/zinc/23/70/18/208237018.db2.gz CEWFDMUWPPXOKG-IBGZPJMESA-N 1 0 368.506 3.747 50 0 FHAARO CC(C)Oc1ccc(Br)cc1C[NH2+]CCCn1ccnc1 ZINC000040719419 208263283 /nfs/dbraw/zinc/26/32/83/208263283.db2.gz ZTRPXESTRVBLLL-UHFFFAOYSA-N 1 0 352.276 3.613 50 0 FHAARO CCCC[NH2+]Cc1cccc(OC)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734583 208265348 /nfs/dbraw/zinc/26/53/48/208265348.db2.gz IUHOJWHZCSOALD-UHFFFAOYSA-N 1 0 356.466 3.911 50 0 FHAARO CCOCCC[NH2+]Cc1cc(Br)cc(OC)c1OC(C)C ZINC000040728502 208265520 /nfs/dbraw/zinc/26/55/20/208265520.db2.gz IXRFDQJKGWNTIW-UHFFFAOYSA-N 1 0 360.292 3.761 50 0 FHAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]Cc3ccco3)c2)cc1 ZINC000040739140 208266148 /nfs/dbraw/zinc/26/61/48/208266148.db2.gz OJUNANKXBHWKSU-UHFFFAOYSA-N 1 0 350.418 3.895 50 0 FHAARO Cc1cccc(COc2ccccc2C[NH2+]CCCN2CCCC2=O)c1 ZINC000040731536 208266822 /nfs/dbraw/zinc/26/68/22/208266822.db2.gz UGDIGCSPZGLTKC-UHFFFAOYSA-N 1 0 352.478 3.676 50 0 FHAARO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734639 208266889 /nfs/dbraw/zinc/26/68/89/208266889.db2.gz FXVBDIGAKXYWCS-MRXNPFEDSA-N 1 0 356.466 3.909 50 0 FHAARO Cc1ccccc1COc1ccc(Br)cc1C[NH2+]C[C@@H](C)O ZINC000040744033 208268219 /nfs/dbraw/zinc/26/82/19/208268219.db2.gz GKYSEUKGINKVLK-CQSZACIVSA-N 1 0 364.283 3.807 50 0 FHAARO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000299738533 208326030 /nfs/dbraw/zinc/32/60/30/208326030.db2.gz CAJVGDWMSGAYNC-BXUZGUMPSA-N 1 0 363.914 3.971 50 0 FHAARO Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCC[NH+]1CCCCCC1 ZINC000046046719 208356461 /nfs/dbraw/zinc/35/64/61/208356461.db2.gz GQTLGUXCFDYGJL-UHFFFAOYSA-N 1 0 361.873 3.909 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cccc3c[nH]nc32)cc1 ZINC000048252258 208393646 /nfs/dbraw/zinc/39/36/46/208393646.db2.gz CYTFFFZYZJFQCB-MRXNPFEDSA-N 1 0 362.477 3.867 50 0 FHAARO O=C1OCCN1c1cccc(C[NH2+]Cc2cc(Br)cs2)c1 ZINC000048301137 208397146 /nfs/dbraw/zinc/39/71/46/208397146.db2.gz LEGMIVQHOJSZPP-UHFFFAOYSA-N 1 0 367.268 3.757 50 0 FHAARO CCc1nnsc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000048310345 208397350 /nfs/dbraw/zinc/39/73/50/208397350.db2.gz YVYHVDOXTORDBU-HUUCEWRRSA-N 1 0 372.538 3.508 50 0 FHAARO CC1CC[NH+]([C@@H](CNS(=O)(=O)Cc2ccccc2)c2ccccc2)CC1 ZINC000048309547 208397577 /nfs/dbraw/zinc/39/75/77/208397577.db2.gz ZBVKBPGMMHDCFO-NRFANRHFSA-N 1 0 372.534 3.579 50 0 FHAARO CC(=O)OCc1c(C)cc(C)c(C[NH2+][C@H](c2nccn2C)C(C)C)c1C ZINC000055120336 208466749 /nfs/dbraw/zinc/46/67/49/208466749.db2.gz ZMRLPPQZPWWJMQ-FQEVSTJZSA-N 1 0 357.498 3.895 50 0 FHAARO CCOc1ccc2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)[nH]c2c1 ZINC000058192650 208564626 /nfs/dbraw/zinc/56/46/26/208564626.db2.gz COIGSDMBHZHJQW-UHFFFAOYSA-N 1 0 355.482 3.657 50 0 FHAARO C=Cc1ccc(CSc2nc3ccccc3c(=O)n2CC[NH+](C)C)cc1 ZINC000067258694 208701577 /nfs/dbraw/zinc/70/15/77/208701577.db2.gz PZIKCAPRZKUAAD-UHFFFAOYSA-N 1 0 365.502 3.893 50 0 FHAARO C[C@H]([NH2+]CC1(c2ccccc2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000079015269 208937000 /nfs/dbraw/zinc/93/70/00/208937000.db2.gz LBNOIYPUMFXBDE-SIKLNZKXSA-N 1 0 350.506 3.770 50 0 FHAARO Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000091409924 208975232 /nfs/dbraw/zinc/97/52/32/208975232.db2.gz ZNFRAAVQZGPRJR-IBGZPJMESA-N 1 0 366.509 3.568 50 0 FHAARO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000095976494 209094117 /nfs/dbraw/zinc/09/41/17/209094117.db2.gz CGGFREDLBDXSKV-RSAASHCRSA-N 1 0 374.706 3.873 50 0 FHAARO CN(C(=O)c1ccc2cccc(F)c2n1)[C@H](C[NH+](C)C)c1ccccc1 ZINC000091987228 209008645 /nfs/dbraw/zinc/00/86/45/209008645.db2.gz BUURHGYTPXJBRA-LJQANCHMSA-N 1 0 351.425 3.749 50 0 FHAARO Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)n1 ZINC000095353947 209025122 /nfs/dbraw/zinc/02/51/22/209025122.db2.gz LGXKUUODEOIELF-FQEVSTJZSA-N 1 0 363.505 3.732 50 0 FHAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000095356026 209026821 /nfs/dbraw/zinc/02/68/21/209026821.db2.gz QOGAARMMCWYBOJ-UHFFFAOYSA-N 1 0 374.916 3.508 50 0 FHAARO Cc1noc2nc(C)nc(NCC[N@@H+]3CCC[C@@H](c4ccccc4)C3)c12 ZINC000095357536 209026909 /nfs/dbraw/zinc/02/69/09/209026909.db2.gz UKGDALNVNTYMQR-QGZVFWFLSA-N 1 0 351.454 3.526 50 0 FHAARO CN(Cc1ccnc2ccccc12)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095360508 209027438 /nfs/dbraw/zinc/02/74/38/209027438.db2.gz VPCZXXJGODICLL-LJQANCHMSA-N 1 0 359.473 3.974 50 0 FHAARO CCc1cccc(OC2CN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)c1 ZINC000095361797 209028635 /nfs/dbraw/zinc/02/86/35/209028635.db2.gz WTJYQLZNKDULNW-UHFFFAOYSA-N 1 0 364.489 3.748 50 0 FHAARO CC[C@@H](CNC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1)[N@H+](C)CC ZINC000095361612 209028839 /nfs/dbraw/zinc/02/88/39/209028839.db2.gz RSIPSVCAOMCVJR-SFHVURJKSA-N 1 0 368.456 3.601 50 0 FHAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095368953 209032601 /nfs/dbraw/zinc/03/26/01/209032601.db2.gz IDFIAFWPYZUMFG-OAHLLOKOSA-N 1 0 369.440 3.771 50 0 FHAARO Cc1ccc2[nH]c(CN(C)C(=O)c3ccc([C@@H]4CCC[NH2+]C4)cc3)nc2c1 ZINC000095380712 209040814 /nfs/dbraw/zinc/04/08/14/209040814.db2.gz DIJBVSGNDOXUCD-GOSISDBHSA-N 1 0 362.477 3.611 50 0 FHAARO CCc1ccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000095408973 209048835 /nfs/dbraw/zinc/04/88/35/209048835.db2.gz WZLFMAPFGQJNFV-WIYYLYMNSA-N 1 0 366.505 3.797 50 0 FHAARO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H]4CCCN(C(C)C)C4=O)CC3)c2c1 ZINC000095407279 209049184 /nfs/dbraw/zinc/04/91/84/209049184.db2.gz SXRZZYYDSKHJHD-NRFANRHFSA-N 1 0 367.493 3.665 50 0 FHAARO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000095440589 209051311 /nfs/dbraw/zinc/05/13/11/209051311.db2.gz ALFNVQWITHWSAB-AWEZNQCLSA-N 1 0 355.404 3.901 50 0 FHAARO Cn1cccc1[C@H](O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000095454564 209052247 /nfs/dbraw/zinc/05/22/47/209052247.db2.gz JVBWIINQDGOZEU-AZUAARDMSA-N 1 0 355.869 3.681 50 0 FHAARO c1cnn(-c2cccc(C[N@@H+]3CCC[C@H]3c3cccc4c3OCCO4)c2)c1 ZINC000095455416 209052318 /nfs/dbraw/zinc/05/23/18/209052318.db2.gz PCXXQYORDNEAJO-FQEVSTJZSA-N 1 0 361.445 3.981 50 0 FHAARO CC(C)(C)NC(=O)NCC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000095452740 209052447 /nfs/dbraw/zinc/05/24/47/209052447.db2.gz XGOVBSKESWZFHM-OAHLLOKOSA-N 1 0 367.921 3.529 50 0 FHAARO CCC[C@@H]1CN(C(=O)c2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000095463175 209053376 /nfs/dbraw/zinc/05/33/76/209053376.db2.gz FVRXMESLSUEWDB-GOSISDBHSA-N 1 0 357.885 3.862 50 0 FHAARO C[N@H+](Cc1ccc(Cl)nc1)C1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000095459846 209053805 /nfs/dbraw/zinc/05/38/05/209053805.db2.gz QEVSXEJWTSUAPM-UHFFFAOYSA-N 1 0 365.308 3.880 50 0 FHAARO C[C@H](NC(=O)c1ccc(-n2cccn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095466110 209055385 /nfs/dbraw/zinc/05/53/85/209055385.db2.gz JJQZNWCHTXZVPX-GHTZIAJQSA-N 1 0 374.488 3.513 50 0 FHAARO C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095466113 209055396 /nfs/dbraw/zinc/05/53/96/209055396.db2.gz JJQZNWCHTXZVPX-NQIIRXRSSA-N 1 0 374.488 3.513 50 0 FHAARO O=C(Nc1ccc2c(c1)CCC2=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000095497994 209059386 /nfs/dbraw/zinc/05/93/86/209059386.db2.gz JZQZNRNMLSYEQE-UHFFFAOYSA-N 1 0 369.490 3.617 50 0 FHAARO Cc1noc(CN2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)n1 ZINC000095500286 209062128 /nfs/dbraw/zinc/06/21/28/209062128.db2.gz MFJWWAHZJBDFBL-IBGZPJMESA-N 1 0 366.509 3.612 50 0 FHAARO C[C@H](NC(=O)CC[N@@H+]1CCc2nc(-c3ccccc3)[nH]c2C1)c1ccccc1 ZINC000095500842 209062230 /nfs/dbraw/zinc/06/22/30/209062230.db2.gz UPXOHVBYPPGOHV-KRWDZBQOSA-N 1 0 374.488 3.702 50 0 FHAARO C[N@H+](CCCNc1cnn(C(C)(C)C)c(=O)c1Cl)Cc1ccccc1 ZINC000070038057 221331925 /nfs/dbraw/zinc/33/19/25/221331925.db2.gz TXCRDRBEESMRNY-UHFFFAOYSA-N 1 0 362.905 3.586 50 0 FHAARO CC(=O)c1cccc(-c2ccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)C3)cc2)c1 ZINC000095505694 209065287 /nfs/dbraw/zinc/06/52/87/209065287.db2.gz VLEDBACPIFDNND-HXUWFJFHSA-N 1 0 351.450 3.724 50 0 FHAARO CC(=O)c1cccc(-c2ccc(NC(=O)N(C)[C@H]3CC[N@H+](C)C3)cc2)c1 ZINC000095505695 209065207 /nfs/dbraw/zinc/06/52/07/209065207.db2.gz VLEDBACPIFDNND-FQEVSTJZSA-N 1 0 351.450 3.724 50 0 FHAARO O=C(c1ccccc1)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000095508973 209066764 /nfs/dbraw/zinc/06/67/64/209066764.db2.gz KNMIBDHVTIJEQG-WIYYLYMNSA-N 1 0 352.453 3.999 50 0 FHAARO Cc1cc(N2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)c2ccccc2[nH+]1 ZINC000095508899 209067107 /nfs/dbraw/zinc/06/71/07/209067107.db2.gz KOLPKCFZYAPTQZ-PKOBYXMFSA-N 1 0 372.472 3.566 50 0 FHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc[nH]c1C ZINC000095510680 209069130 /nfs/dbraw/zinc/06/91/30/209069130.db2.gz IQOZNDDYJZAOGL-LJQANCHMSA-N 1 0 371.500 3.879 50 0 FHAARO O=C1N(Cc2cccc3ccccc32)c2ccccc2NC12CC[NH2+]CC2 ZINC000077287511 132179799 /nfs/dbraw/zinc/17/97/99/132179799.db2.gz DINKFFMDIQBURD-UHFFFAOYSA-N 1 0 357.457 3.921 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cc(C)ncn3)CC2)C1 ZINC000092078083 132206106 /nfs/dbraw/zinc/20/61/06/132206106.db2.gz BMGIBFMPTBNGRV-FQEVSTJZSA-N 1 0 350.510 3.881 50 0 FHAARO C[NH+](C)C1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000095080861 132206620 /nfs/dbraw/zinc/20/66/20/132206620.db2.gz XHGYARQJHQMROI-UHFFFAOYSA-N 1 0 351.210 3.998 50 0 FHAARO CC[C@H]([NH2+]C1CCN(c2cc(=O)[nH]c(C(C)C)n2)CC1)c1cccs1 ZINC000095353922 132206990 /nfs/dbraw/zinc/20/69/90/132206990.db2.gz HQDMSQSJDMAXHA-HNNXBMFYSA-N 1 0 360.527 3.665 50 0 FHAARO Cc1cc(N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)nc2ccc(F)cc12 ZINC000095365465 132208212 /nfs/dbraw/zinc/20/82/12/132208212.db2.gz ZGOMMFMSUKFDLS-MRXNPFEDSA-N 1 0 357.473 3.619 50 0 FHAARO CC[C@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccnn1C ZINC000095366819 132208326 /nfs/dbraw/zinc/20/83/26/132208326.db2.gz SNTYJBSSBSCTDU-HNNXBMFYSA-N 1 0 367.419 3.544 50 0 FHAARO Cc1cccnc1N1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)CC1 ZINC000214998955 132269880 /nfs/dbraw/zinc/26/98/80/132269880.db2.gz IUFKBIBTBASTQG-UHFFFAOYSA-N 1 0 370.566 3.760 50 0 FHAARO O=C(CCC[NH+]1Cc2ccccc2C1)NC1CCN(c2ccccc2)CC1 ZINC000223168241 132278937 /nfs/dbraw/zinc/27/89/37/132278937.db2.gz PDLFMPODZCRYLS-UHFFFAOYSA-N 1 0 363.505 3.568 50 0 FHAARO Cc1nc([C@H](C)N(C)CC[NH+]2CCN(c3ccccc3)CC2)c(C)s1 ZINC000252479918 132292128 /nfs/dbraw/zinc/29/21/28/132292128.db2.gz BPYSYWFYLKEMNW-INIZCTEOSA-N 1 0 358.555 3.575 50 0 FHAARO C[C@H](NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000022198027 132904576 /nfs/dbraw/zinc/90/45/76/132904576.db2.gz QHKRUWRMWZPDOC-KRWDZBQOSA-N 1 0 371.912 3.730 50 0 FHAARO O=C(Nc1ccccc1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000059314196 136132047 /nfs/dbraw/zinc/13/20/47/136132047.db2.gz LFMMYBSGLMMGAZ-OAQYLSRUSA-N 1 0 364.493 3.505 50 0 FHAARO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC000019228660 136152277 /nfs/dbraw/zinc/15/22/77/136152277.db2.gz HUGVFEVVZWKKPX-LJQANCHMSA-N 1 0 367.459 3.844 50 0 FHAARO c1cnn(-c2cccc(N3CCC([NH2+][C@@H]4CCc5ccccc5C4)CC3)c2)c1 ZINC000023505632 136152878 /nfs/dbraw/zinc/15/28/78/136152878.db2.gz HNJOVAKSXYZVGD-JOCHJYFZSA-N 1 0 372.516 3.988 50 0 FHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)C1CC=CC1 ZINC000095525092 209075687 /nfs/dbraw/zinc/07/56/87/209075687.db2.gz OASDGSHHHQHLAH-LJQANCHMSA-N 1 0 358.501 3.895 50 0 FHAARO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(Cn4cccn4)cc3)C[C@H]2N(C)C)cc1 ZINC000095528062 209077637 /nfs/dbraw/zinc/07/76/37/209077637.db2.gz PMAXVCVOILOKEF-BJKOFHAPSA-N 1 0 374.532 3.769 50 0 FHAARO CCOc1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)ccc1OC ZINC000019773626 263376778 /nfs/dbraw/zinc/37/67/78/263376778.db2.gz AAMMEYYMEQJKOU-IBGZPJMESA-N 1 0 372.484 3.987 50 0 FHAARO CCOc1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)ccc1OC ZINC000019773624 263376794 /nfs/dbraw/zinc/37/67/94/263376794.db2.gz AAMMEYYMEQJKOU-LJQANCHMSA-N 1 0 372.484 3.987 50 0 FHAARO CCOc1ccccc1CN(C(=O)NCC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000426546088 263630372 /nfs/dbraw/zinc/63/03/72/263630372.db2.gz GDGNZBSVIUHGOK-UHFFFAOYSA-N 1 0 373.541 3.880 50 0 FHAARO CC[C@@H](O)c1ccc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000426674346 263655490 /nfs/dbraw/zinc/65/54/90/263655490.db2.gz WGSCRGLGTPYPME-OAQYLSRUSA-N 1 0 352.478 3.623 50 0 FHAARO CC(=O)NCc1cc2n(n1)CCN(Cc1ccc(C3CCCCC3)s1)C2 ZINC000082108239 519674935 /nfs/dbraw/zinc/67/49/35/519674935.db2.gz HGHXBLPFEWYPGH-UHFFFAOYSA-N 1 0 372.538 3.644 50 0 FHAARO CC(C)N1C[C@]2(CCC[N@H+](CCCC(=O)c3ccccc3)C2)CCC1=O ZINC000082121072 519697657 /nfs/dbraw/zinc/69/76/57/519697657.db2.gz OUULFFDWCLHNAT-JOCHJYFZSA-N 1 0 356.510 3.763 50 0 FHAARO CC(C)c1csc(CN2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)n1 ZINC000020207703 519853048 /nfs/dbraw/zinc/85/30/48/519853048.db2.gz DKLMIHTZRUCABA-SFHVURJKSA-N 1 0 358.555 3.800 50 0 FHAARO CCCOc1ccc(C[NH2+]CCCn2ccnc2)cc1Br ZINC000020926101 520365715 /nfs/dbraw/zinc/36/57/15/520365715.db2.gz FYPHJRNUMNHYLI-UHFFFAOYSA-N 1 0 352.276 3.614 50 0 FHAARO CCCOc1ccccc1C(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000091620805 520474094 /nfs/dbraw/zinc/47/40/94/520474094.db2.gz ZQHLAMUHSGLYEO-UHFFFAOYSA-N 1 0 353.466 3.531 50 0 FHAARO CCOc1cc(C[NH2+][C@H]2CN3CCC2CC3)ccc1OCc1ccccc1 ZINC000019922676 520731173 /nfs/dbraw/zinc/73/11/73/520731173.db2.gz QLAOFYGBMRAXDH-NRFANRHFSA-N 1 0 366.505 3.848 50 0 FHAARO CCCc1nnc(NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)s1 ZINC000082119961 521566476 /nfs/dbraw/zinc/56/64/76/521566476.db2.gz VNVPAHLDFXUHER-UHFFFAOYSA-N 1 0 374.558 3.838 50 0 FHAARO COc1cc(Br)cc(C[NH2+]CCc2ccccc2F)c1OC ZINC000020933799 522025891 /nfs/dbraw/zinc/02/58/91/522025891.db2.gz FSHAECSJYRDZJM-UHFFFAOYSA-N 1 0 368.246 3.938 50 0 FHAARO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020807191 522048797 /nfs/dbraw/zinc/04/87/97/522048797.db2.gz LQTRZGRKWASDLG-FPOVZHCZSA-N 1 0 368.521 3.762 50 0 FHAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000089361354 523350040 /nfs/dbraw/zinc/35/00/40/523350040.db2.gz ICXDSFKFHYLEEB-OAQYLSRUSA-N 1 0 369.484 3.751 50 0 FHAARO COc1ccc(CC[NH+]2CCN(c3ccc(C)c(C)c3)CC2)cc1OC ZINC000000625015 523951437 /nfs/dbraw/zinc/95/14/37/523951437.db2.gz HNEDGZHGNZNFQC-UHFFFAOYSA-N 1 0 354.494 3.685 50 0 FHAARO C[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000245253910 524103772 /nfs/dbraw/zinc/10/37/72/524103772.db2.gz RQYGBQGUEMQQBG-JXFKEZNVSA-N 1 0 364.445 3.843 50 0 FHAARO COc1ccccc1OCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091585905 524674526 /nfs/dbraw/zinc/67/45/26/524674526.db2.gz MDKBLQGIKDSGKA-LEWJYISDSA-N 1 0 366.505 3.670 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CC[C@H]2CCCO2)C1 ZINC000252452468 525213140 /nfs/dbraw/zinc/21/31/40/525213140.db2.gz KJEIFEBGOPQSEM-DBXWQHBBSA-N 1 0 358.526 3.740 50 0 FHAARO COc1ccc([C@H](CNC(=O)CCc2ccccc2Cl)[NH+](C)C)cc1 ZINC000021224122 525354323 /nfs/dbraw/zinc/35/43/23/525354323.db2.gz GOMMCSREMSWAKM-IBGZPJMESA-N 1 0 360.885 3.700 50 0 FHAARO O[C@H](C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc2cc[nH]c2c1 ZINC000020287252 526273146 /nfs/dbraw/zinc/27/31/46/526273146.db2.gz LWCOJRPPGNNCLS-HXUWFJFHSA-N 1 0 355.869 3.677 50 0 FHAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)OCc1ccccc1)C2 ZINC000091595660 526506755 /nfs/dbraw/zinc/50/67/55/526506755.db2.gz AVMYTXHBCOHJHY-RBUKOAKNSA-N 1 0 369.465 3.524 50 0 FHAARO Cc1noc2ncnc(NCC3CC[NH+](Cc4ccccc4C)CC3)c12 ZINC000020575208 526688317 /nfs/dbraw/zinc/68/83/17/526688317.db2.gz VGDNACVKWPNWPX-UHFFFAOYSA-N 1 0 351.454 3.559 50 0 FHAARO OCC[C@@H]1CN(Cc2c(F)cccc2Cl)CC[N@@H+]1C1CCCCC1 ZINC000020919420 527564880 /nfs/dbraw/zinc/56/48/80/527564880.db2.gz KLHFLLIKLBFKGN-MRXNPFEDSA-N 1 0 354.897 3.680 50 0 FHAARO OCC[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@@H+]1C1CCCC1 ZINC000019836859 527566293 /nfs/dbraw/zinc/56/62/93/527566293.db2.gz MIWXAAFGUJKRLL-LJQANCHMSA-N 1 0 371.550 3.621 50 0 FHAARO CCCOc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000048123529 535272229 /nfs/dbraw/zinc/27/22/29/535272229.db2.gz PRYCGTPSTCEENV-UHFFFAOYSA-N 1 0 374.872 3.878 50 0 FHAARO CCc1cnc(C)nc1N1CCC([NH2+]CCCc2ccc(F)cc2)CC1 ZINC000095519949 536020252 /nfs/dbraw/zinc/02/02/52/536020252.db2.gz YVOKYTRHTAMMLI-UHFFFAOYSA-N 1 0 356.489 3.678 50 0 FHAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(Br)c1 ZINC000013425023 560216630 /nfs/dbraw/zinc/21/66/30/560216630.db2.gz AGZJPXXQAWUYDC-ZBFHGGJFSA-N 1 0 352.272 3.870 50 0 biogenic,in-vitro FHAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2CCC[C@H](c3noc(C)n3)C2)n1 ZINC000215265318 568060779 /nfs/dbraw/zinc/06/07/79/568060779.db2.gz IGDJMDZYWTZCRX-INIZCTEOSA-N 1 0 369.444 3.699 50 0 FHAARO C[NH+](C)CC[C@@H](NC(=O)c1ccc2cccc(F)c2n1)c1ccccc1 ZINC000215457417 568071639 /nfs/dbraw/zinc/07/16/39/568071639.db2.gz MDSQIVVPLPZANH-GOSISDBHSA-N 1 0 351.425 3.797 50 0 FHAARO CC(C)Nc1ncc(C[N@@H+]2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000215624805 568080539 /nfs/dbraw/zinc/08/05/39/568080539.db2.gz YPUPVXJQFSCIBO-FQEVSTJZSA-N 1 0 353.514 3.696 50 0 FHAARO COc1ccccc1CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000215906535 568094930 /nfs/dbraw/zinc/09/49/30/568094930.db2.gz RGQOTZHWXVKAJR-XLIONFOSSA-N 1 0 370.468 3.881 50 0 FHAARO Cn1nc(C(=O)NC2(C[NH+]3CCCC3)CCCCC2)cc1-c1ccccc1 ZINC000216195610 568111522 /nfs/dbraw/zinc/11/15/22/568111522.db2.gz ZZPHJMZNGZSJFS-UHFFFAOYSA-N 1 0 366.509 3.616 50 0 FHAARO COc1cc(Cl)cc(C[NH+]2CCC(CCn3cccn3)CC2)c1OC ZINC000216259499 568115159 /nfs/dbraw/zinc/11/51/59/568115159.db2.gz ZWEGFPFRKKOYHV-UHFFFAOYSA-N 1 0 363.889 3.856 50 0 FHAARO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1c(-c2ccccc2)nc2ncccn12 ZINC000216272506 568115819 /nfs/dbraw/zinc/11/58/19/568115819.db2.gz KWATTZABBPTWHH-KRWDZBQOSA-N 1 0 357.461 3.854 50 0 FHAARO COc1ccc([C@]2(C(=O)N(C)CC[N@H+](C)C3CCCC3)CC2(C)C)cc1 ZINC000216358957 568119698 /nfs/dbraw/zinc/11/96/98/568119698.db2.gz VRDJDVLRXFGCAA-QFIPXVFZSA-N 1 0 358.526 3.696 50 0 FHAARO COc1cc2c(cc1CN1CCNC(=O)CC1)oc(C)c2-c1ccccc1 ZINC000216374068 568120488 /nfs/dbraw/zinc/12/04/88/568120488.db2.gz ZZVNCPXQWVDWHC-UHFFFAOYSA-N 1 0 364.445 3.739 50 0 FHAARO C[NH+](C)CCN[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000022038831 568196152 /nfs/dbraw/zinc/19/61/52/568196152.db2.gz WKJNSQMRGYJUCZ-QGZVFWFLSA-N 1 0 365.399 3.536 50 0 FHAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1cccc(OC)c1 ZINC000000809662 568270808 /nfs/dbraw/zinc/27/08/08/568270808.db2.gz HDPUULRCBGLLAI-UHFFFAOYSA-N 1 0 352.482 3.999 50 0 FHAARO C[NH+]1CCC(OCCCNC(=O)c2cccc(-c3ccccc3F)c2)CC1 ZINC000219255537 568280246 /nfs/dbraw/zinc/28/02/46/568280246.db2.gz MHBUXEJACRTTQB-UHFFFAOYSA-N 1 0 370.468 3.723 50 0 FHAARO COc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 ZINC000000819235 568297014 /nfs/dbraw/zinc/29/70/14/568297014.db2.gz RJXGWEDNDIMSAD-UHFFFAOYSA-N 1 0 352.478 3.532 50 0 FHAARO O=C(NC1CCCC1)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000000819247 568297087 /nfs/dbraw/zinc/29/70/87/568297087.db2.gz FSJXADOZEVNSRG-UHFFFAOYSA-N 1 0 365.315 3.720 50 0 FHAARO CCOc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1OC ZINC000000819325 568297225 /nfs/dbraw/zinc/29/72/25/568297225.db2.gz DOGKWCRNDDMFDO-UHFFFAOYSA-N 1 0 374.525 3.564 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CC(Oc2ccccc2)C1 ZINC000219944400 568312641 /nfs/dbraw/zinc/31/26/41/568312641.db2.gz ZQAXTPNZMFLKKE-UHFFFAOYSA-N 1 0 364.489 3.966 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000000830005 568313494 /nfs/dbraw/zinc/31/34/94/568313494.db2.gz STVCIQOCEIGHLR-UHFFFAOYSA-N 1 0 373.294 3.844 50 0 FHAARO CN(CC[C@@H]1CCCCO1)C(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000220365136 568337933 /nfs/dbraw/zinc/33/79/33/568337933.db2.gz UDZCZCLMYCBNME-NRFANRHFSA-N 1 0 358.526 3.706 50 0 FHAARO CCc1nc(SCC(=O)NC(C)C)nc(N)c1-c1ccc(Cl)cc1 ZINC000032905963 568415023 /nfs/dbraw/zinc/41/50/23/568415023.db2.gz POLPGFFBRZJPSX-UHFFFAOYSA-N 1 0 364.902 3.558 50 0 FHAARO C[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000222204087 568504114 /nfs/dbraw/zinc/50/41/14/568504114.db2.gz FURPSVXUKJUJOT-HZMBPMFUSA-N 1 0 361.795 3.917 50 0 FHAARO Cc1cccc2cc(CN3CCC[N@H+](Cc4cccs4)CC3)c(=O)[nH]c12 ZINC000222354636 568518252 /nfs/dbraw/zinc/51/82/52/568518252.db2.gz ZXPIRVQQBKDWQM-UHFFFAOYSA-N 1 0 367.518 3.606 50 0 FHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3Cc1ccc(OC)c(OC)c1 ZINC000000622000 570438368 /nfs/dbraw/zinc/43/83/68/570438368.db2.gz CSBAVYNEVHLVAF-GOSISDBHSA-N 1 0 352.434 3.623 50 0 FHAARO COc1ccc(-c2ncc(C[N@@H+]3CC[C@@](O)(C4CCC4)[C@H](C)C3)cn2)cc1 ZINC000091820130 570440116 /nfs/dbraw/zinc/44/01/16/570440116.db2.gz MGSDZGIRAJAPCC-ZHRRBRCNSA-N 1 0 367.493 3.525 50 0 FHAARO CN(CCC[NH+]1CCCCCC1)C(=O)c1c[nH]nc1-c1cccc(F)c1 ZINC000091829843 570440142 /nfs/dbraw/zinc/44/01/42/570440142.db2.gz GOYUEQBIRCYMNX-UHFFFAOYSA-N 1 0 358.461 3.554 50 0 FHAARO O=C1CCC2(CC[NH+](C[C@@H]3CC=CCC3)CC2)CN1Cc1ccccn1 ZINC000091830544 570440492 /nfs/dbraw/zinc/44/04/92/570440492.db2.gz OKRCGLAFHYOJHI-LJQANCHMSA-N 1 0 353.510 3.643 50 0 FHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000000752350 570454459 /nfs/dbraw/zinc/45/44/59/570454459.db2.gz NMHJUHZUNPQFNV-OAHLLOKOSA-N 1 0 353.304 3.530 50 0 FHAARO Cc1ccc2ncccc2c1CNC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095518555 570467072 /nfs/dbraw/zinc/46/70/72/570467072.db2.gz ZSUJMYSATYATHQ-KRWDZBQOSA-N 1 0 363.461 3.665 50 0 FHAARO CCCOC[C@@H]1CC[N@@H+](C2CCN(c3ncnc4sc(C)cc43)CC2)C1 ZINC000096149359 570477190 /nfs/dbraw/zinc/47/71/90/570477190.db2.gz WXBGGMUYLZWLHV-MRXNPFEDSA-N 1 0 374.554 3.717 50 0 FHAARO O=C(NCCc1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000001179417 570489165 /nfs/dbraw/zinc/48/91/65/570489165.db2.gz FHHVFFZEBTUHFQ-UHFFFAOYSA-N 1 0 356.897 3.911 50 0 FHAARO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)c1 ZINC000002734646 570528837 /nfs/dbraw/zinc/52/88/37/570528837.db2.gz AWDZNNJDCUIACW-FQEVSTJZSA-N 1 0 352.478 3.566 50 0 FHAARO O=C(CCn1ccc2ccccc21)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023741797 570543827 /nfs/dbraw/zinc/54/38/27/570543827.db2.gz SRMFYDKMFOYLIV-QFIPXVFZSA-N 1 0 361.489 3.985 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc4ccccc43)cc2)CC1 ZINC000005089649 570582895 /nfs/dbraw/zinc/58/28/95/570582895.db2.gz YSRXUDIWBAYSQS-UHFFFAOYSA-N 1 0 359.473 3.773 50 0 FHAARO Cn1cccc1[C@@H](CNC(=O)c1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000011845608 570596319 /nfs/dbraw/zinc/59/63/19/570596319.db2.gz MWXMQYRKURBNDI-QGZVFWFLSA-N 1 0 365.399 3.611 50 0 FHAARO CN(Cc1cc(C2CC2)on1)C(=O)NCC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000426434461 570605338 /nfs/dbraw/zinc/60/53/38/570605338.db2.gz MMPSBHPMEWUZEU-IBGZPJMESA-N 1 0 374.529 3.881 50 0 FHAARO CN(CC[N@H+](C)C1CCCC1)C(=O)c1ccc(-c2ccccc2CO)cc1 ZINC000426503235 570613477 /nfs/dbraw/zinc/61/34/77/570613477.db2.gz GVOANNUTHRJTCC-UHFFFAOYSA-N 1 0 366.505 3.792 50 0 FHAARO Cc1c(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)sc2cccc(F)c12 ZINC000329745966 570620566 /nfs/dbraw/zinc/62/05/66/570620566.db2.gz YRFGJFGBKAIXNB-WCQYABFASA-N 1 0 359.426 3.935 50 0 FHAARO Cc1cc(NC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)on1 ZINC000024239371 570625397 /nfs/dbraw/zinc/62/53/97/570625397.db2.gz CSMVQOBZXGRWQQ-UHFFFAOYSA-N 1 0 356.470 3.798 50 0 FHAARO CCc1ccc(OCc2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000002761503 570670115 /nfs/dbraw/zinc/67/01/15/570670115.db2.gz FGXMJUBJWIASLT-NRFANRHFSA-N 1 0 364.489 3.748 50 0 FHAARO CCOc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000002966387 570679004 /nfs/dbraw/zinc/67/90/04/570679004.db2.gz FOPCUZVPRYNMAT-NRFANRHFSA-N 1 0 371.888 3.999 50 0 FHAARO Cc1cccn(CC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1=O ZINC000179945260 570683638 /nfs/dbraw/zinc/68/36/38/570683638.db2.gz YTVGMAFWGBQDRI-UHFFFAOYSA-N 1 0 367.493 3.560 50 0 FHAARO CCC(CC)C[NH+]1CCC2(C[C@@H]2C(=O)NCCc2ccccc2OC)CC1 ZINC000012204770 570727665 /nfs/dbraw/zinc/72/76/65/570727665.db2.gz CLNFNSBDLGUHOM-HXUWFJFHSA-N 1 0 372.553 3.892 50 0 FHAARO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000017298859 570748800 /nfs/dbraw/zinc/74/88/00/570748800.db2.gz KPIQVUGDIVCCCD-UHFFFAOYSA-N 1 0 368.477 3.620 50 0 FHAARO Cn1cc(C[N@H+](C)Cc2ccsc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012702192 570756757 /nfs/dbraw/zinc/75/67/57/570756757.db2.gz ZDYLYQZGGFIDDU-UHFFFAOYSA-N 1 0 355.463 3.552 50 0 FHAARO CCn1nc(C)c(C[N@H+](CCc2ccccc2)C[C@@H]2CCCN(C)C2)c1C ZINC000012714875 570757812 /nfs/dbraw/zinc/75/78/12/570757812.db2.gz ZPFYMRIUWROXLR-JOCHJYFZSA-N 1 0 368.569 3.906 50 0 FHAARO CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)o1 ZINC000012716952 570758437 /nfs/dbraw/zinc/75/84/37/570758437.db2.gz WFWOCYWNMZSVNF-JOCHJYFZSA-N 1 0 370.468 3.996 50 0 FHAARO COc1ccccc1CNC(=O)[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012886874 570766336 /nfs/dbraw/zinc/76/63/36/570766336.db2.gz KGKOEUJACMCLSY-KRWDZBQOSA-N 1 0 362.473 3.985 50 0 FHAARO COc1ccccc1[C@H](CNC(=O)Nc1ccc(C)cc1)[NH+]1CCCC1 ZINC000012981219 570770417 /nfs/dbraw/zinc/77/04/17/570770417.db2.gz NCXBZFPQFYEZIX-IBGZPJMESA-N 1 0 353.466 3.962 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Nc2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000013048859 570772802 /nfs/dbraw/zinc/77/28/02/570772802.db2.gz SYHYSLUUHAGHAC-HXUWFJFHSA-N 1 0 369.465 3.662 50 0 FHAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013721148 570786726 /nfs/dbraw/zinc/78/67/26/570786726.db2.gz IUFNOZGPEBTGIA-UHFFFAOYSA-N 1 0 374.912 3.966 50 0 FHAARO CCCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OCC)c1 ZINC000013729592 570788190 /nfs/dbraw/zinc/78/81/90/570788190.db2.gz ZVXMLWTWHNNLKP-UHFFFAOYSA-N 1 0 367.453 3.743 50 0 FHAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)N1CCOC12CC[NH+](C)CC2 ZINC000013731730 570788224 /nfs/dbraw/zinc/78/82/24/570788224.db2.gz MFEWVRBZFNGVBG-UHFFFAOYSA-N 1 0 362.857 3.597 50 0 FHAARO Cc1c(C)c(C)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1C ZINC000014095237 570805295 /nfs/dbraw/zinc/80/52/95/570805295.db2.gz SKDQGCRHOHNMLA-UHFFFAOYSA-N 1 0 366.571 3.816 50 0 FHAARO C[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(-n2ccnc2)cc1 ZINC000018048782 570806672 /nfs/dbraw/zinc/80/66/72/570806672.db2.gz JPGAMBDDWMXFDL-YJYMSZOUSA-N 1 0 367.836 3.707 50 0 FHAARO CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014741464 570822927 /nfs/dbraw/zinc/82/29/27/570822927.db2.gz JDSOCGXORRUIOU-UHFFFAOYSA-N 1 0 371.525 3.740 50 0 FHAARO CSc1ncccc1C(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000014967025 570827394 /nfs/dbraw/zinc/82/73/94/570827394.db2.gz HIPQPUCHYZONPP-SFHVURJKSA-N 1 0 369.534 3.631 50 0 FHAARO CSCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000014997169 570828238 /nfs/dbraw/zinc/82/82/38/570828238.db2.gz QVZHETFCVAZJLW-OAHLLOKOSA-N 1 0 360.445 3.539 50 0 FHAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc2ccccc21 ZINC000015075929 570831957 /nfs/dbraw/zinc/83/19/57/570831957.db2.gz XFTQDYKLTOGEAF-LJQANCHMSA-N 1 0 359.473 3.877 50 0 FHAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)C[NH+]1CCCCC1 ZINC000015077989 570832540 /nfs/dbraw/zinc/83/25/40/570832540.db2.gz PIVBOODPABVORM-UHFFFAOYSA-N 1 0 353.466 3.593 50 0 FHAARO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21)c1ccc2c(c1)OCO2 ZINC000015291680 570836800 /nfs/dbraw/zinc/83/68/00/570836800.db2.gz OYELSPUMAYANNP-HNAYVOBHSA-N 1 0 366.461 3.602 50 0 FHAARO Cc1cc2ccccc2n1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015425587 570838666 /nfs/dbraw/zinc/83/86/66/570838666.db2.gz OJCNETZEUYANCX-UHFFFAOYSA-N 1 0 361.489 3.731 50 0 FHAARO C[NH+]1CCN(c2ccccc2NC(=O)CCSc2ccccc2)CC1 ZINC000015519999 570839940 /nfs/dbraw/zinc/83/99/40/570839940.db2.gz YFXRPUAGVBTWEV-UHFFFAOYSA-N 1 0 355.507 3.559 50 0 FHAARO Brc1ccc(OCCSC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000014196656 570845308 /nfs/dbraw/zinc/84/53/08/570845308.db2.gz PPILQTAUVKFEMP-OKILXGFUSA-N 1 0 355.301 3.832 50 0 FHAARO Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000015860040 570846012 /nfs/dbraw/zinc/84/60/12/570846012.db2.gz NOWXFLFSCKHSIQ-IBGZPJMESA-N 1 0 356.466 3.619 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)[NH+]2CCCC2)o1 ZINC000015860254 570846686 /nfs/dbraw/zinc/84/66/86/570846686.db2.gz JMOFIIZPZZTLFV-SFHVURJKSA-N 1 0 356.466 3.537 50 0 FHAARO C[NH+](C)Cc1ccc(CNC(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000016102353 570850461 /nfs/dbraw/zinc/85/04/61/570850461.db2.gz YYXSDGBLPZDGPB-UHFFFAOYSA-N 1 0 361.445 3.866 50 0 FHAARO CC(C)[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000016338658 570854795 /nfs/dbraw/zinc/85/47/95/570854795.db2.gz KQZOXWFPCZBAEO-HRAATJIYSA-N 1 0 360.498 3.536 50 0 FHAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[NH+]1CCCCC1 ZINC000016603508 570858550 /nfs/dbraw/zinc/85/85/50/570858550.db2.gz DFMLVARZAVQSKO-UHFFFAOYSA-N 1 0 365.836 3.658 50 0 FHAARO Cc1cc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)ccc1C(C)C ZINC000019607608 570896265 /nfs/dbraw/zinc/89/62/65/570896265.db2.gz GADRZLHVVWQVPX-NRFANRHFSA-N 1 0 368.521 3.680 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)C3CCCC3)c(C(F)(F)F)c2)CC1 ZINC000044796605 570899441 /nfs/dbraw/zinc/89/94/41/570899441.db2.gz AJPHTDOSODZOTG-UHFFFAOYSA-N 1 0 355.404 3.586 50 0 FHAARO CC(C)CC[N@@H+]1CCC[C@@H]1c1ccc(C(=O)NCCn2ccnc2)s1 ZINC000019743188 570901735 /nfs/dbraw/zinc/90/17/35/570901735.db2.gz UKTSEHPUVGCVRC-MRXNPFEDSA-N 1 0 360.527 3.558 50 0 FHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](CO)c2cc(F)c(F)c(F)c2)C1 ZINC000108160532 570903782 /nfs/dbraw/zinc/90/37/82/570903782.db2.gz MYGPGIAZWSVKRK-NRXGSXMXSA-N 1 0 364.411 3.562 50 0 FHAARO CC(C)C[N@H+](Cc1cccs1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000046032365 570920524 /nfs/dbraw/zinc/92/05/24/570920524.db2.gz TZOBERQCJNJFRZ-UHFFFAOYSA-N 1 0 374.535 3.748 50 0 FHAARO CCCCc1nn2c(nc(C[N@H+](CC)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032202 570920554 /nfs/dbraw/zinc/92/05/54/570920554.db2.gz HBCMLETUYPCTFB-UHFFFAOYSA-N 1 0 374.485 3.655 50 0 FHAARO Cn1nc2c(c1NC(=O)c1ccc([C@H]3CCC[N@@H+]3C3CCC3)s1)CCC2 ZINC000020862181 570926132 /nfs/dbraw/zinc/92/61/32/570926132.db2.gz QEKYVHCYWIKCTH-MRXNPFEDSA-N 1 0 370.522 3.912 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(-n2cccc2)c1 ZINC000020903665 570926631 /nfs/dbraw/zinc/92/66/31/570926631.db2.gz PTXQQWYVEDNNAD-UHFFFAOYSA-N 1 0 359.473 3.872 50 0 FHAARO CCCCOCCC[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020933966 570927215 /nfs/dbraw/zinc/92/72/15/570927215.db2.gz ZAENKAHJUIKVBW-UHFFFAOYSA-N 1 0 360.292 3.763 50 0 FHAARO COc1ccc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1O ZINC000020999170 570927857 /nfs/dbraw/zinc/92/78/57/570927857.db2.gz LGJJOGVULOYWJH-HXUWFJFHSA-N 1 0 354.494 3.540 50 0 FHAARO CC1(C)CC(NC(=O)CCc2ncc(-c3ccccc3F)o2)CC(C)(C)[NH2+]1 ZINC000021473111 570930970 /nfs/dbraw/zinc/93/09/70/570930970.db2.gz HQXCLGDHTRKQLK-UHFFFAOYSA-N 1 0 373.472 3.839 50 0 FHAARO Cn1ccnc1[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1 ZINC000021600937 570931924 /nfs/dbraw/zinc/93/19/24/570931924.db2.gz QSUMDFGICLKQHG-DOMZBBRYSA-N 1 0 372.683 3.863 50 0 FHAARO S=c1oc(-c2ccccc2)nn1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022029744 570937695 /nfs/dbraw/zinc/93/76/95/570937695.db2.gz ONVSVBRUYFMQPZ-UHFFFAOYSA-N 1 0 366.490 3.648 50 0 FHAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000022800194 570950220 /nfs/dbraw/zinc/95/02/20/570950220.db2.gz MWXLFVMZSCMTSG-HKUYNNGSSA-N 1 0 355.482 3.814 50 0 FHAARO CCCCc1nc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c[nH]1 ZINC000022851472 570951267 /nfs/dbraw/zinc/95/12/67/570951267.db2.gz CXDMHSQWIWGAJY-NRFANRHFSA-N 1 0 354.542 3.891 50 0 FHAARO Cc1noc([C@@H](C)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022931572 570953330 /nfs/dbraw/zinc/95/33/30/570953330.db2.gz DKPMXUXAYFVORH-QGZVFWFLSA-N 1 0 362.477 3.846 50 0 FHAARO O=C(CCc1ccccc1)NC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000048374553 570954120 /nfs/dbraw/zinc/95/41/20/570954120.db2.gz XIVFHMWUSCGNPG-UHFFFAOYSA-N 1 0 373.500 3.948 50 0 FHAARO O=C1CCCN1c1cccc(N2CCC([NH2+]C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000023145752 570957579 /nfs/dbraw/zinc/95/75/79/570957579.db2.gz YFGXQJMFJNSPLO-QYZOEREBSA-N 1 0 365.521 3.584 50 0 FHAARO C[N@H+](Cc1ccno1)C1CCN(c2ccc(-c3cscn3)cc2)CC1 ZINC000023367591 570962203 /nfs/dbraw/zinc/96/22/03/570962203.db2.gz URCIABXZBVIUOL-UHFFFAOYSA-N 1 0 354.479 3.899 50 0 FHAARO OCC[C@@H]1CN(C/C=C/c2ccc(F)cc2)CC[N@@H+]1CC1CCCCC1 ZINC000023360311 570962303 /nfs/dbraw/zinc/96/23/03/570962303.db2.gz PINSUWQOKRITLS-ZMTJCJBESA-N 1 0 360.517 3.788 50 0 FHAARO CC(C)C[N@@H+]1CCO[C@@H](CSc2ncnc3c4ccccc4oc32)C1 ZINC000023844357 570967868 /nfs/dbraw/zinc/96/78/68/570967868.db2.gz LAZYFSZXNNIGQK-CQSZACIVSA-N 1 0 357.479 3.825 50 0 FHAARO O=C(c1ccccc1Cc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086639 570971121 /nfs/dbraw/zinc/97/11/21/570971121.db2.gz GUQZXYNSEQRTOJ-UHFFFAOYSA-N 1 0 357.457 3.635 50 0 FHAARO CC[NH+]1CCC(NC(=O)NCCC(c2ccccc2)c2ccccc2)CC1 ZINC000024637149 570978880 /nfs/dbraw/zinc/97/88/80/570978880.db2.gz LHGDWJLLIZEYIV-UHFFFAOYSA-N 1 0 365.521 3.992 50 0 FHAARO COC(=O)c1cccn1C1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000072230335 570983030 /nfs/dbraw/zinc/98/30/30/570983030.db2.gz DOPOSGVFBOALRE-UHFFFAOYSA-N 1 0 362.857 3.774 50 0 FHAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H]2CCSc3ccc(Cl)cc32)no1 ZINC000025217027 570992531 /nfs/dbraw/zinc/99/25/31/570992531.db2.gz VTOZEWGSHHXBTO-MFKMUULPSA-N 1 0 351.859 3.790 50 0 FHAARO COc1ccc2nc(C)c(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cc2c1 ZINC000025814043 571000918 /nfs/dbraw/zinc/00/09/18/571000918.db2.gz IRDFBESCTHFLFU-IBGZPJMESA-N 1 0 369.490 3.646 50 0 FHAARO Cc1[nH]c2ccccc2c1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027931741 571022890 /nfs/dbraw/zinc/02/28/90/571022890.db2.gz SMMHNEPYVQONHP-UHFFFAOYSA-N 1 0 361.489 3.913 50 0 FHAARO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1C ZINC000027964309 571023217 /nfs/dbraw/zinc/02/32/17/571023217.db2.gz JLTVFLLALZUPIA-UHFFFAOYSA-N 1 0 356.510 3.649 50 0 FHAARO C[NH+]1CCN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)CC1 ZINC000027985445 571024570 /nfs/dbraw/zinc/02/45/70/571024570.db2.gz UHGYUKKJYDQXQE-UHFFFAOYSA-N 1 0 371.444 3.704 50 0 FHAARO CCc1ccc([C@@H](CNC(=O)c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000028293175 571030921 /nfs/dbraw/zinc/03/09/21/571030921.db2.gz MXDNVBZLSVXYKI-HXUWFJFHSA-N 1 0 352.478 3.825 50 0 FHAARO CCc1ccc([C@@H](CNC(=O)c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000028293142 571030968 /nfs/dbraw/zinc/03/09/68/571030968.db2.gz FUPASGDALDCNNX-OAQYLSRUSA-N 1 0 352.478 3.825 50 0 FHAARO CN(C)[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccsc1 ZINC000028926533 571035453 /nfs/dbraw/zinc/03/54/53/571035453.db2.gz ARWPXVYITDBBSP-INIZCTEOSA-N 1 0 366.914 3.955 50 0 FHAARO O=C(COc1ccc2ccccc2c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008389092 571043380 /nfs/dbraw/zinc/04/33/80/571043380.db2.gz AWDIARUJWCAVJS-OAQYLSRUSA-N 1 0 360.457 3.609 50 0 FHAARO COc1ccc(Cl)cc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000038629326 571047476 /nfs/dbraw/zinc/04/74/76/571047476.db2.gz AXHYHAIDXRDCOY-CYBMUJFWSA-N 1 0 353.875 3.835 50 0 FHAARO Cc1ccc(CNC(=O)C[N@@H+](C2CCC(C)CC2)C2CCC(O)CC2)cc1 ZINC000072308673 571065957 /nfs/dbraw/zinc/06/59/57/571065957.db2.gz LHEWDMLEFVOLHN-UHFFFAOYSA-N 1 0 372.553 3.795 50 0 FHAARO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(Sc2ccccn2)CC1 ZINC000072308936 571067005 /nfs/dbraw/zinc/06/70/05/571067005.db2.gz ZHUPNSNLCLAXBB-DLBZAZTESA-N 1 0 361.555 3.818 50 0 FHAARO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3CC34CCCC4)cc2)CC1 ZINC000072310261 571070704 /nfs/dbraw/zinc/07/07/04/571070704.db2.gz JKDGTLKNLXKTRU-FQEVSTJZSA-N 1 0 355.526 3.983 50 0 FHAARO CC[C@@H](CNC(=O)CCC(=O)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000040081362 571073714 /nfs/dbraw/zinc/07/37/14/571073714.db2.gz LFHAEWKXHJKGOP-NRFANRHFSA-N 1 0 364.489 3.603 50 0 FHAARO COc1ccc(CC[NH3+])cc1-c1cc(NCc2cccnc2)nc2[nH]ccc21 ZINC000072429347 571073733 /nfs/dbraw/zinc/07/37/33/571073733.db2.gz OBEOMOCESGPMCM-UHFFFAOYSA-N 1 0 373.460 3.747 50 0 FHAARO COc1ccc(OC)c2c1CN(c1cc(C)[nH+]c3ccccc31)C[C@H]2O ZINC000012753832 571077424 /nfs/dbraw/zinc/07/74/24/571077424.db2.gz HGMPWKBENOGLRV-GOSISDBHSA-N 1 0 350.418 3.614 50 0 FHAARO COc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC000040106806 571077715 /nfs/dbraw/zinc/07/77/15/571077715.db2.gz SNLVNZWWWDIHDK-UHFFFAOYSA-N 1 0 366.505 3.786 50 0 FHAARO Cc1ccnn1-c1ccc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000040108510 571078534 /nfs/dbraw/zinc/07/85/34/571078534.db2.gz MSSGMHBFLMPHOW-HDICACEKSA-N 1 0 368.525 3.669 50 0 FHAARO C[C@@H]1CCC[C@H](OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000229428780 571093929 /nfs/dbraw/zinc/09/39/29/571093929.db2.gz ASHCZBLTJLUGOC-JYRKZWEQSA-N 1 0 358.526 3.751 50 0 FHAARO CCOc1ccccc1OCC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000015617265 571095072 /nfs/dbraw/zinc/09/50/72/571095072.db2.gz IMTGSYVHBZFKBO-UHFFFAOYSA-N 1 0 370.493 3.622 50 0 FHAARO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000012777497 571096956 /nfs/dbraw/zinc/09/69/56/571096956.db2.gz JWDGLKJAHHKIRI-YWZLYKJASA-N 1 0 356.441 3.849 50 0 FHAARO O=C(NCCC[NH+]1CCCCC1)c1noc2c1CSc1ccccc1-2 ZINC000015674057 571101893 /nfs/dbraw/zinc/10/18/93/571101893.db2.gz MGZIWPAWSADVDK-UHFFFAOYSA-N 1 0 357.479 3.553 50 0 FHAARO Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044852648 571103191 /nfs/dbraw/zinc/10/31/91/571103191.db2.gz WVAKATXIRNBGPC-SFHVURJKSA-N 1 0 352.478 3.788 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cc(Cl)cc(Cl)c3)[C@H]1C[C@H](OCCO)CC2 ZINC000426640558 571105177 /nfs/dbraw/zinc/10/51/77/571105177.db2.gz UWQBZCLUSGYXGA-FGTMMUONSA-N 1 0 374.308 3.514 50 0 FHAARO CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000239619610 571108700 /nfs/dbraw/zinc/10/87/00/571108700.db2.gz BFTGHGPKNRVJGT-QFBILLFUSA-N 1 0 355.482 3.781 50 0 FHAARO Cc1cccc(C[N@H+](CCC(=O)NC2CCCCC2)C[C@@H]2CCCO2)c1 ZINC000240825180 571109225 /nfs/dbraw/zinc/10/92/25/571109225.db2.gz QNWCUNDCCBSJQA-NRFANRHFSA-N 1 0 358.526 3.815 50 0 FHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000012809302 571111825 /nfs/dbraw/zinc/11/18/25/571111825.db2.gz MXSDMUFGRFRLKY-INIZCTEOSA-N 1 0 364.367 3.590 50 0 FHAARO COc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000243901322 571112707 /nfs/dbraw/zinc/11/27/07/571112707.db2.gz BBHPLIVLMMIPSC-OAHLLOKOSA-N 1 0 372.490 3.680 50 0 FHAARO CCc1cc2c(C[N@H+](C)CCOc3ccccc3F)cc(=O)oc2cc1O ZINC000012810524 571112836 /nfs/dbraw/zinc/11/28/36/571112836.db2.gz OMAHNZDGGSYFHI-UHFFFAOYSA-N 1 0 371.408 3.711 50 0 FHAARO CCn1c(CN(C)CCC23CC4CC(CC(C4)C2)C3)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243919612 571112907 /nfs/dbraw/zinc/11/29/07/571112907.db2.gz BPSPDSJHUHTIOE-CAZKFNJPSA-N 1 0 371.573 3.541 50 0 FHAARO O=C(CC[NH+]1CCC([C@@H](O)c2ccccn2)CC1)Nc1cccc(Cl)c1 ZINC000243919581 571113112 /nfs/dbraw/zinc/11/31/12/571113112.db2.gz BPFNOYMXZZHYKG-HXUWFJFHSA-N 1 0 373.884 3.509 50 0 FHAARO CN(Cc1ccccc1)C(=O)CC[NH+]1CCC(c2cccc(O)c2)CC1 ZINC000244575002 571113626 /nfs/dbraw/zinc/11/36/26/571113626.db2.gz CUYWXCGDBODIEX-UHFFFAOYSA-N 1 0 352.478 3.620 50 0 FHAARO COc1ccc(OC)c(CN2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000054992001 571115278 /nfs/dbraw/zinc/11/52/78/571115278.db2.gz UBPOCWQFOXLSCL-UHFFFAOYSA-N 1 0 354.494 3.800 50 0 FHAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cccc(C)n3)C2)cc1 ZINC000055099270 571116094 /nfs/dbraw/zinc/11/60/94/571116094.db2.gz XHDUPSYTERWVQT-OAQYLSRUSA-N 1 0 367.537 3.785 50 0 FHAARO Cc1cc(C)n(-c2ccc(NC(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)cc2)n1 ZINC000244852502 571117715 /nfs/dbraw/zinc/11/77/15/571117715.db2.gz UTNXLGFIEFVSKJ-MRXNPFEDSA-N 1 0 367.497 3.580 50 0 FHAARO CCC[NH+](CCC)Cc1ccc(C(=O)N[C@H](C)c2cnn(C)c2C)cc1 ZINC000055212109 571117889 /nfs/dbraw/zinc/11/78/89/571117889.db2.gz HUZXPQCZYWVDIC-MRXNPFEDSA-N 1 0 356.514 3.842 50 0 FHAARO Cc1cccc(-c2ncc(C[NH2+]Cc3ccccc3-n3cccn3)cn2)c1 ZINC000055211744 571117936 /nfs/dbraw/zinc/11/79/36/571117936.db2.gz ZTDLLWNTNRENCG-UHFFFAOYSA-N 1 0 355.445 3.928 50 0 FHAARO CCOc1cc(C[NH2+]Cc2[nH]cc(C)c(=O)c2C)cc(Cl)c1OCC ZINC000055244641 571118435 /nfs/dbraw/zinc/11/84/35/571118435.db2.gz MNUPFWCSOPGOMH-UHFFFAOYSA-N 1 0 364.873 3.732 50 0 FHAARO C[N@H+](C[C@H]1CCCN(CCc2ccccc2F)C1)C1CCSCC1 ZINC000055244257 571118448 /nfs/dbraw/zinc/11/84/48/571118448.db2.gz OSRWTTKQWWVUQZ-QGZVFWFLSA-N 1 0 350.547 3.908 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC000055568935 571121082 /nfs/dbraw/zinc/12/10/82/571121082.db2.gz FKDYDQQBDHCFRC-FQEVSTJZSA-N 1 0 361.424 3.943 50 0 FHAARO C[NH2+]CCCNCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000057263116 571122283 /nfs/dbraw/zinc/12/22/83/571122283.db2.gz IPPSIYDSVTXVEP-UHFFFAOYSA-N 1 0 366.864 3.766 50 0 FHAARO CC(C)CC[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1CCO ZINC000104335829 571126179 /nfs/dbraw/zinc/12/61/79/571126179.db2.gz GBCWBDOTRGFMKJ-GOSISDBHSA-N 1 0 358.448 3.620 50 0 FHAARO CC(C)C[N@@H+]1CCN(CC(c2ccccc2)c2ccccc2)C[C@H]1CCO ZINC000104422897 571126197 /nfs/dbraw/zinc/12/61/97/571126197.db2.gz NOSDIDBCQSZZSG-HSZRJFAPSA-N 1 0 366.549 3.843 50 0 FHAARO CC[NH+](CC)CCn1cc(NC(=O)c2cccc(Cl)c2Cl)cn1 ZINC000058163185 571126636 /nfs/dbraw/zinc/12/66/36/571126636.db2.gz GILITQVIBMDWLV-UHFFFAOYSA-N 1 0 355.269 3.784 50 0 FHAARO CC(=O)Nc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)cc1 ZINC000058176723 571127297 /nfs/dbraw/zinc/12/72/97/571127297.db2.gz UDARDGYDBFRYCI-OLZOCXBDSA-N 1 0 359.857 3.976 50 0 FHAARO O=C(c1cc(Cl)cc2cccnc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000058194290 571128083 /nfs/dbraw/zinc/12/80/83/571128083.db2.gz SIMBSAAZTMXABL-UHFFFAOYSA-N 1 0 357.885 3.979 50 0 FHAARO Cc1ccc(CNC(=O)c2c3ccccc3nc3c2CN(C)CC3)cc1F ZINC000012848541 571128347 /nfs/dbraw/zinc/12/83/47/571128347.db2.gz XOTNWIIRUWIPFT-UHFFFAOYSA-N 1 0 363.436 3.600 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCSc2ccccc2)C1 ZINC000058202201 571128833 /nfs/dbraw/zinc/12/88/33/571128833.db2.gz KJWXXBNOBQNZNW-HDICACEKSA-N 1 0 363.571 3.836 50 0 FHAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccccc1CO ZINC000058216926 571129439 /nfs/dbraw/zinc/12/94/39/571129439.db2.gz CJMWEMCIZZCDDV-UHFFFAOYSA-N 1 0 357.404 3.549 50 0 FHAARO C[C@](O)(COc1ccccc1)c1ccc2c(c1)C[N@H+](C1CCC1)CCO2 ZINC000015067274 571129489 /nfs/dbraw/zinc/12/94/89/571129489.db2.gz SWIOUJHPPCIQAY-QFIPXVFZSA-N 1 0 353.462 3.720 50 0 FHAARO O=C(CC[N@@H+]1CCCC[C@@H]1CCn1cccn1)Nc1ccccc1Cl ZINC000252499111 571133487 /nfs/dbraw/zinc/13/34/87/571133487.db2.gz RVPBXYMPPKXQJB-MRXNPFEDSA-N 1 0 360.889 3.810 50 0 FHAARO COCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000015862317 571138447 /nfs/dbraw/zinc/13/84/47/571138447.db2.gz CNZBMKYIONUOLU-UHFFFAOYSA-N 1 0 354.425 3.624 50 0 FHAARO CCn1cc(C[NH2+][C@H](C)c2cnc(N(C)C3CCCCC3)nc2C)cn1 ZINC000064131733 571140629 /nfs/dbraw/zinc/14/06/29/571140629.db2.gz KLRXPPRZKVTEIZ-OAHLLOKOSA-N 1 0 356.518 3.621 50 0 FHAARO Cc1ccsc1CNc1ccccc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000065374315 571142024 /nfs/dbraw/zinc/14/20/24/571142024.db2.gz JFDYZOWFUDZOEF-INIZCTEOSA-N 1 0 357.523 3.870 50 0 FHAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2cccn2-c2cccnc2)C[C@H]1O ZINC000065383987 571142378 /nfs/dbraw/zinc/14/23/78/571142378.db2.gz RNXLZPBGLUXCKI-RTBURBONSA-N 1 0 353.491 3.593 50 0 FHAARO Cc1cc(C)c2oc(=O)cc(C[N@H+](C)CC[C@@H](O)c3ccccc3)c2c1 ZINC000065380799 571142591 /nfs/dbraw/zinc/14/25/91/571142591.db2.gz ZRJPMBZFHNBUGN-HXUWFJFHSA-N 1 0 351.446 3.965 50 0 FHAARO Cc1ccsc1[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2)CC1)N(C)C ZINC000065396790 571142737 /nfs/dbraw/zinc/14/27/37/571142737.db2.gz QCEONGDRPQXBPH-LJQANCHMSA-N 1 0 371.550 3.554 50 0 FHAARO CC[C@H](c1cccnc1)[N@H+](C)Cc1ccc(C(=O)Nc2ccnn2C)cc1 ZINC000065430073 571143394 /nfs/dbraw/zinc/14/33/94/571143394.db2.gz DXKDJBJFRLAYNJ-LJQANCHMSA-N 1 0 363.465 3.651 50 0 FHAARO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000012904173 571143447 /nfs/dbraw/zinc/14/34/47/571143447.db2.gz ZKNXELADMUUNSD-OAHLLOKOSA-N 1 0 352.261 3.791 50 0 FHAARO CC(C)C(=O)N1CCC([NH2+]C[C@H](c2ccccc2)N2CCCCCC2)CC1 ZINC000065435124 571143881 /nfs/dbraw/zinc/14/38/81/571143881.db2.gz BPCVDKPWQNGQMU-JOCHJYFZSA-N 1 0 371.569 3.840 50 0 FHAARO Cc1c(C[N@H+](C)[C@H]2CCCc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000065470622 571144100 /nfs/dbraw/zinc/14/41/00/571144100.db2.gz MFTOBIHSYDHJCN-QFIPXVFZSA-N 1 0 361.489 3.994 50 0 FHAARO c1cnn(CCc2c(-c3ccccc3)ncn2CCCC[NH+]2CCCC2)c1 ZINC000065489318 571144174 /nfs/dbraw/zinc/14/41/74/571144174.db2.gz MIWDELHYRUPMDN-UHFFFAOYSA-N 1 0 363.509 3.865 50 0 FHAARO COc1cc2c(cc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1)O[C@H](C)C2 ZINC000025355202 571144621 /nfs/dbraw/zinc/14/46/21/571144621.db2.gz XMPLALCPPFBONS-APWZRJJASA-N 1 0 370.493 3.928 50 0 FHAARO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C)sc2n1 ZINC000021944780 571144874 /nfs/dbraw/zinc/14/48/74/571144874.db2.gz XMRTVQHWRQZIHK-UHFFFAOYSA-N 1 0 362.886 3.525 50 0 FHAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000067514001 571146977 /nfs/dbraw/zinc/14/69/77/571146977.db2.gz YAXKQZBSAYCNKH-ZDUSSCGKSA-N 1 0 354.372 3.873 50 0 FHAARO C[NH2+]CCCNc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cn1 ZINC000067741879 571148994 /nfs/dbraw/zinc/14/89/94/571148994.db2.gz DFNIIETWEYJAGP-LJQANCHMSA-N 1 0 366.509 3.513 50 0 FHAARO c1cc(CN2CCc3nc[nH]c3[C@H]2c2ccsc2)n(-c2cc[nH+]cc2)c1 ZINC000067755344 571149318 /nfs/dbraw/zinc/14/93/18/571149318.db2.gz ARWUCUUKHHHCRE-HXUWFJFHSA-N 1 0 361.474 3.805 50 0 FHAARO COc1ccc(-c2nc(CN3CCC([NH+](C)C)CC3)c(C)o2)c(OC)c1C ZINC000067834096 571150034 /nfs/dbraw/zinc/15/00/34/571150034.db2.gz OJKUJOWWGGLYPG-UHFFFAOYSA-N 1 0 373.497 3.502 50 0 FHAARO Cc1ccccc1CN(C)C(=O)c1cc(CN(C)Cc2ccccc2)on1 ZINC000067847449 571150578 /nfs/dbraw/zinc/15/05/78/571150578.db2.gz QSEICSJOJKECIL-UHFFFAOYSA-N 1 0 363.461 3.887 50 0 FHAARO C[N@@H+]1Cc2ccccc2C[C@H]1Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1 ZINC000067885982 571151077 /nfs/dbraw/zinc/15/10/77/571151077.db2.gz AASNUTUXJRGCHC-FQEVSTJZSA-N 1 0 369.472 3.997 50 0 FHAARO C[N@@H+]1Cc2ccccc2C[C@@H]1Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1 ZINC000067885980 571151178 /nfs/dbraw/zinc/15/11/78/571151178.db2.gz AASNUTUXJRGCHC-HXUWFJFHSA-N 1 0 369.472 3.997 50 0 FHAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](CCc1cn[nH]c1)C2 ZINC000067947845 571152603 /nfs/dbraw/zinc/15/26/03/571152603.db2.gz JLLZIWUSWUENKT-UHFFFAOYSA-N 1 0 369.852 3.873 50 0 FHAARO O=C(CCn1ccc2ccccc21)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000075107485 571155535 /nfs/dbraw/zinc/15/55/35/571155535.db2.gz CQKJITGFELZOGO-SZPZYZBQSA-N 1 0 373.500 3.622 50 0 FHAARO CC[NH+](CC)[C@@H](C(=O)Nc1cc(NC(C)=O)ccc1C)c1ccccc1 ZINC000075108851 571155693 /nfs/dbraw/zinc/15/56/93/571155693.db2.gz MYYCHNWHGXSIOU-HXUWFJFHSA-N 1 0 353.466 3.975 50 0 FHAARO COc1ccc2c(CC(=O)N(CC[NH+](C)C)Cc3cccs3)coc2c1 ZINC000075108250 571155817 /nfs/dbraw/zinc/15/58/17/571155817.db2.gz VPTAFABUJNQSBP-UHFFFAOYSA-N 1 0 372.490 3.636 50 0 FHAARO COc1cc(C[NH2+]Cc2ccc(Br)cc2)cc(OC)c1OC ZINC000001192875 571165532 /nfs/dbraw/zinc/16/55/32/571165532.db2.gz GGUKKMZUOIQIQQ-UHFFFAOYSA-N 1 0 366.255 3.765 50 0 FHAARO CSc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CNC(C)=O)C3)c(C)o2)cc1 ZINC000071422464 571161243 /nfs/dbraw/zinc/16/12/43/571161243.db2.gz NAXUFDSNXGPNMW-MRXNPFEDSA-N 1 0 373.522 3.720 50 0 FHAARO CC(C)[C@@H]1C[N@H+](CCCn2cccn2)CCCN1Cc1ccc(F)cc1 ZINC000071479626 571162373 /nfs/dbraw/zinc/16/23/73/571162373.db2.gz PRVVPORZAMGJLB-NRFANRHFSA-N 1 0 358.505 3.645 50 0 FHAARO CCO[C@@H](C)C(=O)N(CC[NH+](CC)CC)c1cccc(Br)c1 ZINC000075358117 571162469 /nfs/dbraw/zinc/16/24/69/571162469.db2.gz QSQZLINQMKBSLZ-AWEZNQCLSA-N 1 0 371.319 3.549 50 0 FHAARO CC(C)(C)c1ccc(NC(=O)NCC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000575605280 571163356 /nfs/dbraw/zinc/16/33/56/571163356.db2.gz CJVVAFHSLZOQCZ-LJQANCHMSA-N 1 0 359.514 3.607 50 0 FHAARO Cc1[nH]c2ccc(CNC(=O)c3ccc(C[NH+]4CCCC4)o3)cc2c1C ZINC000071780048 571166810 /nfs/dbraw/zinc/16/68/10/571166810.db2.gz QOYJUYSJYLNPOU-UHFFFAOYSA-N 1 0 351.450 3.904 50 0 FHAARO CCOc1ccc(C[NH2+]Cc2cccc(OCCCOC)c2)cc1OC ZINC000063913918 571167478 /nfs/dbraw/zinc/16/74/78/571167478.db2.gz HWZYQNRTWFCWNR-UHFFFAOYSA-N 1 0 359.466 3.799 50 0 FHAARO C[NH+]1CCC(Oc2ccc(NC(=O)Cc3cccc(Cl)c3)cc2)CC1 ZINC000072119371 571169988 /nfs/dbraw/zinc/16/99/88/571169988.db2.gz PDVURQFJULSAHK-UHFFFAOYSA-N 1 0 358.869 3.994 50 0 FHAARO C[NH+](C)CC(C)(C)CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072128306 571170695 /nfs/dbraw/zinc/17/06/95/571170695.db2.gz YTZUJTDEPXUGDE-UHFFFAOYSA-N 1 0 358.448 3.577 50 0 FHAARO Oc1cccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000072130603 571171092 /nfs/dbraw/zinc/17/10/92/571171092.db2.gz UBODRLCVIXIQPS-UHFFFAOYSA-N 1 0 351.368 3.895 50 0 FHAARO CC1(C)[C@@H]2C[C@H]1C(CCNc1nc(-c3ccncc3)nc3c1C[NH2+]C3)=CC2 ZINC000072135512 571171377 /nfs/dbraw/zinc/17/13/77/571171377.db2.gz HINDSXZOIFMZCO-WMZOPIPTSA-N 1 0 361.493 3.936 50 0 FHAARO Cc1c2ccccc2oc1CNc1nc(-c2cccnc2)nc2c1C[NH2+]C2 ZINC000072133208 571171482 /nfs/dbraw/zinc/17/14/82/571171482.db2.gz LLVNKIGWLLFCHN-UHFFFAOYSA-N 1 0 357.417 3.809 50 0 FHAARO CC(C)c1nc(CNC(=O)c2ccc(C[C@@H]3CCC[NH2+]C3)cc2)cs1 ZINC000072141603 571171950 /nfs/dbraw/zinc/17/19/50/571171950.db2.gz HMDXUPHRJVNSSM-INIZCTEOSA-N 1 0 357.523 3.739 50 0 FHAARO C[C@@H](C[N@H+](C)C(C)(C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001837315 571172576 /nfs/dbraw/zinc/17/25/76/571172576.db2.gz XCLBRBKORPURBG-KRWDZBQOSA-N 1 0 355.478 3.585 50 0 FHAARO COc1coc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)cc1=O ZINC000072144872 571172707 /nfs/dbraw/zinc/17/27/07/571172707.db2.gz VEAQMNHTJHVFIY-HNNXBMFYSA-N 1 0 363.404 3.771 50 0 FHAARO COc1cccc(OC[C@H]2CCC[N@H+](Cc3ccnc(C(C)C)n3)C2)c1 ZINC000072147928 571173676 /nfs/dbraw/zinc/17/36/76/571173676.db2.gz PVHFXCWQLFGSJL-KRWDZBQOSA-N 1 0 355.482 3.900 50 0 FHAARO Cc1cccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000072154366 571175028 /nfs/dbraw/zinc/17/50/28/571175028.db2.gz MSSUHMQLEGNQHE-UHFFFAOYSA-N 1 0 350.384 3.892 50 0 FHAARO COc1cccc(OC2CN(Cc3cc(C[NH+]4CCCC4)cs3)C2)c1 ZINC000072156886 571175083 /nfs/dbraw/zinc/17/50/83/571175083.db2.gz WZTOZOWKLAIPIX-UHFFFAOYSA-N 1 0 358.507 3.616 50 0 FHAARO CN(C)C(=O)CC[C@H]1CCC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000072158273 571175437 /nfs/dbraw/zinc/17/54/37/571175437.db2.gz LBDMKADFQMGXPS-GOSISDBHSA-N 1 0 351.494 3.829 50 0 FHAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](OCc2ccccn2)C1 ZINC000072167782 571177002 /nfs/dbraw/zinc/17/70/02/571177002.db2.gz XREMSWSXBNDOQQ-QFIPXVFZSA-N 1 0 362.477 3.757 50 0 FHAARO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)s1 ZINC000072170550 571177456 /nfs/dbraw/zinc/17/74/56/571177456.db2.gz RMBDQUKKIGJAAQ-AWEZNQCLSA-N 1 0 355.511 3.540 50 0 FHAARO [NH3+][C@@H]1CCCN(C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072172445 571177804 /nfs/dbraw/zinc/17/78/04/571177804.db2.gz LKXJXGBTMIDXGO-CYBMUJFWSA-N 1 0 369.412 3.782 50 0 FHAARO CCOc1ccccc1CNC(=O)CCc1ccc2[nH]c(CC)nc2c1 ZINC000075465571 571186144 /nfs/dbraw/zinc/18/61/44/571186144.db2.gz USGKCVAAWNRSBS-UHFFFAOYSA-N 1 0 351.450 3.773 50 0 FHAARO Cc1cccn2cc(CNC(=O)c3ccc([C@H](C)[NH+]4CCCCC4)o3)nc12 ZINC000299757849 571192609 /nfs/dbraw/zinc/19/26/09/571192609.db2.gz KNWYMXJHWYCMLY-INIZCTEOSA-N 1 0 366.465 3.713 50 0 FHAARO O=C(N[C@H]1CC[C@H]1[NH2+]C1CCOCC1)c1ccccc1-c1ccccc1F ZINC000072419793 571192975 /nfs/dbraw/zinc/19/29/75/571192975.db2.gz MYWTVXQTCHDRRX-RTWAWAEBSA-N 1 0 368.452 3.522 50 0 FHAARO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCCc2cscn2)c1 ZINC000299765118 571194625 /nfs/dbraw/zinc/19/46/25/571194625.db2.gz WGYNSSPPFQYFKA-HNNXBMFYSA-N 1 0 358.511 3.882 50 0 FHAARO O=C(Cc1ccccc1)[C@H]1CCC[N@H+](Cc2cnc(-c3ccco3)nc2)C1 ZINC000072434231 571196304 /nfs/dbraw/zinc/19/63/04/571196304.db2.gz VLICYVWVVNGIQE-IBGZPJMESA-N 1 0 361.445 3.760 50 0 FHAARO CCc1nc(C)ccc1OCC(=O)N[C@H]1CC[C@H]1[NH2+]C1CCCCCCC1 ZINC000072435476 571196351 /nfs/dbraw/zinc/19/63/51/571196351.db2.gz MVDPSRKFRXLPPG-UXHICEINSA-N 1 0 373.541 3.681 50 0 FHAARO O[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000072438530 571196848 /nfs/dbraw/zinc/19/68/48/571196848.db2.gz ZBWXUAMKJDMDCJ-QHCPKHFHSA-N 1 0 361.489 3.688 50 0 FHAARO CCCc1cc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n2nccc2n1 ZINC000072447637 571197064 /nfs/dbraw/zinc/19/70/64/571197064.db2.gz LKGRSVRMXACRPU-IBGZPJMESA-N 1 0 363.509 3.640 50 0 FHAARO Cc1cc(N2CCCN(C(=O)Nc3ccc4scnc4c3)CC2)cc[nH+]1 ZINC000299777090 571197077 /nfs/dbraw/zinc/19/70/77/571197077.db2.gz INVYSGVOSQETGO-UHFFFAOYSA-N 1 0 367.478 3.744 50 0 FHAARO CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(c2ccnc(C)n2)CC1 ZINC000299778765 571197203 /nfs/dbraw/zinc/19/72/03/571197203.db2.gz HLDRQSOIPRPQHY-FQEVSTJZSA-N 1 0 352.482 3.690 50 0 FHAARO c1cn(Cc2ccc(-c3ccccc3)cc2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072454071 571197232 /nfs/dbraw/zinc/19/72/32/571197232.db2.gz CAKRHZJEGSHYTL-UHFFFAOYSA-N 1 0 369.472 3.955 50 0 FHAARO Cc1cc2nc(CNC(=O)CCC[NH+]3Cc4ccccc4C3)[nH]c2cc1C ZINC000299779194 571197514 /nfs/dbraw/zinc/19/75/14/571197514.db2.gz DKPBZLOEIQXCBL-UHFFFAOYSA-N 1 0 362.477 3.592 50 0 FHAARO O=C(Nc1ccc(/C=C/c2ccccn2)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000299779385 571197725 /nfs/dbraw/zinc/19/77/25/571197725.db2.gz NMCRAZDSRLLIGF-QNBZTBGESA-N 1 0 362.477 3.859 50 0 FHAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)c1c(F)ccc(F)c1F ZINC000299780389 571198053 /nfs/dbraw/zinc/19/80/53/571198053.db2.gz NHVCJSQONMRTMM-UHFFFAOYSA-N 1 0 362.395 3.713 50 0 FHAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cccc(-c2ccncc2)c1 ZINC000299781928 571198202 /nfs/dbraw/zinc/19/82/02/571198202.db2.gz DFZPISJSVBJWOM-HSZRJFAPSA-N 1 0 371.484 3.968 50 0 FHAARO CC(C)(O)CCc1ccc(C(=O)N2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000072476913 571199199 /nfs/dbraw/zinc/19/91/99/571199199.db2.gz SJEQACFOTBMBCN-UHFFFAOYSA-N 1 0 372.553 3.871 50 0 FHAARO C[C@]([NH3+])(C(=O)Nc1cnc2c(c1)CCCC2)c1ccc(Br)cc1 ZINC000571167162 571199182 /nfs/dbraw/zinc/19/91/82/571199182.db2.gz MUVSYMBCERNPNE-GOSISDBHSA-N 1 0 374.282 3.536 50 0 FHAARO Cc1ncn(CC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C(C)C)c1C ZINC000299787847 571199807 /nfs/dbraw/zinc/19/98/07/571199807.db2.gz RVMSCWTZFBOUGY-OAQYLSRUSA-N 1 0 350.466 3.763 50 0 FHAARO CCc1nc(CCNC(=O)c2ccc([C@@H](C)[NH+]3CCCCC3)o2)cs1 ZINC000299790345 571200421 /nfs/dbraw/zinc/20/04/21/571200421.db2.gz OTKWKDHNCYVVFH-CQSZACIVSA-N 1 0 361.511 3.818 50 0 FHAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000075572647 571200891 /nfs/dbraw/zinc/20/08/91/571200891.db2.gz KPPPELVEAATHGW-KRWDZBQOSA-N 1 0 369.415 3.861 50 0 FHAARO CCCc1nc(C(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000299792265 571201327 /nfs/dbraw/zinc/20/13/27/571201327.db2.gz DVTYVVNTQKTACY-KRWDZBQOSA-N 1 0 357.523 3.738 50 0 FHAARO CSCc1ccc(-c2ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc2)nc1 ZINC000534579679 571204867 /nfs/dbraw/zinc/20/48/67/571204867.db2.gz AOPJHCPYVXPJQC-UHFFFAOYSA-N 1 0 371.550 3.929 50 0 FHAARO CC[C@H]([NH3+])C(=O)Nc1nn(-c2ccc(F)cc2)c2cc(OC(C)C)ccc12 ZINC000077287049 571206259 /nfs/dbraw/zinc/20/62/59/571206259.db2.gz PKIJVQGRDQCTGW-KRWDZBQOSA-N 1 0 370.428 3.628 50 0 FHAARO CCCc1cc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)n(C)n1 ZINC000077298607 571206326 /nfs/dbraw/zinc/20/63/26/571206326.db2.gz VRRLMOXIYVYDAN-HXUWFJFHSA-N 1 0 368.525 3.802 50 0 FHAARO Cn1nc(-c2cccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)c2)c2ccccc21 ZINC000534645991 571206768 /nfs/dbraw/zinc/20/67/68/571206768.db2.gz BRRBBJYPSAKIGF-RBUKOAKNSA-N 1 0 374.488 3.549 50 0 FHAARO Cc1nc(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)cs1 ZINC000077339065 571207834 /nfs/dbraw/zinc/20/78/34/571207834.db2.gz COYNOOIATCSYMR-LJQANCHMSA-N 1 0 357.523 3.728 50 0 FHAARO CCn1nc(C)cc1C(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077340384 571208090 /nfs/dbraw/zinc/20/80/90/571208090.db2.gz QROZYNJEKKYOFX-LJQANCHMSA-N 1 0 354.498 3.640 50 0 FHAARO O=C(c1cccc(-c2ccnc3ccccc32)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000534673033 571208641 /nfs/dbraw/zinc/20/86/41/571208641.db2.gz RUYJAJICAHSFNV-IBGZPJMESA-N 1 0 357.457 3.822 50 0 FHAARO Cc1noc2nc(C)nc(N(C)CC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000077377501 571209298 /nfs/dbraw/zinc/20/92/98/571209298.db2.gz BXXZBMIJXUZAAD-UHFFFAOYSA-N 1 0 365.481 3.583 50 0 FHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)o1 ZINC000077375231 571209347 /nfs/dbraw/zinc/20/93/47/571209347.db2.gz GFEPOBHEIPGRCP-QGZVFWFLSA-N 1 0 364.449 3.829 50 0 FHAARO Cc1c2cc(CNC(=O)[C@@H]3CCC[NH2+]3)ccc2[nH]c1-c1ccccc1F ZINC000077376473 571209464 /nfs/dbraw/zinc/20/94/64/571209464.db2.gz AFFIVWPUAZADNA-IBGZPJMESA-N 1 0 351.425 3.651 50 0 FHAARO Cn1ccnc1CC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000077419700 571210742 /nfs/dbraw/zinc/21/07/42/571210742.db2.gz HNESFBNWKXGQHM-NRFANRHFSA-N 1 0 363.509 3.652 50 0 FHAARO COc1ccc(-c2ccc(C[NH+]3CCC(CN4CCCC4=O)CC3)o2)cc1 ZINC000077421471 571210961 /nfs/dbraw/zinc/21/09/61/571210961.db2.gz HTRHIAVVDJAYEL-UHFFFAOYSA-N 1 0 368.477 3.790 50 0 FHAARO COc1cccc(COc2ccccc2CN2CCC[N@H+](C)C[C@H]2C)c1 ZINC000215171828 571211478 /nfs/dbraw/zinc/21/14/78/571211478.db2.gz LFYPPDGDRIBHDV-GOSISDBHSA-N 1 0 354.494 3.800 50 0 FHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cnn3ccccc23)cc1 ZINC000077439097 571211664 /nfs/dbraw/zinc/21/16/64/571211664.db2.gz BWTUMHVPKQCPFI-FQEVSTJZSA-N 1 0 362.477 3.763 50 0 FHAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3c(C)nc4ccccn43)C2)c1 ZINC000077538656 571215181 /nfs/dbraw/zinc/21/51/81/571215181.db2.gz AUMZRWQXLFSYMR-MRXNPFEDSA-N 1 0 351.450 3.649 50 0 FHAARO CC(C)n1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)cn1 ZINC000077553457 571215416 /nfs/dbraw/zinc/21/54/16/571215416.db2.gz WDSYRRAXHKDKQT-HXUWFJFHSA-N 1 0 354.498 3.811 50 0 FHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc1 ZINC000097229479 571216331 /nfs/dbraw/zinc/21/63/31/571216331.db2.gz HRWRZPMAZAUVQA-IBGZPJMESA-N 1 0 355.409 3.850 50 0 FHAARO Cc1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127621 571217529 /nfs/dbraw/zinc/21/75/29/571217529.db2.gz MZXPHFOKCSTESH-UHFFFAOYSA-N 1 0 370.946 3.581 50 0 FHAARO C[C@H](c1ccc(-c2ccc(CS(C)(=O)=O)cn2)cc1)[NH+]1CCCCC1 ZINC000426388177 571218729 /nfs/dbraw/zinc/21/87/29/571218729.db2.gz PJXPKZHCHOXENF-MRXNPFEDSA-N 1 0 358.507 3.840 50 0 FHAARO CCCCN(Cc1ccc(C)s1)C(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426405085 571220679 /nfs/dbraw/zinc/22/06/79/571220679.db2.gz DXLXXDHTGWVLIU-QGZVFWFLSA-N 1 0 374.554 3.549 50 0 FHAARO CCC1CC[NH+](CCNC(=O)N(C)Cc2cc(-c3ccccc3)on2)CC1 ZINC000426405784 571221037 /nfs/dbraw/zinc/22/10/37/571221037.db2.gz UIEJPRCECPYDNH-UHFFFAOYSA-N 1 0 370.497 3.605 50 0 FHAARO CC(=O)c1ccc(F)cc1-c1ccc(C(=O)N2[C@@H]3CC[C@H]2C[NH2+]CC3)cc1 ZINC000426421088 571223183 /nfs/dbraw/zinc/22/31/83/571223183.db2.gz HMRSUELGJHETDL-MOPGFXCFSA-N 1 0 366.436 3.662 50 0 FHAARO CN(C)Cc1nnc(C2CC[NH+](C3CCCCCCC3)CC2)n1C1CC1 ZINC000082092977 571227918 /nfs/dbraw/zinc/22/79/18/571227918.db2.gz RSLUJQXRTAITGN-UHFFFAOYSA-N 1 0 359.562 3.967 50 0 FHAARO COc1cc(F)ccc1C[N@@H+]1CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12 ZINC000426493144 571228236 /nfs/dbraw/zinc/22/82/36/571228236.db2.gz IADXVTKWBVBEFN-HLAWJBBLSA-N 1 0 363.473 3.773 50 0 FHAARO O=C(c1ccccc1OC(F)F)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000082100281 571228365 /nfs/dbraw/zinc/22/83/65/571228365.db2.gz PWNCAKOEMURUCI-HNNXBMFYSA-N 1 0 352.425 3.626 50 0 FHAARO C[N@H+](CCCOc1ccc(Cl)cc1)[C@H]1CCOC2(CCOCC2)C1 ZINC000082099700 571228404 /nfs/dbraw/zinc/22/84/04/571228404.db2.gz ZGTCKHPFSQKEAS-KRWDZBQOSA-N 1 0 353.890 3.769 50 0 FHAARO C[C@@H](CCc1ccc(O)cc1)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082160897 571229551 /nfs/dbraw/zinc/22/95/51/571229551.db2.gz CHRVCELUGZKYGX-INIZCTEOSA-N 1 0 365.477 3.612 50 0 FHAARO CC(C)[C@@H](CNC(=O)c1cccc(-c2cccc(CO)c2)c1)[NH+]1CCCC1 ZINC000426517537 571229665 /nfs/dbraw/zinc/22/96/65/571229665.db2.gz GAYYJFTUEZWUJK-JOCHJYFZSA-N 1 0 366.505 3.696 50 0 FHAARO CCOC(=O)c1cnc2c(C)cc(C)cc2c1N(C)C1CC[NH+](C)CC1 ZINC000004749814 571230828 /nfs/dbraw/zinc/23/08/28/571230828.db2.gz YRPNZNYMTAVATQ-UHFFFAOYSA-N 1 0 355.482 3.559 50 0 FHAARO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3c(O)ccc4ccccc43)cc2)C1 ZINC000426628268 571233761 /nfs/dbraw/zinc/23/37/61/571233761.db2.gz NGUBTGXTYAYARI-LJQANCHMSA-N 1 0 360.457 3.989 50 0 FHAARO Cc1cc(C)cc(C(=O)c2ccccc2C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000085651577 571233904 /nfs/dbraw/zinc/23/39/04/571233904.db2.gz JXGZWSAYXCHCKW-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-c3cc(Cl)ccc3O)cc2)C1 ZINC000426658191 571234392 /nfs/dbraw/zinc/23/43/92/571234392.db2.gz IEYGKSWNSUHJBU-KRWDZBQOSA-N 1 0 358.869 3.879 50 0 FHAARO [NH3+]CCOc1cccc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)c1 ZINC000426715817 571236231 /nfs/dbraw/zinc/23/62/31/571236231.db2.gz DLSONAXVLHIHCK-FQEVSTJZSA-N 1 0 356.441 3.921 50 0 FHAARO Cc1ccn2cc(CN3C[C@H]4CC[C@H](C[N@H+]4Cc4ccccc4)C3)nc2c1 ZINC000091411476 571239429 /nfs/dbraw/zinc/23/94/29/571239429.db2.gz CVAKSDMJERBREL-RBBKRZOGSA-N 1 0 360.505 3.739 50 0 FHAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc2cccc(F)c2n1 ZINC000091440125 571239679 /nfs/dbraw/zinc/23/96/79/571239679.db2.gz KDDANNPUXNUQDJ-HNNXBMFYSA-N 1 0 363.436 3.551 50 0 FHAARO c1nc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3cc4ccccc4o3)C2)cs1 ZINC000091586429 571240740 /nfs/dbraw/zinc/24/07/40/571240740.db2.gz MLBVFAXTVPLKEE-MAUKXSAKSA-N 1 0 353.491 3.986 50 0 FHAARO O=C(Nc1ccccc1F)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000064761140 571241319 /nfs/dbraw/zinc/24/13/19/571241319.db2.gz LTANOGOTBXFWIO-UHFFFAOYSA-N 1 0 352.413 3.524 50 0 FHAARO CCCc1nc(C)cc(N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)n1 ZINC000091625477 571241541 /nfs/dbraw/zinc/24/15/41/571241541.db2.gz JIJPWWWOBNMTDA-WOJBJXKFSA-N 1 0 350.510 3.838 50 0 FHAARO CCc1ccc(CNC(=O)C2=CC[N@H+](Cc3cccc(OC)c3)CC2)cc1 ZINC000064818017 571243840 /nfs/dbraw/zinc/24/38/40/571243840.db2.gz LKLXGTPSGHGUPN-UHFFFAOYSA-N 1 0 364.489 3.706 50 0 FHAARO CCCn1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c2cccnc21 ZINC000065216762 571256809 /nfs/dbraw/zinc/25/68/09/571256809.db2.gz MKGYPDAJZDCNGE-UHFFFAOYSA-N 1 0 354.498 3.537 50 0 FHAARO CC[N@@H+]1CCC[C@@](C(=O)NCc2ccccc2F)(c2ccccc2)CC1 ZINC000065226057 571257072 /nfs/dbraw/zinc/25/70/72/571257072.db2.gz PDVXJHCAUBPZIQ-QFIPXVFZSA-N 1 0 354.469 3.886 50 0 FHAARO O=C(C[C@H](c1ccccc1)n1cccc1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731226 571258533 /nfs/dbraw/zinc/25/85/33/571258533.db2.gz OQRRYWQLAGKMIX-BHDDXSALSA-N 1 0 365.521 3.848 50 0 FHAARO Cc1oc2c(c1C(=O)N1CCCCC1)CN(Cc1ccc(F)cc1)CC2 ZINC000065291973 571260634 /nfs/dbraw/zinc/26/06/34/571260634.db2.gz HJJLLVJKJYCGPN-UHFFFAOYSA-N 1 0 356.441 3.912 50 0 FHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000007106009 571260877 /nfs/dbraw/zinc/26/08/77/571260877.db2.gz UXIZBUQHRRDYAW-UHFFFAOYSA-N 1 0 373.884 3.743 50 0 FHAARO Cc1nn(C)c(Cl)c1-c1c(-c2ccccc2)ncn1C[C@H]1CCC[NH2+]1 ZINC000065503450 571264199 /nfs/dbraw/zinc/26/41/99/571264199.db2.gz SGSRBAGLHXUNBG-OAHLLOKOSA-N 1 0 355.873 3.664 50 0 FHAARO Cc1cc2ccccc2n1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000007314059 571264292 /nfs/dbraw/zinc/26/42/92/571264292.db2.gz FUTNTVSEIOGEMP-UHFFFAOYSA-N 1 0 361.489 3.862 50 0 FHAARO CC(=O)Nc1cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1F ZINC000170598240 571266693 /nfs/dbraw/zinc/26/66/93/571266693.db2.gz LVOUUNUSAORPII-DJJJIMSYSA-N 1 0 372.444 3.597 50 0 FHAARO CC[N@@H+](Cc1ccc(Br)s1)C[C@H](O)CCOC(C)C ZINC000170606311 571267234 /nfs/dbraw/zinc/26/72/34/571267234.db2.gz PMLHUGUIJCYXHG-GFCCVEGCSA-N 1 0 350.322 3.509 50 0 FHAARO Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc(C)c1O ZINC000170629328 571269521 /nfs/dbraw/zinc/26/95/21/571269521.db2.gz HIBAQDQUMBUCKH-LJQANCHMSA-N 1 0 370.468 3.677 50 0 FHAARO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)on1 ZINC000076042484 571273873 /nfs/dbraw/zinc/27/38/73/571273873.db2.gz QBIISKJZVZQIFD-UHFFFAOYSA-N 1 0 353.466 3.644 50 0 FHAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1c(Cl)cccc1N1CCCC1)CC2 ZINC000089893736 571273945 /nfs/dbraw/zinc/27/39/45/571273945.db2.gz ZLPNXMSSRCDJJT-HNNXBMFYSA-N 1 0 373.932 3.760 50 0 FHAARO CCC(CC)(CC)[NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000076093225 571274352 /nfs/dbraw/zinc/27/43/52/571274352.db2.gz UDANXYSQCKIXMZ-UHFFFAOYSA-N 1 0 359.514 3.856 50 0 FHAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000237431372 571277257 /nfs/dbraw/zinc/27/72/57/571277257.db2.gz DNQSOZUPVQNPIV-HUUCEWRRSA-N 1 0 366.490 3.553 50 0 FHAARO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000252500155 571281212 /nfs/dbraw/zinc/28/12/12/571281212.db2.gz SNYRFTQHNUKHKS-JOCHJYFZSA-N 1 0 358.526 3.686 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)COc2ccccc2Cl)cc1 ZINC000007828562 571289987 /nfs/dbraw/zinc/28/99/87/571289987.db2.gz RROJCJSACKWSEO-UHFFFAOYSA-N 1 0 360.885 3.877 50 0 FHAARO CC(C)c1cc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)no1 ZINC000253393778 571311867 /nfs/dbraw/zinc/31/18/67/571311867.db2.gz VPOVYKGKYHLNEM-UHFFFAOYSA-N 1 0 367.493 3.926 50 0 FHAARO COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161598555 571321229 /nfs/dbraw/zinc/32/12/29/571321229.db2.gz QAWWTIDJZBREBC-FQEVSTJZSA-N 1 0 352.478 3.604 50 0 FHAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000225416870 571321360 /nfs/dbraw/zinc/32/13/60/571321360.db2.gz NRDGTPOHGOVPBK-CRAIPNDOSA-N 1 0 372.900 3.724 50 0 FHAARO Cc1[nH]c2ccc(-c3nc(-c4c(C)ncc5c4CC[NH2+]C5)no3)cc2c1C ZINC000020137896 571328058 /nfs/dbraw/zinc/32/80/58/571328058.db2.gz WLKYTFCZFALCJQ-UHFFFAOYSA-N 1 0 359.433 3.851 50 0 FHAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc3ccc4cccnc4c3[nH]2)C1 ZINC000020575513 571331210 /nfs/dbraw/zinc/33/12/10/571331210.db2.gz NPTMFDYLKPRMKV-HNNXBMFYSA-N 1 0 350.466 3.568 50 0 FHAARO Cc1ccc([C@@](O)(C(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020868572 571331874 /nfs/dbraw/zinc/33/18/74/571331874.db2.gz HAMNPWOBGUCPBK-GOTSBHOMSA-N 1 0 353.506 3.955 50 0 FHAARO Cc1ccc(-c2noc3ncnc(NCC[N@H+]4CCCC[C@H]4C)c32)cc1 ZINC000021715100 571335700 /nfs/dbraw/zinc/33/57/00/571335700.db2.gz OVABHWYLSOYDJZ-OAHLLOKOSA-N 1 0 351.454 3.880 50 0 FHAARO COC[C@H](C)[NH2+][C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000021820018 571336019 /nfs/dbraw/zinc/33/60/19/571336019.db2.gz GNJNNUYVSNVKER-SCLBCKFNSA-N 1 0 362.857 3.653 50 0 FHAARO CC[C@H](CNC(=O)CCC(=O)c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000029909164 571344162 /nfs/dbraw/zinc/34/41/62/571344162.db2.gz RATHQGXBYRTYMR-GOSISDBHSA-N 1 0 370.518 3.664 50 0 FHAARO COc1ccccc1C[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000003268712 571346400 /nfs/dbraw/zinc/34/64/00/571346400.db2.gz JFNQPYACHVDAKM-GOSISDBHSA-N 1 0 360.457 3.954 50 0 FHAARO COc1ccc(Cl)cc1C(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000670435045 571346703 /nfs/dbraw/zinc/34/67/03/571346703.db2.gz FQZLGRKNGLPVLL-MRXNPFEDSA-N 1 0 372.896 3.876 50 0 FHAARO C[C@H](NC(=O)CN(C)Cc1ccc(Br)cc1)c1ccccc1 ZINC000003431410 571349600 /nfs/dbraw/zinc/34/96/00/571349600.db2.gz DTTMFMKEELJZBE-AWEZNQCLSA-N 1 0 361.283 3.758 50 0 FHAARO CC(C)c1ccccc1OC[C@H](O)C[NH2+]CCCN(C)c1ccccc1 ZINC000003441462 571349791 /nfs/dbraw/zinc/34/97/91/571349791.db2.gz SXDSPCUKFCRDRT-HXUWFJFHSA-N 1 0 356.510 3.666 50 0 FHAARO COc1ccccc1[C@@H](CNc1ncnc2sc3c(c21)CCC3)[NH+](C)C ZINC000003456016 571350034 /nfs/dbraw/zinc/35/00/34/571350034.db2.gz RWGDKHFSBBOWID-OAHLLOKOSA-N 1 0 368.506 3.903 50 0 FHAARO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccsc2)Cc2cccnc2)C1 ZINC000670452413 571352717 /nfs/dbraw/zinc/35/27/17/571352717.db2.gz MYZQFPSAINBHEZ-GOSISDBHSA-N 1 0 372.538 3.728 50 0 FHAARO CC(C)[C@H](CNC(=O)c1ccc(NCc2ccncc2)cc1)[NH+]1CCCC1 ZINC000670466141 571358677 /nfs/dbraw/zinc/35/86/77/571358677.db2.gz YDKHQVJEGDPDSA-NRFANRHFSA-N 1 0 366.509 3.544 50 0 FHAARO Cc1cc(Cl)c(OCCOCCn2ccnc2)c(Br)c1 ZINC000022309846 931020919 /nfs/dbraw/zinc/02/09/19/931020919.db2.gz VOXUAOHTBZHDBF-UHFFFAOYSA-N 1 0 359.651 3.703 50 0 FHAARO COc1ccc([C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(C)C)cc1 ZINC000193848226 931472102 /nfs/dbraw/zinc/47/21/02/931472102.db2.gz MNVXJDAJVOJIOS-IBGZPJMESA-N 1 0 361.530 3.954 50 0 FHAARO CCCOC(C(=O)O[C@H](C)C[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000002461624 931778413 /nfs/dbraw/zinc/77/84/13/931778413.db2.gz NBQZLIUNPAFZKM-GOSISDBHSA-N 1 0 355.478 3.850 50 0 FHAARO CCC[C@]1(COC)CCC[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000194942057 940268091 /nfs/dbraw/zinc/26/80/91/940268091.db2.gz VSAGRJNRXJOXRP-GOSISDBHSA-N 1 0 351.397 3.796 50 0 FHAARO O=C(Cc1cccnc1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000023379550 940302375 /nfs/dbraw/zinc/30/23/75/940302375.db2.gz WVUWMQHELGZULT-QFIPXVFZSA-N 1 0 355.526 3.519 50 0 FHAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000023506521 940489894 /nfs/dbraw/zinc/48/98/94/940489894.db2.gz SWFVJFZEARBBFO-LJQANCHMSA-N 1 0 366.509 3.789 50 0 FHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000003681053 941116309 /nfs/dbraw/zinc/11/63/09/941116309.db2.gz CORRBDVITVBBET-HNNXBMFYSA-N 1 0 358.404 3.666 50 0 FHAARO Cc1ccc(C[NH+]2CCC(CCc3nc(C4CCOCC4)no3)CC2)nc1 ZINC000257188384 942641919 /nfs/dbraw/zinc/64/19/19/942641919.db2.gz FFDINVJBUFNUIS-UHFFFAOYSA-N 1 0 370.497 3.512 50 0 FHAARO Cc1c[nH+]c(C2CCOCC2)n1CC1CCN(C(=O)CC2CCCC2)CC1 ZINC000257196214 942690502 /nfs/dbraw/zinc/69/05/02/942690502.db2.gz XURJBPPKJSZQRT-UHFFFAOYSA-N 1 0 373.541 3.904 50 0 FHAARO COCCCN1CCc2nc[nH]c2[C@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675011767 943609260 /nfs/dbraw/zinc/60/92/60/943609260.db2.gz BQFFJOXBNWVDEH-JOCHJYFZSA-N 1 0 374.573 3.638 50 0 FHAARO O=C(Nc1nc(-c2cc(F)ccc2F)cs1)C1CC[NH+](C2CC2)CC1 ZINC000195276774 944602094 /nfs/dbraw/zinc/60/20/94/944602094.db2.gz KRQWHJSDBOHTOL-UHFFFAOYSA-N 1 0 363.433 3.901 50 0 FHAARO CC(=O)c1ccc(-c2ccc(C(=O)NCC[C@@H]3CCC[N@H+]3C)cc2)s1 ZINC000426503165 945003708 /nfs/dbraw/zinc/00/37/08/945003708.db2.gz YFRBGLKHNZRAHG-KRWDZBQOSA-N 1 0 356.491 3.832 50 0 FHAARO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)C2 ZINC000104449382 946001711 /nfs/dbraw/zinc/00/17/11/946001711.db2.gz DDKDLPNHTSZLTK-CVEARBPZSA-N 1 0 369.461 3.886 50 0 FHAARO Cn1c2ccccc2nc1-c1cccc(NC(=O)C[C@H]2CC[NH2+]C[C@H]2F)c1 ZINC000888102005 948458137 /nfs/dbraw/zinc/45/81/37/948458137.db2.gz SWAHNLBPBNTMLL-RHSMWYFYSA-N 1 0 366.440 3.517 50 0 FHAARO c1c(C[NH2+]CCCN2CCOCC2)c2ccccc2n1Cc1ccccc1 ZINC000248124038 209926181 /nfs/dbraw/zinc/92/61/81/209926181.db2.gz TYFABBKWBHMGER-UHFFFAOYSA-N 1 0 363.505 3.502 50 0 FHAARO CCC1=NO[C@H](C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000244884364 209911467 /nfs/dbraw/zinc/91/14/67/209911467.db2.gz YLDOUDHZELWGQZ-INIZCTEOSA-N 1 0 356.388 3.544 50 0 FHAARO COc1ccc(C2(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000221251589 209710979 /nfs/dbraw/zinc/71/09/79/209710979.db2.gz LXEBCSWYJLSMPR-UHFFFAOYSA-N 1 0 364.489 3.639 50 0 FHAARO Cc1noc(C)c1COc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000007981789 209469643 /nfs/dbraw/zinc/46/96/43/209469643.db2.gz KJFDCYHZHHCNQU-UHFFFAOYSA-N 1 0 373.497 3.719 50 0 FHAARO Cn1c(C[N@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)nc2cc(C(F)(F)F)ccc21 ZINC000130065885 209370153 /nfs/dbraw/zinc/37/01/53/209370153.db2.gz SWDJSCRRPAZNNT-JLZZUVOBSA-N 1 0 367.415 3.837 50 0 FHAARO Cc1noc(C)c1C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000237620821 209351468 /nfs/dbraw/zinc/35/14/68/209351468.db2.gz BLRZFVQNKFWKGG-CQSZACIVSA-N 1 0 364.287 3.670 50 0 FHAARO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cccc3cccnc32)cc1 ZINC000048367708 209332563 /nfs/dbraw/zinc/33/25/63/209332563.db2.gz KFDYCKSCDKCAAP-FQEVSTJZSA-N 1 0 361.445 3.847 50 0 FHAARO CC(=O)Nc1cc2ccccc2cc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000049634623 209338705 /nfs/dbraw/zinc/33/87/05/209338705.db2.gz ROUIUJUNGVVEIP-UHFFFAOYSA-N 1 0 367.493 3.793 50 0 FHAARO COc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1Cl ZINC000043332285 209280006 /nfs/dbraw/zinc/28/00/06/209280006.db2.gz QXVKCSYUILYRPQ-ZDUSSCGKSA-N 1 0 353.875 3.835 50 0 FHAARO Cc1cc(C(=O)CCC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)s1 ZINC000106629524 209273955 /nfs/dbraw/zinc/27/39/55/209273955.db2.gz JKMTWKBQYOIJFP-KGLIPLIRSA-N 1 0 350.528 3.564 50 0 FHAARO CC(=O)Nc1ccc([C@@H]2C[N@H+](C)C[C@H]2C(=O)c2ccc(Cl)cc2)cc1 ZINC000106343200 209273888 /nfs/dbraw/zinc/27/38/88/209273888.db2.gz XGHOWVUWSUQUJX-RBUKOAKNSA-N 1 0 356.853 3.827 50 0 FHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)NCc1ccccc1F ZINC000106558958 209274510 /nfs/dbraw/zinc/27/45/10/209274510.db2.gz NTJYWXZZJOICOT-FXAWDEMLSA-N 1 0 353.441 3.652 50 0 FHAARO CN(CC(=O)N(C)Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000042364732 209256167 /nfs/dbraw/zinc/25/61/67/209256167.db2.gz LTLYBKLGLLIRJO-UHFFFAOYSA-N 1 0 350.384 3.796 50 0 FHAARO Cc1ccc([C@H](CC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c2ccco2)cc1 ZINC000102683670 209239972 /nfs/dbraw/zinc/23/99/72/209239972.db2.gz ALGBIQNSNSQKKV-KVPLUYHFSA-N 1 0 354.494 3.955 50 0 FHAARO C[NH+]1CCC(C(=O)N(CCc2ccc(Cl)cc2)Cc2ccncc2)CC1 ZINC000097819606 209199248 /nfs/dbraw/zinc/19/92/48/209199248.db2.gz WIPUQWWZWTWIDD-UHFFFAOYSA-N 1 0 371.912 3.648 50 0 FHAARO CCSc1ncc(C[N@@H+]2CC[C@@H](c3cccc(OC)c3OC)C2)cn1 ZINC000097696146 209193201 /nfs/dbraw/zinc/19/32/01/209193201.db2.gz QLDPNYDAGMZGJY-OAHLLOKOSA-N 1 0 359.495 3.595 50 0 FHAARO Cc1nn(C(C)C)c(C)c1CN(C)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000097413303 209179806 /nfs/dbraw/zinc/17/98/06/209179806.db2.gz WHNDHICJJFWCQG-UHFFFAOYSA-N 1 0 358.486 3.542 50 0 FHAARO Cc1cc(C)n(CCC[NH2+]Cc2ccc(OCc3ccncc3)cc2)n1 ZINC000097287394 209177597 /nfs/dbraw/zinc/17/75/97/209177597.db2.gz HRRQDOVLUBNDDL-UHFFFAOYSA-N 1 0 350.466 3.654 50 0 FHAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000097164671 209172735 /nfs/dbraw/zinc/17/27/35/209172735.db2.gz XZTFQISCVOMVPG-GOSISDBHSA-N 1 0 356.470 3.954 50 0 FHAARO Cc1cccc(C(C)C)c1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000096999311 209166666 /nfs/dbraw/zinc/16/66/66/209166666.db2.gz SILGUNJCQAJJRW-UHFFFAOYSA-N 1 0 372.557 3.610 50 0 FHAARO O=S(=O)(/C=C\c1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000096924866 209161731 /nfs/dbraw/zinc/16/17/31/209161731.db2.gz VJVTYIZAZGNTEE-SSZFMOIBSA-N 1 0 370.518 3.763 50 0 FHAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2ccc3n[nH]cc3c2)s1 ZINC000096164227 209129588 /nfs/dbraw/zinc/12/95/88/209129588.db2.gz ZAOFKPVKYAUHOR-UHFFFAOYSA-N 1 0 357.483 3.529 50 0 FHAARO Fc1ccc([C@@H](CNc2nccc(-c3cccnc3)n2)[NH+]2CCCC2)cc1 ZINC000096150727 209125123 /nfs/dbraw/zinc/12/51/23/209125123.db2.gz CNFYZEDAFIFEFN-HXUWFJFHSA-N 1 0 363.440 3.927 50 0 FHAARO O=C(Nc1cccc(/C=C/c2ccccn2)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000096149079 209123589 /nfs/dbraw/zinc/12/35/89/209123589.db2.gz UIDHGIFKOAJLBY-ZJVMWOEPSA-N 1 0 362.477 3.954 50 0 FHAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000096125613 209116438 /nfs/dbraw/zinc/11/64/38/209116438.db2.gz UOVDWAMJYCHVQU-DNVCBOLYSA-N 1 0 372.900 3.724 50 0 FHAARO C[C@@H]1C[N@@H+](CCCOc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000016247646 220181388 /nfs/dbraw/zinc/18/13/88/220181388.db2.gz CRJHFZBEQQKMED-TXEJJXNPSA-N 1 0 362.695 3.981 50 0 FHAARO CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1cccc(Cl)c1 ZINC000000644778 206820096 /nfs/dbraw/zinc/82/00/96/206820096.db2.gz MWUMFOOHFIHXEB-MRXNPFEDSA-N 1 0 359.877 3.512 50 0 FHAARO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]Cc1ccccn1)c1ccccc1 ZINC000002645867 206925287 /nfs/dbraw/zinc/92/52/87/206925287.db2.gz HXOHACQGXBNOGX-FYYLOGMGSA-N 1 0 362.473 3.647 50 0 FHAARO C[N@H+](C[C@H]1CCCO1)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000003058113 206955329 /nfs/dbraw/zinc/95/53/29/206955329.db2.gz RBEPVCSXNNCGRG-QGZVFWFLSA-N 1 0 367.946 3.612 50 0 FHAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)COc3ccccc3)nc21 ZINC000004359238 207014990 /nfs/dbraw/zinc/01/49/90/207014990.db2.gz RKBDBRWZXBNSFI-UHFFFAOYSA-N 1 0 369.490 3.578 50 0 FHAARO CCc1cccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccccn2)c1 ZINC000004669519 207036669 /nfs/dbraw/zinc/03/66/69/207036669.db2.gz ROIUUUGLOFVXFW-INIZCTEOSA-N 1 0 356.539 3.966 50 0 FHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cccc(OCc3ccccc3)c2)N1 ZINC000005072188 207079186 /nfs/dbraw/zinc/07/91/86/207079186.db2.gz YFLJSPZGOYVLSF-HXUWFJFHSA-N 1 0 369.428 3.902 50 0 FHAARO Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)oc2c1[C@H](O)CC(C)(C)C2 ZINC000005321372 207092727 /nfs/dbraw/zinc/09/27/27/207092727.db2.gz BDVJQHUJROJNKS-CQSZACIVSA-N 1 0 362.514 3.633 50 0 FHAARO Cn1c(CC[NH+]2CCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000005206978 207088096 /nfs/dbraw/zinc/08/80/96/207088096.db2.gz LPKRUTKBQOXDBB-UHFFFAOYSA-N 1 0 366.440 3.603 50 0 FHAARO O[C@@]1(c2ccc(-c3ccccc3)cc2)CN2CCCSC2=[N+]1C(F)F ZINC000005738530 207115244 /nfs/dbraw/zinc/11/52/44/207115244.db2.gz YCWDJDJVAXUGQC-LJQANCHMSA-N 1 0 361.437 3.542 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1cc2cc(Br)ccc2s1 ZINC000005672148 207111034 /nfs/dbraw/zinc/11/10/34/207111034.db2.gz ZYYLLLUVNOGFKZ-UHFFFAOYSA-N 1 0 355.301 3.735 50 0 FHAARO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1 ZINC000006256295 207134703 /nfs/dbraw/zinc/13/47/03/207134703.db2.gz ARYHBKZHNAUSLY-KRWDZBQOSA-N 1 0 357.479 3.952 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000006432742 207140593 /nfs/dbraw/zinc/14/05/93/207140593.db2.gz JMUKEKXIKOMYBT-UHFFFAOYSA-N 1 0 373.884 3.664 50 0 FHAARO COc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(C)c2)c(OC)c1 ZINC000007719562 207203837 /nfs/dbraw/zinc/20/38/37/207203837.db2.gz NJDNHXVYVOARHL-IBGZPJMESA-N 1 0 354.450 3.788 50 0 FHAARO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N1CCCCCC1 ZINC000008261670 207226525 /nfs/dbraw/zinc/22/65/25/207226525.db2.gz UXGXSAYODFRZLA-INIZCTEOSA-N 1 0 357.523 3.878 50 0 FHAARO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000008529840 207235971 /nfs/dbraw/zinc/23/59/71/207235971.db2.gz WBVBHAGDBNEWTA-HNNXBMFYSA-N 1 0 356.466 3.725 50 0 FHAARO COc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009062528 207257369 /nfs/dbraw/zinc/25/73/69/207257369.db2.gz VOIUASIJMBCIFE-UHFFFAOYSA-N 1 0 366.505 3.656 50 0 FHAARO C[NH+](C)C[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 ZINC000009578958 207278237 /nfs/dbraw/zinc/27/82/37/207278237.db2.gz PTRWSJDNHNJLLH-NRFANRHFSA-N 1 0 374.488 3.782 50 0 FHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000036394263 207279682 /nfs/dbraw/zinc/27/96/82/207279682.db2.gz BWDCGBNBKOTYGX-SFHVURJKSA-N 1 0 355.434 3.828 50 0 FHAARO COc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010323890 207299959 /nfs/dbraw/zinc/29/99/59/207299959.db2.gz PFLWENBJJMFWEX-UHFFFAOYSA-N 1 0 352.478 3.953 50 0 FHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000010413514 207300129 /nfs/dbraw/zinc/30/01/29/207300129.db2.gz GNTKCLTWOLFGLK-UHFFFAOYSA-N 1 0 353.466 3.743 50 0 FHAARO COc1ccc2cc(CNC(=O)NCC(C)(C)[NH+]3CCCCC3)ccc2c1 ZINC000010465739 207301513 /nfs/dbraw/zinc/30/15/13/207301513.db2.gz SGXHLLBDVAVAFV-UHFFFAOYSA-N 1 0 369.509 3.912 50 0 FHAARO Clc1ccc(C[N@@H+]2CC[C@@H](C3CCN(Cc4ncc[nH]4)CC3)C2)cc1 ZINC000011819517 207322845 /nfs/dbraw/zinc/32/28/45/207322845.db2.gz QJHLXDIDUMWVGM-GOSISDBHSA-N 1 0 358.917 3.797 50 0 FHAARO Cc1nc[nH]c1CN(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011936765 207330161 /nfs/dbraw/zinc/33/01/61/207330161.db2.gz DKHCPVUGZSMKND-GOSISDBHSA-N 1 0 360.933 3.758 50 0 FHAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1F ZINC000012000066 207332607 /nfs/dbraw/zinc/33/26/07/207332607.db2.gz FYWUAJGIDBFYFU-KRWDZBQOSA-N 1 0 360.860 3.916 50 0 FHAARO CN1C[C@@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)[N@@H+]3CCC[C@@]23C1=O ZINC000011998435 207333451 /nfs/dbraw/zinc/33/34/51/207333451.db2.gz IINMVODZNQBPPW-RRPUWOKSSA-N 1 0 362.473 3.633 50 0 FHAARO O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1Cc1cccc(F)c1F ZINC000012039694 207334416 /nfs/dbraw/zinc/33/44/16/207334416.db2.gz CGDRZKBQVYUNKB-QGZVFWFLSA-N 1 0 362.395 3.775 50 0 FHAARO CSCCC(=O)N1CC[C@H](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000011874792 207327475 /nfs/dbraw/zinc/32/74/75/207327475.db2.gz FAMWLFHIHDEJLV-FQEVSTJZSA-N 1 0 360.567 3.543 50 0 FHAARO OCC1(Cc2ccc(Cl)cc2)CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000011879663 207327840 /nfs/dbraw/zinc/32/78/40/207327840.db2.gz YXZRWVRAXZBCFJ-UHFFFAOYSA-N 1 0 373.880 3.886 50 0 FHAARO O=C(CCCc1cccs1)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012075964 207335221 /nfs/dbraw/zinc/33/52/21/207335221.db2.gz WNRZKTCUCLYUOJ-LJQANCHMSA-N 1 0 368.546 3.819 50 0 FHAARO CCCn1cc(CN(CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000012301912 207354822 /nfs/dbraw/zinc/35/48/22/207354822.db2.gz WJAHRVFVZGMPNY-JOCHJYFZSA-N 1 0 368.569 3.988 50 0 FHAARO CN(C(=O)CCc1cccs1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012303044 207356309 /nfs/dbraw/zinc/35/63/09/207356309.db2.gz OSZIJFYZXGHEBN-LJQANCHMSA-N 1 0 368.546 3.771 50 0 FHAARO CC(=O)c1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)cs1 ZINC000012300878 207356677 /nfs/dbraw/zinc/35/66/77/207356677.db2.gz PPIWVGBDNXXKKV-INIZCTEOSA-N 1 0 352.463 3.699 50 0 FHAARO c1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)n(-c2cccnc2)c1 ZINC000012305961 207358175 /nfs/dbraw/zinc/35/81/75/207358175.db2.gz MHMBDBPNLXYJOF-FQEVSTJZSA-N 1 0 370.460 3.620 50 0 FHAARO c1cc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)n(-c2cccnc2)c1 ZINC000012307647 207358806 /nfs/dbraw/zinc/35/88/06/207358806.db2.gz SBJCTYASCIUZAH-QFIPXVFZSA-N 1 0 350.510 3.570 50 0 FHAARO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326910 207362097 /nfs/dbraw/zinc/36/20/97/207362097.db2.gz OMRSGQRINMGSON-ROUUACIJSA-N 1 0 365.477 3.673 50 0 FHAARO CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)C[NH+]3CCCCCC3)ccc21 ZINC000012421986 207374020 /nfs/dbraw/zinc/37/40/20/207374020.db2.gz JPPRKUZYJWLXOA-SFHVURJKSA-N 1 0 372.509 3.788 50 0 FHAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000012439218 207375923 /nfs/dbraw/zinc/37/59/23/207375923.db2.gz WMCHUUZHZLJAKP-NRFANRHFSA-N 1 0 354.538 3.980 50 0 FHAARO CC[NH+]1CCC(C(=O)N2CCC[C@@H](CCc3cccc(OC)c3)C2)CC1 ZINC000012458866 207380194 /nfs/dbraw/zinc/38/01/94/207380194.db2.gz ANFZOUHFVAJIKR-IBGZPJMESA-N 1 0 358.526 3.598 50 0 FHAARO Cc1cc2ncn(C[NH+]3CCC(NC(=O)c4ccccc4)CC3)c2cc1C ZINC000012527531 207387595 /nfs/dbraw/zinc/38/75/95/207387595.db2.gz APYDACWZAQNJDU-UHFFFAOYSA-N 1 0 362.477 3.505 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1 ZINC000012547368 207392441 /nfs/dbraw/zinc/39/24/41/207392441.db2.gz RHERYLZFSDMFKL-UHFFFAOYSA-N 1 0 364.493 3.654 50 0 FHAARO O=C1N(Cc2ccccc2F)CCC[C@]12CC[N@@H+](C1CCSCC1)C2 ZINC000012586719 207398000 /nfs/dbraw/zinc/39/80/00/207398000.db2.gz UUEPCROFJMVARU-HXUWFJFHSA-N 1 0 362.514 3.536 50 0 FHAARO COc1cccc(N2C[C@@H]3C[C@@H](/C=C/c4ccco4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012595530 207399958 /nfs/dbraw/zinc/39/99/58/207399958.db2.gz SBPVRSLIPSYRER-DRUPYDGHSA-N 1 0 364.445 3.571 50 0 FHAARO COc1ccc2[nH]c(C(=O)N[C@@H]3CCC[N@H+](CC4CCCCC4)C3)cc2c1 ZINC000014974109 207536181 /nfs/dbraw/zinc/53/61/81/207536181.db2.gz SPOLQOVZKCQDRJ-GOSISDBHSA-N 1 0 369.509 3.951 50 0 FHAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c(C)c1 ZINC000015079242 207545193 /nfs/dbraw/zinc/54/51/93/207545193.db2.gz XBWIJHTZSYBBQH-KRWDZBQOSA-N 1 0 360.498 3.613 50 0 FHAARO Cc1cc2c(cc1C[NH2+][C@@H]1CCCN(Cc3ccccc3F)C1)OCO2 ZINC000020542641 207745226 /nfs/dbraw/zinc/74/52/26/207745226.db2.gz ZELZXDXSHHCGNY-GOSISDBHSA-N 1 0 356.441 3.617 50 0 FHAARO Clc1ccc([C@H](CC[NH2+]CCN2CCOCC2)c2ccccc2)cc1 ZINC000020589660 207747776 /nfs/dbraw/zinc/74/77/76/207747776.db2.gz QRKHJZKPWWACDF-OAQYLSRUSA-N 1 0 358.913 3.784 50 0 FHAARO c1c(C[NH2+]CCc2ccccn2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000024106084 207862837 /nfs/dbraw/zinc/86/28/37/207862837.db2.gz BEJUCKNWHNPLBB-UHFFFAOYSA-N 1 0 369.472 3.721 50 0 FHAARO CCc1noc(C)c1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000029358407 207989939 /nfs/dbraw/zinc/98/99/39/207989939.db2.gz GTRJZHJYOHSXHS-UHFFFAOYSA-N 1 0 355.482 3.707 50 0 FHAARO C[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc(-n2cncn2)cc1 ZINC000030545454 208002180 /nfs/dbraw/zinc/00/21/80/208002180.db2.gz RXOUTMWIRPRBSF-LLVKDONJSA-N 1 0 363.284 3.942 50 0 FHAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000031765385 208016023 /nfs/dbraw/zinc/01/60/23/208016023.db2.gz GTFMNIZBQAZXHX-UHFFFAOYSA-N 1 0 365.452 3.964 50 0 FHAARO CC[C@H](CNC(=O)c1cc(-c2ccco2)on1)[N@@H+]1CCc2ccccc2C1 ZINC000032447466 208028561 /nfs/dbraw/zinc/02/85/61/208028561.db2.gz MDIVLNXRTSYKGO-QGZVFWFLSA-N 1 0 365.433 3.501 50 0 FHAARO COc1cccc2c(=O)n(CC[C@H]3CCCC[N@@H+]3C3CCCC3)cnc12 ZINC000032581795 208031272 /nfs/dbraw/zinc/03/12/72/208031272.db2.gz MLTUMWCGXCMYMA-QGZVFWFLSA-N 1 0 355.482 3.592 50 0 FHAARO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000032927280 208058076 /nfs/dbraw/zinc/05/80/76/208058076.db2.gz AEDCGPXZRJSGOX-KRWDZBQOSA-N 1 0 368.525 3.572 50 0 FHAARO COc1cccc(CC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000032930264 208058276 /nfs/dbraw/zinc/05/82/76/208058276.db2.gz OZLFEUSDFQLOCE-SFHVURJKSA-N 1 0 366.505 3.929 50 0 FHAARO CCc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000032951929 208059520 /nfs/dbraw/zinc/05/95/20/208059520.db2.gz SSUSURDPWSFLAO-UHFFFAOYSA-N 1 0 364.555 3.526 50 0 FHAARO C[NH+]1CCC(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1 ZINC000036611126 208165270 /nfs/dbraw/zinc/16/52/70/208165270.db2.gz SZOUNMJSFSNADH-UHFFFAOYSA-N 1 0 358.869 3.743 50 0 FHAARO COc1cccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccccc2)c1OC ZINC000036097040 208145392 /nfs/dbraw/zinc/14/53/92/208145392.db2.gz WOJMBQGSYCWDPS-IBGZPJMESA-N 1 0 373.493 3.602 50 0 FHAARO COc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)Cc2ccccc2)cc1 ZINC000036102117 208146256 /nfs/dbraw/zinc/14/62/56/208146256.db2.gz SBRGBXFVQPYOEL-HXUWFJFHSA-N 1 0 351.446 3.894 50 0 FHAARO COc1ccccc1C[N@H+](CCC(C)C)C[C@@H](O)COCc1ccco1 ZINC000036096213 208146801 /nfs/dbraw/zinc/14/68/01/208146801.db2.gz JHRKYJRWKOBOQP-LJQANCHMSA-N 1 0 361.482 3.714 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H](c1ccccc1)n1cccc1 ZINC000070636904 208175811 /nfs/dbraw/zinc/17/58/11/208175811.db2.gz RBNQQDVAWRLDIB-QHCPKHFHSA-N 1 0 373.500 3.858 50 0 FHAARO COCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000037570631 208182917 /nfs/dbraw/zinc/18/29/17/208182917.db2.gz LTDRCBUXTXIJDP-UHFFFAOYSA-N 1 0 366.505 3.947 50 0 FHAARO COc1cccc(C[NH+]2CCC(N(C(C)=O)c3ccc(F)cc3)CC2)c1 ZINC000037559898 208183121 /nfs/dbraw/zinc/18/31/21/208183121.db2.gz GSZRJDCQFRDDTI-UHFFFAOYSA-N 1 0 356.441 3.852 50 0 FHAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000075166840 208194484 /nfs/dbraw/zinc/19/44/84/208194484.db2.gz UKVWCBQHJKCXDQ-UHFFFAOYSA-N 1 0 359.558 3.909 50 0 FHAARO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000078710461 208197565 /nfs/dbraw/zinc/19/75/65/208197565.db2.gz BELOGTHDXCETKJ-OXJNMPFZSA-N 1 0 360.523 3.985 50 0 FHAARO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC(C)(C)C ZINC000040002630 208217830 /nfs/dbraw/zinc/21/78/30/208217830.db2.gz ZZRCCBMZLYLCCO-LPHOPBHVSA-N 1 0 367.493 3.573 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCCc1nc2ccccc2[nH]1 ZINC000040112650 208230046 /nfs/dbraw/zinc/23/00/46/208230046.db2.gz ZIEPJBAZPZSTCQ-KRWDZBQOSA-N 1 0 356.514 3.656 50 0 FHAARO OCCOCC[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040738893 208264926 /nfs/dbraw/zinc/26/49/26/208264926.db2.gz QORJUQPPTGFNGW-UHFFFAOYSA-N 1 0 370.276 3.671 50 0 FHAARO OCCOCC[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040738485 208265056 /nfs/dbraw/zinc/26/50/56/208265056.db2.gz WZBPVSFTYJLAMG-UHFFFAOYSA-N 1 0 370.276 3.671 50 0 FHAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCOCCO ZINC000040735136 208265234 /nfs/dbraw/zinc/26/52/34/208265234.db2.gz ZCWSZKSONTZKRG-UHFFFAOYSA-N 1 0 365.473 3.826 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000045463065 208333854 /nfs/dbraw/zinc/33/38/54/208333854.db2.gz URTNURMXQDWNFW-QGZVFWFLSA-N 1 0 361.530 3.954 50 0 FHAARO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044920074 208322520 /nfs/dbraw/zinc/32/25/20/208322520.db2.gz BMOHQHXHSJMPQR-UHFFFAOYSA-N 1 0 370.468 3.753 50 0 FHAARO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000044919781 208322908 /nfs/dbraw/zinc/32/29/08/208322908.db2.gz LJCHDDOBQUJFOE-UHFFFAOYSA-N 1 0 366.505 3.922 50 0 FHAARO C[C@H](CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1Br ZINC000299739596 208325154 /nfs/dbraw/zinc/32/51/54/208325154.db2.gz QNALOCAVXOGUEW-RDBSUJKOSA-N 1 0 353.304 3.529 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000046049967 208356504 /nfs/dbraw/zinc/35/65/04/208356504.db2.gz MPAHNUPOMOJXGO-CYBMUJFWSA-N 1 0 373.324 3.997 50 0 FHAARO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(Cn3ccnc3)c2)o1 ZINC000048236424 208391268 /nfs/dbraw/zinc/39/12/68/208391268.db2.gz DEJWUJKCFVGTMQ-UHFFFAOYSA-N 1 0 352.438 3.619 50 0 FHAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cccc3c[nH]nc32)cc1 ZINC000048252260 208393797 /nfs/dbraw/zinc/39/37/97/208393797.db2.gz CYTFFFZYZJFQCB-INIZCTEOSA-N 1 0 362.477 3.867 50 0 FHAARO Cc1ncsc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000048310264 208397336 /nfs/dbraw/zinc/39/73/36/208397336.db2.gz LBVNQKNSTYXOGM-HUUCEWRRSA-N 1 0 357.523 3.859 50 0 FHAARO CC(C)[C@@H](CNC(=O)NCc1ccccc1OCc1ccccc1)[NH+](C)C ZINC000058202205 208566313 /nfs/dbraw/zinc/56/63/13/208566313.db2.gz ITQXSXLRAHWKGJ-HXUWFJFHSA-N 1 0 369.509 3.651 50 0 FHAARO CN(C(=O)c1cccc2[nH]cc(C[NH+]3CCSCC3)c21)c1ccccc1 ZINC000065135842 208634650 /nfs/dbraw/zinc/63/46/50/208634650.db2.gz LSBRBZALZBXWOL-UHFFFAOYSA-N 1 0 365.502 3.993 50 0 FHAARO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(CCO)cc3)cc2)C1 ZINC000065381572 208669223 /nfs/dbraw/zinc/66/92/23/208669223.db2.gz SPBUAKQJEDOAQT-KRWDZBQOSA-N 1 0 352.478 3.706 50 0 FHAARO CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000065365111 208665802 /nfs/dbraw/zinc/66/58/02/208665802.db2.gz LGIPAWIAACDHJH-NRFANRHFSA-N 1 0 367.493 3.543 50 0 FHAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]C3CCCCCC3)C2=O)cc1 ZINC000067473110 208706201 /nfs/dbraw/zinc/70/62/01/208706201.db2.gz RQOWMNVKYVLHCL-HSZRJFAPSA-N 1 0 372.553 3.976 50 0 FHAARO O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072144492 208807729 /nfs/dbraw/zinc/80/77/29/208807729.db2.gz XUIYPFVXJWVCOI-OAHLLOKOSA-N 1 0 354.881 3.879 50 0 FHAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cnc(-c3ccco3)nc2)CC1 ZINC000072151449 208811502 /nfs/dbraw/zinc/81/15/02/208811502.db2.gz ZGCGFQORCIBQJC-UHFFFAOYSA-N 1 0 361.445 3.859 50 0 FHAARO CC(C)(O)CCc1cccc(C(=O)N2CCC(CC[NH+]3CCCC3)CC2)c1 ZINC000072435369 208860716 /nfs/dbraw/zinc/86/07/16/208860716.db2.gz DWNGHYNBAIBHBU-UHFFFAOYSA-N 1 0 372.553 3.728 50 0 FHAARO Cc1cc2nc(C(C)C)cc(N3CCCN(c4cc[nH+]cc4C)CC3)n2n1 ZINC000072433189 208861788 /nfs/dbraw/zinc/86/17/88/208861788.db2.gz ASGWOCUGZBQXPZ-UHFFFAOYSA-N 1 0 364.497 3.581 50 0 FHAARO OCC[C@@H]1CN(Cc2cccc3cccnc32)CC[N@@H+]1CC1CCCCC1 ZINC000077381097 208902763 /nfs/dbraw/zinc/90/27/63/208902763.db2.gz XMAQDSUSYYXBRH-JOCHJYFZSA-N 1 0 367.537 3.684 50 0 FHAARO COCCCN1CC2(CCC1=O)CC[NH+](C[C@@H](C)c1ccccc1)CC2 ZINC000091846402 209000842 /nfs/dbraw/zinc/00/08/42/209000842.db2.gz GNINDBXPYZSHQN-LJQANCHMSA-N 1 0 358.526 3.531 50 0 FHAARO O=C1N(CC2CC2)CCC[C@]12CC[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC000091872190 209002708 /nfs/dbraw/zinc/00/27/08/209002708.db2.gz BUXBKXOVMMOLTF-LJQANCHMSA-N 1 0 350.865 3.704 50 0 FHAARO CC(C)c1ncc(C[NH+]2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)cn1 ZINC000091877268 209003036 /nfs/dbraw/zinc/00/30/36/209003036.db2.gz KUVLJSXMDXWNBX-UHFFFAOYSA-N 1 0 370.541 3.747 50 0 FHAARO O=C(NCC[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1ccccc1 ZINC000095967499 209090909 /nfs/dbraw/zinc/09/09/09/209090909.db2.gz VNMWQKAXNSMDIZ-IBGZPJMESA-N 1 0 350.462 3.843 50 0 FHAARO Fc1ccc(C[N@@H+]2CCC[C@@H](Nc3nccc(C(F)(F)F)n3)C2)cc1 ZINC000095354188 209024815 /nfs/dbraw/zinc/02/48/15/209024815.db2.gz VOOHDQWMLVXQNW-CQSZACIVSA-N 1 0 354.351 3.711 50 0 FHAARO COc1ccccc1CN(C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000095358894 209027279 /nfs/dbraw/zinc/02/72/79/209027279.db2.gz LBOASEVOPMFJDJ-IBGZPJMESA-N 1 0 364.489 3.967 50 0 FHAARO O=C(NCCOCc1ccc(Cl)cc1)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095362660 209029266 /nfs/dbraw/zinc/02/92/66/209029266.db2.gz DQUWTPNNUUQDJL-IBGZPJMESA-N 1 0 372.896 3.754 50 0 FHAARO CC(C)[NH+]1CCC(CC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)CC1 ZINC000095362616 209030113 /nfs/dbraw/zinc/03/01/13/209030113.db2.gz ILKJVALUAIQEOQ-FQEVSTJZSA-N 1 0 368.525 3.747 50 0 FHAARO CSc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)c1 ZINC000092045535 209014863 /nfs/dbraw/zinc/01/48/63/209014863.db2.gz AQKGUTYMMMXDCV-IEBWSBKVSA-N 1 0 367.518 3.540 50 0 FHAARO Cc1cc(C)c2c(ncnc2NCCSCc2ccc(C[NH+](C)C)o2)n1 ZINC000095387210 209044013 /nfs/dbraw/zinc/04/40/13/209044013.db2.gz NPVDHKMOBICCPA-UHFFFAOYSA-N 1 0 371.510 3.642 50 0 FHAARO Fc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccc4c(c2)OCO4)C3)cc1 ZINC000095386154 209044033 /nfs/dbraw/zinc/04/40/33/209044033.db2.gz KZLFCUMUFHIJED-AZUAARDMSA-N 1 0 368.452 3.651 50 0 FHAARO O=C(NCc1cccc(OC(F)F)c1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095364350 209031684 /nfs/dbraw/zinc/03/16/84/209031684.db2.gz IWQIIHDCHNATMX-QGZVFWFLSA-N 1 0 360.404 3.685 50 0 FHAARO COc1ccc(F)c(CNC(=O)C2CC[NH+](C3CCCCC3)CC2)c1F ZINC000095372100 209035050 /nfs/dbraw/zinc/03/50/50/209035050.db2.gz HUELZEHUJNJDKF-UHFFFAOYSA-N 1 0 366.452 3.634 50 0 FHAARO CC(C)n1cccc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095372107 209035357 /nfs/dbraw/zinc/03/53/57/209035357.db2.gz NDMZEECHIMAKCG-WOJBJXKFSA-N 1 0 351.494 3.806 50 0 FHAARO c1ccc(SCC[NH2+]C2CCN(c3nc4ccccc4o3)CC2)nc1 ZINC000095375286 209036842 /nfs/dbraw/zinc/03/68/42/209036842.db2.gz FRIMXCWQXNHFEU-UHFFFAOYSA-N 1 0 354.479 3.574 50 0 FHAARO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)ccc1F ZINC000095384062 209042262 /nfs/dbraw/zinc/04/22/62/209042262.db2.gz BOWTXKHKUJGORY-UYAOXDASSA-N 1 0 352.453 3.871 50 0 FHAARO O=C(c1ccc(F)cc1Cl)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095384041 209042357 /nfs/dbraw/zinc/04/23/57/209042357.db2.gz PWOXEENAMBCMPQ-DOTOQJQBSA-N 1 0 373.859 3.611 50 0 FHAARO COc1cccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)c1 ZINC000095382532 209042674 /nfs/dbraw/zinc/04/26/74/209042674.db2.gz JISACJWSVNCNGO-OAQYLSRUSA-N 1 0 364.489 3.676 50 0 FHAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000095383254 209042738 /nfs/dbraw/zinc/04/27/38/209042738.db2.gz CGNOUZJJJZKXHW-UHYCVJNDSA-N 1 0 368.525 3.827 50 0 FHAARO COc1cc(F)c(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)cc1OC ZINC000095384346 209043003 /nfs/dbraw/zinc/04/30/03/209043003.db2.gz FUWZLRLGKXRXJP-FUHWJXTLSA-N 1 0 362.489 3.539 50 0 FHAARO COc1ccc([C@@H]2C[N@H+](Cc3cccs3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095390957 209047270 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0 FHAARO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000056207915 221079216 /nfs/dbraw/zinc/07/92/16/221079216.db2.gz AFRALTQMHVWBAB-SFHVURJKSA-N 1 0 362.477 3.665 50 0 FHAARO C[NH+](C)Cc1cccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)c1 ZINC000057207765 221085076 /nfs/dbraw/zinc/08/50/76/221085076.db2.gz GFPROLGPFFWPRA-UHFFFAOYSA-N 1 0 356.441 3.574 50 0 FHAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2c1ccc(F)c(Br)c1 ZINC000061718189 221134443 /nfs/dbraw/zinc/13/44/43/221134443.db2.gz VECHMBSCRWVRIG-WBVHZDCISA-N 1 0 361.214 3.513 50 0 FHAARO CN(C)C(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095507823 209067154 /nfs/dbraw/zinc/06/71/54/209067154.db2.gz PVVSRFJEPHCQOV-UHFFFAOYSA-N 1 0 350.890 3.828 50 0 FHAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3c(C)noc3C)C2)cc1 ZINC000095512144 209068861 /nfs/dbraw/zinc/06/88/61/209068861.db2.gz LZCGGYBNHZMWCC-HXUWFJFHSA-N 1 0 371.525 3.687 50 0 FHAARO C[N@@H+]1CC[C@@](C)(CNC(=O)Nc2cccc(OCc3ccccc3)c2)C1 ZINC000095515175 209070223 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O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000001458239 570500759 /nfs/dbraw/zinc/50/07/59/570500759.db2.gz FGGSPQOQORSWMW-OAQYLSRUSA-N 1 0 366.505 3.973 50 0 FHAARO c1ccc(-c2nn(-c3ccccc3)[n+](-c3nc4ccccc4s3)n2)cc1 ZINC000002504795 570522635 /nfs/dbraw/zinc/52/26/35/570522635.db2.gz DWDVLDVLHQHOPL-UHFFFAOYSA-N 1 0 356.434 3.821 50 0 FHAARO Cc1ccccc1C(=O)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515214 570523070 /nfs/dbraw/zinc/52/30/70/570523070.db2.gz ZQHGJHYXDBQQSO-UHFFFAOYSA-N 1 0 351.446 3.565 50 0 FHAARO OCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000002861588 570539710 /nfs/dbraw/zinc/53/97/10/570539710.db2.gz WYUNXURLJKQLDY-UHFFFAOYSA-N 1 0 370.674 3.763 50 0 FHAARO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000004019481 570573129 /nfs/dbraw/zinc/57/31/29/570573129.db2.gz SLMWKNYKHBTVTM-FTBFDPLKSA-N 1 0 352.478 3.513 50 0 FHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000248108739 570596921 /nfs/dbraw/zinc/59/69/21/570596921.db2.gz PYMXNNIMDSDOCG-QINHECLXSA-N 1 0 369.509 3.513 50 0 FHAARO C[C@H](CCc1ccccc1)NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000248158957 570599314 /nfs/dbraw/zinc/59/93/14/570599314.db2.gz FMSDKKOEGFKTPK-KNQAVFIVSA-N 1 0 350.506 3.831 50 0 FHAARO Cc1ncsc1CN(Cc1ccccc1)C(=O)NCC[NH+]1CCCCC1 ZINC000426435048 570605122 /nfs/dbraw/zinc/60/51/22/570605122.db2.gz WJBBDNXLXRBJKE-UHFFFAOYSA-N 1 0 372.538 3.649 50 0 FHAARO Cc1nc([C@H](C)N(C)C(=O)NCc2cn3c(cccc3C)n2)c(C)s1 ZINC000426475291 570607054 /nfs/dbraw/zinc/60/70/54/570607054.db2.gz AWAMPYWKQXXIEX-LBPRGKRZSA-N 1 0 357.483 3.619 50 0 FHAARO CC(=O)c1ccc(-c2ccc(C(=O)NCC[C@H]3CCC[N@H+]3C)cc2)s1 ZINC000426503171 570613266 /nfs/dbraw/zinc/61/32/66/570613266.db2.gz YFRBGLKHNZRAHG-QGZVFWFLSA-N 1 0 356.491 3.832 50 0 FHAARO Cc1ccc(-c2cccc(C(=O)NCC3(C[NH+]4CCCC4)CC3)c2)c(C)n1 ZINC000426537734 570614936 /nfs/dbraw/zinc/61/49/36/570614936.db2.gz RTOBIZIPQKUZOG-UHFFFAOYSA-N 1 0 363.505 3.971 50 0 FHAARO Cc1noc(C)c1CN(C)[C@@H]1CCCC[C@H]1[N@H+](C)Cc1c(C)noc1C ZINC000252512222 570623760 /nfs/dbraw/zinc/62/37/60/570623760.db2.gz OESRMVNJBNZROF-WOJBJXKFSA-N 1 0 360.502 3.771 50 0 FHAARO COCc1ccccc1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000071913338 570663183 /nfs/dbraw/zinc/66/31/83/570663183.db2.gz NEZFNPCCKBREPH-GOSISDBHSA-N 1 0 373.522 3.531 50 0 FHAARO COc1ccc(C)cc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000002858302 570675571 /nfs/dbraw/zinc/67/55/71/570675571.db2.gz QMMHBCWAIRGSNJ-UHFFFAOYSA-N 1 0 353.466 3.790 50 0 FHAARO Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)cc1 ZINC000004978414 570676211 /nfs/dbraw/zinc/67/62/11/570676211.db2.gz UOPFIWYXBIHPIP-RTWAWAEBSA-N 1 0 366.486 3.715 50 0 FHAARO Cc1ccc(NC(=O)Nc2nnc(SCC[NH+]3CCCC3)s2)cc1 ZINC000005253151 570677624 /nfs/dbraw/zinc/67/76/24/570677624.db2.gz PBPMAJBBCVMHAI-UHFFFAOYSA-N 1 0 363.512 3.678 50 0 FHAARO COc1ccccc1[N+]1=C2CCCCN2[C@](O)(c2ccc(Cl)cc2)C1 ZINC000002966234 570678465 /nfs/dbraw/zinc/67/84/65/570678465.db2.gz VOORNZAPIFXLDN-HXUWFJFHSA-N 1 0 357.861 3.609 50 0 FHAARO CC[N@@H+]1CCC[C@H](C(=O)NCc2cccnc2Oc2ccccc2C)C1 ZINC000012193893 570725808 /nfs/dbraw/zinc/72/58/08/570725808.db2.gz GCJBAAODDKUHCM-SFHVURJKSA-N 1 0 353.466 3.530 50 0 FHAARO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC000012206178 570727598 /nfs/dbraw/zinc/72/75/98/570727598.db2.gz OXOYWRAIJPZUFR-QFIPXVFZSA-N 1 0 374.488 3.908 50 0 FHAARO COCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012301531 570733900 /nfs/dbraw/zinc/73/39/00/570733900.db2.gz CZKHWSGEPTVPMU-QFIPXVFZSA-N 1 0 358.526 3.661 50 0 FHAARO CN(C(=O)c1ccnc(Cl)c1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012702037 570756706 /nfs/dbraw/zinc/75/67/06/570756706.db2.gz KSLURRSIEVNONG-LJQANCHMSA-N 1 0 371.912 3.904 50 0 FHAARO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](O)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000012709316 570757213 /nfs/dbraw/zinc/75/72/13/570757213.db2.gz QVHSFWPLPMPVHY-OAQYLSRUSA-N 1 0 365.452 3.944 50 0 FHAARO O=C(Cc1c(F)cccc1F)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012718336 570758342 /nfs/dbraw/zinc/75/83/42/570758342.db2.gz RIVXRBVAXVIYIK-HNNXBMFYSA-N 1 0 350.453 3.811 50 0 FHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000012758124 570760222 /nfs/dbraw/zinc/76/02/22/570760222.db2.gz QZOKPRBMOIMNSR-NRFANRHFSA-N 1 0 361.432 3.791 50 0 FHAARO Cc1cccn2c(=O)cc(C[N@@H+]3CCc4sccc4[C@@H]3C3CC3)nc12 ZINC000012787779 570760844 /nfs/dbraw/zinc/76/08/44/570760844.db2.gz GVCRPLUZBYXJSI-IBGZPJMESA-N 1 0 351.475 3.574 50 0 FHAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(C)cc2)cc1 ZINC000012787971 570761043 /nfs/dbraw/zinc/76/10/43/570761043.db2.gz ZYOXEKOXIBZAJW-NRFANRHFSA-N 1 0 352.478 3.799 50 0 FHAARO O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012788693 570761394 /nfs/dbraw/zinc/76/13/94/570761394.db2.gz JSODCIXTILFYSU-INIZCTEOSA-N 1 0 363.288 3.927 50 0 FHAARO COc1cccc([C@@H](CNC(=O)Nc2ccccc2OC)[NH+]2CCCC2)c1 ZINC000012977118 570769922 /nfs/dbraw/zinc/76/99/22/570769922.db2.gz XIXQGWMBVMBGDA-LJQANCHMSA-N 1 0 369.465 3.662 50 0 FHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000012986325 570770877 /nfs/dbraw/zinc/77/08/77/570770877.db2.gz PTGSNAQEPSEDNK-LJQANCHMSA-N 1 0 355.434 3.828 50 0 FHAARO C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc(Cl)cc1 ZINC000013039946 570772827 /nfs/dbraw/zinc/77/28/27/570772827.db2.gz QUDBUVCSAUXJAL-CYBMUJFWSA-N 1 0 371.868 3.755 50 0 FHAARO CCCn1ncc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)c1C ZINC000013594966 570780503 /nfs/dbraw/zinc/78/05/03/570780503.db2.gz HSTRVJPGGIBHPU-SFHVURJKSA-N 1 0 355.482 3.705 50 0 FHAARO C[NH+](C)CCCNC(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000013654863 570782633 /nfs/dbraw/zinc/78/26/33/570782633.db2.gz XRTLUDMUVOHVAX-QGZVFWFLSA-N 1 0 360.885 3.636 50 0 FHAARO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2ccnc2)cc1 ZINC000032740416 570789482 /nfs/dbraw/zinc/78/94/82/570789482.db2.gz WUGQAYMEBRMLHU-UHFFFAOYSA-N 1 0 361.424 3.665 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000014061953 570802769 /nfs/dbraw/zinc/80/27/69/570802769.db2.gz QOGAKDLSKWHCLD-SFHVURJKSA-N 1 0 368.868 3.763 50 0 FHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2ccccc2oc1=O ZINC000014086646 570804218 /nfs/dbraw/zinc/80/42/18/570804218.db2.gz FHVMQPCRRHTARH-UHFFFAOYSA-N 1 0 364.445 3.565 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000012382534 570813455 /nfs/dbraw/zinc/81/34/55/570813455.db2.gz VMDMWVCGZUFOFA-UHFFFAOYSA-N 1 0 359.695 3.705 50 0 FHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000014314180 570817637 /nfs/dbraw/zinc/81/76/37/570817637.db2.gz OIOSUADTRADDOJ-UHFFFAOYSA-N 1 0 372.468 3.909 50 0 FHAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccccc1 ZINC000014745792 570822854 /nfs/dbraw/zinc/82/28/54/570822854.db2.gz XVESWIHSMFIITB-SFHVURJKSA-N 1 0 371.525 3.535 50 0 FHAARO O=C1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)N1CCCc1ccccc1 ZINC000014992410 570828254 /nfs/dbraw/zinc/82/82/54/570828254.db2.gz HFVWAPQHWZTIQR-NRFANRHFSA-N 1 0 354.469 3.929 50 0 FHAARO CC(C)Cc1ccc(C[N@H+]2CCC(=O)N(Cc3ccncc3)CC2)cc1 ZINC000015002972 570828452 /nfs/dbraw/zinc/82/84/52/570828452.db2.gz LYTICKHZIQZELU-UHFFFAOYSA-N 1 0 351.494 3.515 50 0 FHAARO CCN(Cc1nccs1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000015067167 570830866 /nfs/dbraw/zinc/83/08/66/570830866.db2.gz XMYIYEDTLRYFED-LJQANCHMSA-N 1 0 373.566 3.928 50 0 FHAARO O=C1CC[N@@H+](Cc2cc3ccccc3[nH]2)CCN1Cc1cccc(F)c1 ZINC000015067290 570831042 /nfs/dbraw/zinc/83/10/42/570831042.db2.gz PUCPCQQUWJHIOF-UHFFFAOYSA-N 1 0 351.425 3.542 50 0 FHAARO O=C(c1ccoc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000015067598 570831080 /nfs/dbraw/zinc/83/10/80/570831080.db2.gz HKNCDVCLYKOFLE-HXUWFJFHSA-N 1 0 360.404 3.686 50 0 FHAARO C[N@@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@H]1COCCO1 ZINC000015073752 570831884 /nfs/dbraw/zinc/83/18/84/570831884.db2.gz QPAOOSGTWWDETL-NRFANRHFSA-N 1 0 363.461 3.591 50 0 FHAARO O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccccc1-c1ncc[nH]1 ZINC000015079028 570832527 /nfs/dbraw/zinc/83/25/27/570832527.db2.gz DLYYQOBAJBATQP-GOSISDBHSA-N 1 0 366.509 3.851 50 0 FHAARO C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21)c1ccc2c(c1)OCO2 ZINC000015291678 570836818 /nfs/dbraw/zinc/83/68/18/570836818.db2.gz OYELSPUMAYANNP-DNVCBOLYSA-N 1 0 366.461 3.602 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)no2)cc1 ZINC000015859723 570846147 /nfs/dbraw/zinc/84/61/47/570846147.db2.gz CZCAYPMWXOGNTE-INIZCTEOSA-N 1 0 355.463 3.744 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)no2)cc1 ZINC000015859720 570846180 /nfs/dbraw/zinc/84/61/80/570846180.db2.gz FSDYKOYRZCICMV-HXUWFJFHSA-N 1 0 363.461 3.991 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCCCC2)o1 ZINC000015860184 570846234 /nfs/dbraw/zinc/84/62/34/570846234.db2.gz MXVHZLGCVARROQ-IBGZPJMESA-N 1 0 356.466 3.619 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCC2)o1 ZINC000015860226 570846491 /nfs/dbraw/zinc/84/64/91/570846491.db2.gz BACKSAYIAVCDJY-KRWDZBQOSA-N 1 0 362.857 3.574 50 0 FHAARO CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](CC)CC1 ZINC000016602595 570858699 /nfs/dbraw/zinc/85/86/99/570858699.db2.gz GJFQGXKRVIUJSM-OAHLLOKOSA-N 1 0 359.297 3.751 50 0 FHAARO Cc1cc(C)c([C@@H](C)NC(=O)C[NH2+]CCOc2ccccc2F)cc1C ZINC000016695489 570861134 /nfs/dbraw/zinc/86/11/34/570861134.db2.gz LXXVMOBCOLCWSO-QGZVFWFLSA-N 1 0 358.457 3.597 50 0 FHAARO CCC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983536 570866176 /nfs/dbraw/zinc/86/61/76/570866176.db2.gz BXZTWFPRDKOTPY-LEWJYISDSA-N 1 0 370.468 3.982 50 0 FHAARO CCOc1cc(/C=C/C(=O)NCC2([NH+](C)C)CCCCCC2)ccc1OC ZINC000024583281 570867911 /nfs/dbraw/zinc/86/79/11/570867911.db2.gz OOORNHUFFHHTHB-ACCUITESSA-N 1 0 374.525 3.878 50 0 FHAARO Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000019372531 570888158 /nfs/dbraw/zinc/88/81/58/570888158.db2.gz YBPKOROBZPUQOJ-UHFFFAOYSA-N 1 0 353.510 3.918 50 0 FHAARO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000107053173 570894700 /nfs/dbraw/zinc/89/47/00/570894700.db2.gz GBSOZZTXUXRUSH-DYESRHJHSA-N 1 0 368.477 3.656 50 0 FHAARO Clc1cccc(-c2cccc(N3CCC([NH2+]Cc4nnc[nH]4)CC3)c2)c1 ZINC000019760208 570902356 /nfs/dbraw/zinc/90/23/56/570902356.db2.gz OQNWZEQZSZFLQC-UHFFFAOYSA-N 1 0 367.884 3.884 50 0 FHAARO O=C1C[C@@H]([NH+]2CCCCCC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000020272026 570914505 /nfs/dbraw/zinc/91/45/05/570914505.db2.gz WCBMDQNIJDCMCI-HXUWFJFHSA-N 1 0 364.445 3.987 50 0 FHAARO COc1ccc([C@@](O)(C(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440737 570916158 /nfs/dbraw/zinc/91/61/58/570916158.db2.gz CELUSTIGOWCGPD-GOTSBHOMSA-N 1 0 369.505 3.655 50 0 FHAARO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000045974073 570916980 /nfs/dbraw/zinc/91/69/80/570916980.db2.gz XCBFRRCNWRZRAE-UHFFFAOYSA-N 1 0 365.477 3.814 50 0 FHAARO CC1CC[NH+](CCNc2ncnc3onc(-c4ccc(F)cc4)c32)CC1 ZINC000020574520 570920552 /nfs/dbraw/zinc/92/05/52/570920552.db2.gz AQIRRXVITRVORY-UHFFFAOYSA-N 1 0 355.417 3.568 50 0 FHAARO CCCc1nn2c(nc(C[N@@H+](Cc3ccccc3)CC(C)C)cc2=O)s1 ZINC000046032190 570920612 /nfs/dbraw/zinc/92/06/12/570920612.db2.gz VJGXQBODXRDKFI-UHFFFAOYSA-N 1 0 370.522 3.762 50 0 FHAARO C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022015245 570937160 /nfs/dbraw/zinc/93/71/60/570937160.db2.gz GSQRMJVDSOOVPP-KRWDZBQOSA-N 1 0 371.912 3.527 50 0 FHAARO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CC[NH+](C)CC1 ZINC000022279231 570942933 /nfs/dbraw/zinc/94/29/33/570942933.db2.gz NGOGGPBAVKNMGW-UHFFFAOYSA-N 1 0 374.488 3.672 50 0 FHAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1[nH]nc2ccccc21 ZINC000022619605 570947894 /nfs/dbraw/zinc/94/78/94/570947894.db2.gz MDJOFLMXDIHEMX-SFHVURJKSA-N 1 0 368.868 3.783 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2s1)c1cccs1 ZINC000022759672 570949680 /nfs/dbraw/zinc/94/96/80/570949680.db2.gz YPEYHXOANASTSR-CQSZACIVSA-N 1 0 359.520 3.710 50 0 FHAARO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000022804463 570950064 /nfs/dbraw/zinc/95/00/64/570950064.db2.gz RTUNJAOKVMRPCL-CRAIPNDOSA-N 1 0 359.445 3.563 50 0 FHAARO Fc1ccc(-c2ccc(C[NH2+]CCc3nnc4ccccn43)s2)cc1 ZINC000022817783 570950264 /nfs/dbraw/zinc/95/02/64/570950264.db2.gz ODHRKBRIIDWABD-UHFFFAOYSA-N 1 0 352.438 3.929 50 0 FHAARO CCOc1cc2c(cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1)O[C@H](C)C2 ZINC000022933807 570953981 /nfs/dbraw/zinc/95/39/81/570953981.db2.gz CUOMTNSDJHCUTN-APWZRJJASA-N 1 0 370.493 3.928 50 0 FHAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000022936083 570954103 /nfs/dbraw/zinc/95/41/03/570954103.db2.gz ILCXRIQVIIZCKC-LJQANCHMSA-N 1 0 372.484 3.987 50 0 FHAARO COc1cc(OC)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(C)C)C2)c(OC)c1 ZINC000023129968 570956873 /nfs/dbraw/zinc/95/68/73/570956873.db2.gz ZNYHGKCYZNUROQ-OAHLLOKOSA-N 1 0 373.497 3.939 50 0 FHAARO C[C@@H]([NH2+]Cc1c(C(=O)N2CCCCC2)nc2sccn12)c1cccs1 ZINC000023310336 570961461 /nfs/dbraw/zinc/96/14/61/570961461.db2.gz GEILZHMRLYUJFY-CYBMUJFWSA-N 1 0 374.535 3.934 50 0 FHAARO CCN(Cc1cc(C)n[nH]1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000023338644 570961633 /nfs/dbraw/zinc/96/16/33/570961633.db2.gz XZPLOWXLJSBGFX-FQEVSTJZSA-N 1 0 370.541 3.503 50 0 FHAARO Cc1nc([C@@H](C)[NH2+]C2CCN(c3cccc(-n4cccn4)c3)CC2)cs1 ZINC000023368231 570962319 /nfs/dbraw/zinc/96/23/19/570962319.db2.gz PLSYAUVVGMLZKP-OAHLLOKOSA-N 1 0 367.522 3.957 50 0 FHAARO O=C(CCCOc1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189693 570972683 /nfs/dbraw/zinc/97/26/83/570972683.db2.gz HTZNMOZDAGHDMP-UHFFFAOYSA-N 1 0 352.478 3.758 50 0 FHAARO O=C(NCc1ccc(Cl)s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000024745124 570981113 /nfs/dbraw/zinc/98/11/13/570981113.db2.gz MUYGRDMRQOPCJJ-UHFFFAOYSA-N 1 0 363.914 3.865 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000024864015 570984388 /nfs/dbraw/zinc/98/43/88/570984388.db2.gz MTQJEIZBOLANDM-FQEVSTJZSA-N 1 0 355.482 3.578 50 0 FHAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCSc3ccc(Cl)cc32)no1 ZINC000025217014 570992628 /nfs/dbraw/zinc/99/26/28/570992628.db2.gz VTOZEWGSHHXBTO-ZWNOBZJWSA-N 1 0 351.859 3.790 50 0 FHAARO COCc1c2ccccc2oc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025329245 570994063 /nfs/dbraw/zinc/99/40/63/570994063.db2.gz IMCDLHLYGVMKJG-MRXNPFEDSA-N 1 0 358.463 3.673 50 0 FHAARO CSc1ncccc1C(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025536647 570996932 /nfs/dbraw/zinc/99/69/32/570996932.db2.gz HWURZQOHMMJDTK-LJQANCHMSA-N 1 0 369.534 3.616 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccco2)on1)c1ccccc1 ZINC000027087769 571010090 /nfs/dbraw/zinc/01/00/90/571010090.db2.gz JDNJWZDCXFIPDY-KRWDZBQOSA-N 1 0 353.422 3.748 50 0 FHAARO O=C(COc1ccccc1Cl)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027582135 571014489 /nfs/dbraw/zinc/01/44/89/571014489.db2.gz KFODRLJOSYLUCI-OAHLLOKOSA-N 1 0 364.898 3.734 50 0 FHAARO COc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027747898 571019895 /nfs/dbraw/zinc/01/98/95/571019895.db2.gz JGGGGOPNCBGYGC-GOSISDBHSA-N 1 0 358.507 3.643 50 0 FHAARO CC[C@@H]1CCN(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)[C@@H]1C ZINC000225407298 571033658 /nfs/dbraw/zinc/03/36/58/571033658.db2.gz NAEYBSNWYFKLSF-CHWSQXEVSA-N 1 0 352.862 3.560 50 0 FHAARO Cc1oc(C(=O)NC[C@]2(C)CC[N@@H+](C)C2)cc1COc1ccc(C)cc1 ZINC000670472112 571049284 /nfs/dbraw/zinc/04/92/84/571049284.db2.gz OBIYXDCEDOCJIM-NRFANRHFSA-N 1 0 356.466 3.547 50 0 FHAARO COCC[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C1CCSCC1 ZINC000225672384 571054675 /nfs/dbraw/zinc/05/46/75/571054675.db2.gz UTDZAKJUHVIKNB-UHFFFAOYSA-N 1 0 364.555 3.767 50 0 FHAARO C[C@H]1C[NH+](CCCNC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000012733543 571058173 /nfs/dbraw/zinc/05/81/73/571058173.db2.gz YIHDQEJFWRGHQH-RYUDHWBXSA-N 1 0 360.285 3.614 50 0 FHAARO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000012733540 571058238 /nfs/dbraw/zinc/05/82/38/571058238.db2.gz YIHDQEJFWRGHQH-TXEJJXNPSA-N 1 0 360.285 3.614 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)cc3F)cc2C)CC1 ZINC000008780472 571062034 /nfs/dbraw/zinc/06/20/34/571062034.db2.gz YITDVLSXEVGSFC-UHFFFAOYSA-N 1 0 371.456 3.537 50 0 FHAARO O=C(c1ccccc1)N1CC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000225770913 571064490 /nfs/dbraw/zinc/06/44/90/571064490.db2.gz FBOGFRDZMNOUJC-WMZHIEFXSA-N 1 0 371.484 3.923 50 0 FHAARO O=C(c1ccccc1)N1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000225770934 571064537 /nfs/dbraw/zinc/06/45/37/571064537.db2.gz FBOGFRDZMNOUJC-XXBNENTESA-N 1 0 371.484 3.923 50 0 FHAARO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1OC ZINC000022078083 571071519 /nfs/dbraw/zinc/07/15/19/571071519.db2.gz STTKBBNUQHXQAG-KNQAVFIVSA-N 1 0 358.526 3.933 50 0 FHAARO COc1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1OC ZINC000022860364 571071555 /nfs/dbraw/zinc/07/15/55/571071555.db2.gz WZXQIVKQISBHGM-FPOVZHCZSA-N 1 0 358.526 3.933 50 0 FHAARO COc1ccccc1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000040107120 571078164 /nfs/dbraw/zinc/07/81/64/571078164.db2.gz JNVOCKAOYRORCC-SFHVURJKSA-N 1 0 366.505 3.786 50 0 FHAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc[nH]c2=S)C1 ZINC000040112279 571079290 /nfs/dbraw/zinc/07/92/90/571079290.db2.gz YXNZZADBJCODRF-HNNXBMFYSA-N 1 0 355.507 3.532 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](C)[N@H+]3C[C@H](C)C[C@H](C)C3)no2)cc1 ZINC000227156152 571086486 /nfs/dbraw/zinc/08/64/86/571086486.db2.gz AAHHKUZURBSFGS-IXDOHACOSA-N 1 0 355.482 3.746 50 0 FHAARO COCc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)sc2cccc(F)c21 ZINC000229713880 571095049 /nfs/dbraw/zinc/09/50/49/571095049.db2.gz WNAUNNQWHHAPLQ-GJZGRUSLSA-N 1 0 362.470 3.543 50 0 FHAARO CCC[NH+]1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC000033010930 571098975 /nfs/dbraw/zinc/09/89/75/571098975.db2.gz XMPDYWDBAIDZHC-UHFFFAOYSA-N 1 0 350.441 3.968 50 0 FHAARO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012781760 571099030 /nfs/dbraw/zinc/09/90/30/571099030.db2.gz GVXYZJRGROXQAZ-QZTJIDSGSA-N 1 0 365.477 3.673 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1noc2c1CSc1ccccc1-2 ZINC000015674064 571101851 /nfs/dbraw/zinc/10/18/51/571101851.db2.gz BEFZNMUXOBNQBI-AWEZNQCLSA-N 1 0 371.506 3.942 50 0 FHAARO CC[N@H+](CCCNC(=O)Cc1noc2ccc(C)cc12)Cc1ccccc1 ZINC000015675089 571101928 /nfs/dbraw/zinc/10/19/28/571101928.db2.gz HUDDDSITTMPPIO-UHFFFAOYSA-N 1 0 365.477 3.707 50 0 FHAARO CC(=O)c1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000005041553 571102837 /nfs/dbraw/zinc/10/28/37/571102837.db2.gz CMYYDZVEPNBGRO-UHFFFAOYSA-N 1 0 351.450 3.675 50 0 FHAARO C[NH2+]CCN(C)C(=O)c1ccc(-c2ccc(OC)c(C(F)(F)F)c2)cc1 ZINC000426641596 571105134 /nfs/dbraw/zinc/10/51/34/571105134.db2.gz VOYKOPOKRADYHO-UHFFFAOYSA-N 1 0 366.383 3.672 50 0 FHAARO COc1ccc(-c2ccccc2)cc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000240128358 571108995 /nfs/dbraw/zinc/10/89/95/571108995.db2.gz IQHHSNRWGNDLMY-SFHVURJKSA-N 1 0 351.450 3.674 50 0 FHAARO Cc1[nH]c2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc2c1C ZINC000009515643 571111955 /nfs/dbraw/zinc/11/19/55/571111955.db2.gz URFYXNKYMQJHFU-LJQANCHMSA-N 1 0 351.450 3.945 50 0 FHAARO CN(CCOc1cccc(Cl)c1)c1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244574994 571113459 /nfs/dbraw/zinc/11/34/59/571113459.db2.gz CUVBMYJBPDQJAX-KOMQPUFPSA-N 1 0 372.900 3.727 50 0 FHAARO COCCc1noc([C@H]2CCC[N@H+](Cc3cc(C4CCCCC4)no3)C2)n1 ZINC000244716118 571115062 /nfs/dbraw/zinc/11/50/62/571115062.db2.gz LIUPAGXFDUGXLE-INIZCTEOSA-N 1 0 374.485 3.674 50 0 FHAARO Cc1cc(-c2ccccc2)nc(C[NH+]2CCC(CCn3cccn3)CC2)n1 ZINC000244718685 571115469 /nfs/dbraw/zinc/11/54/69/571115469.db2.gz LOZBSHVDKLFNTO-UHFFFAOYSA-N 1 0 361.493 3.951 50 0 FHAARO O=C(Cc1cccc2ccccc21)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085473175 571117336 /nfs/dbraw/zinc/11/73/36/571117336.db2.gz PLTCWVGHFHEZEQ-FQEVSTJZSA-N 1 0 368.546 3.812 50 0 FHAARO CC(C)[C@@H](C)[N@H+](Cc1ccco1)Cc1cn(CC(N)=O)c2ccccc12 ZINC000055166924 571117485 /nfs/dbraw/zinc/11/74/85/571117485.db2.gz WOIZKVIIMTYYAH-MRXNPFEDSA-N 1 0 353.466 3.766 50 0 FHAARO CC(C)Cc1noc([C@@H]2CCC[N@H+](Cc3cc(-c4cccnc4)no3)C2)n1 ZINC000244874280 571118089 /nfs/dbraw/zinc/11/80/89/571118089.db2.gz WXZVDTVRUGXYQD-MRXNPFEDSA-N 1 0 367.453 3.698 50 0 FHAARO CC(C)Cc1noc([C@H]2CCC[N@H+](Cc3cc(-c4cccnc4)no3)C2)n1 ZINC000244874279 571118344 /nfs/dbraw/zinc/11/83/44/571118344.db2.gz WXZVDTVRUGXYQD-INIZCTEOSA-N 1 0 367.453 3.698 50 0 FHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cccnc2NC(=O)C(C)(C)C)c1 ZINC000055283553 571119180 /nfs/dbraw/zinc/11/91/80/571119180.db2.gz LFCKXVPHIRPJQO-MRXNPFEDSA-N 1 0 354.498 3.833 50 0 FHAARO COc1ccc(CN(C(=O)CC2=CC[NH2+]CC2)C(C)C)c2ccccc12 ZINC000055358166 571119620 /nfs/dbraw/zinc/11/96/20/571119620.db2.gz ZBDLXTNYSDCATO-UHFFFAOYSA-N 1 0 352.478 3.895 50 0 FHAARO COc1cc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)cc2c1OCO2 ZINC000055413806 571120572 /nfs/dbraw/zinc/12/05/72/571120572.db2.gz UJCLIVNUZPGCBF-UHFFFAOYSA-N 1 0 369.396 3.585 50 0 FHAARO Fc1ccc(C[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)cc1F ZINC000055568972 571120952 /nfs/dbraw/zinc/12/09/52/571120952.db2.gz XTQWEYVAKGBDPU-SFHVURJKSA-N 1 0 352.388 3.984 50 0 FHAARO CCCCc1ccc(-n2cc(C[NH2+][C@@H](C)Cc3cc(C)n[nH]3)cn2)cc1 ZINC000055575534 571121166 /nfs/dbraw/zinc/12/11/66/571121166.db2.gz WCQPVRSTFKLGIF-INIZCTEOSA-N 1 0 351.498 3.967 50 0 FHAARO Cc1nc(NC2CCCCC2)sc1C(=O)NCCC[NH+]1CCCCC1 ZINC000071326746 571121773 /nfs/dbraw/zinc/12/17/73/571121773.db2.gz XQERBCSMPHWQOK-UHFFFAOYSA-N 1 0 364.559 3.802 50 0 FHAARO CC(C)([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc2c(c1)OCO2 ZINC000058143420 571125655 /nfs/dbraw/zinc/12/56/55/571125655.db2.gz FBSGZJDBPDTSFF-UHFFFAOYSA-N 1 0 361.825 3.865 50 0 FHAARO COCC[NH2+]Cc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000247824649 571125716 /nfs/dbraw/zinc/12/57/16/571125716.db2.gz FJXCRZZSFZQNMV-UHFFFAOYSA-N 1 0 374.847 3.522 50 0 FHAARO CC(C)[N@@H+]1CCN(Cc2ccc(N(C)c3ccccc3)cc2)C[C@H]1CCO ZINC000104545731 571126214 /nfs/dbraw/zinc/12/62/14/571126214.db2.gz MICNLUMOVGBWHU-HSZRJFAPSA-N 1 0 367.537 3.732 50 0 FHAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000058160465 571126347 /nfs/dbraw/zinc/12/63/47/571126347.db2.gz QHASEGQNLLEDTF-CYBMUJFWSA-N 1 0 371.868 3.522 50 0 FHAARO CCC[NH+]1CCC(CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000058163218 571126651 /nfs/dbraw/zinc/12/66/51/571126651.db2.gz UGBXANZZSXOKIB-UHFFFAOYSA-N 1 0 370.537 3.767 50 0 FHAARO CCOCCC[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000248287927 571128518 /nfs/dbraw/zinc/12/85/18/571128518.db2.gz HCKCFCTZMLJYKA-UHFFFAOYSA-N 1 0 368.456 3.649 50 0 FHAARO C[C@H]1CCC[C@@](CNC(=O)Nc2ccccc2-n2cccn2)([NH+](C)C)C1 ZINC000058368944 571131677 /nfs/dbraw/zinc/13/16/77/571131677.db2.gz BOJRSZWIBSVOIL-OXJNMPFZSA-N 1 0 355.486 3.504 50 0 FHAARO Cc1cccc2[nH]c([C@@H]3CCC[N@@H+]3CCC(=O)NCc3cccs3)nc21 ZINC000252484343 571132180 /nfs/dbraw/zinc/13/21/80/571132180.db2.gz FUMUHAYHHWRAKW-KRWDZBQOSA-N 1 0 368.506 3.776 50 0 FHAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000078499837 571141417 /nfs/dbraw/zinc/14/14/17/571141417.db2.gz ILBIJGHFEOWQAH-MRXNPFEDSA-N 1 0 363.889 3.630 50 0 FHAARO Cc1ccsc1CNc1ccccc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000065374314 571142071 /nfs/dbraw/zinc/14/20/71/571142071.db2.gz JFDYZOWFUDZOEF-MRXNPFEDSA-N 1 0 357.523 3.870 50 0 FHAARO Cc1cc(C)c2oc(=O)cc(C[N@H+](C)CC[C@H](O)c3ccccc3)c2c1 ZINC000065380798 571142356 /nfs/dbraw/zinc/14/23/56/571142356.db2.gz ZRJPMBZFHNBUGN-FQEVSTJZSA-N 1 0 351.446 3.965 50 0 FHAARO COC(=O)c1cccc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccccc4)c3)C2)n1 ZINC000065385570 571142617 /nfs/dbraw/zinc/14/26/17/571142617.db2.gz CCQKHTIIYAVLML-IBGZPJMESA-N 1 0 373.456 3.920 50 0 FHAARO Cc1ccc(C)c(NC(=O)CC[NH+]2CCC(Oc3cccnc3)CC2)c1 ZINC000065409782 571143222 /nfs/dbraw/zinc/14/32/22/571143222.db2.gz HAMCJJUQPAVECM-UHFFFAOYSA-N 1 0 353.466 3.570 50 0 FHAARO Cn1cc(C2=CC[N@H+](Cc3ccc4c5c3cccc5C(=O)OC4)CC2)cn1 ZINC000065434133 571143720 /nfs/dbraw/zinc/14/37/20/571143720.db2.gz UWGQBJWRXBALMB-UHFFFAOYSA-N 1 0 359.429 3.533 50 0 FHAARO CC(C)Cc1noc([C@@H]2CCC[N@H+](Cc3coc4ccccc4c3=O)C2)n1 ZINC000065492650 571144050 /nfs/dbraw/zinc/14/40/50/571144050.db2.gz CGDKVXDFXNXXLI-OAHLLOKOSA-N 1 0 367.449 3.754 50 0 FHAARO Cc1cnn(C)c1NC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000065492319 571144121 /nfs/dbraw/zinc/14/41/21/571144121.db2.gz CHYJBEYQADVUPK-INIZCTEOSA-N 1 0 363.465 3.569 50 0 FHAARO C[C@H](c1ccc2c(c1)OCCO2)[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000065502381 571144177 /nfs/dbraw/zinc/14/41/77/571144177.db2.gz CPCSWTNBMGXXBB-CQSZACIVSA-N 1 0 358.413 3.619 50 0 FHAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000012918153 571144765 /nfs/dbraw/zinc/14/47/65/571144765.db2.gz PSPBAPPKMZWSEN-YWZLYKJASA-N 1 0 356.441 3.849 50 0 FHAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000022024972 571146047 /nfs/dbraw/zinc/14/60/47/571146047.db2.gz QSXPFVVNUOPVTA-MJGOQNOKSA-N 1 0 355.482 3.732 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)CCSCc3ccccc3)cc2)CC1 ZINC000067602223 571147499 /nfs/dbraw/zinc/14/74/99/571147499.db2.gz HGDDEGBZEUPCIA-UHFFFAOYSA-N 1 0 369.534 3.700 50 0 FHAARO Cc1nc(C2CC[NH2+]CC2)cc(N2CCC[C@H]2CCc2ccccc2)n1 ZINC000067676005 571148048 /nfs/dbraw/zinc/14/80/48/571148048.db2.gz KTPONLADDAQDFI-FQEVSTJZSA-N 1 0 350.510 3.854 50 0 FHAARO Cc1ccc(-c2cc(O)c3c(c2)CN(c2cc(C)[nH+]c(N)n2)CCO3)s1 ZINC000067754863 571148821 /nfs/dbraw/zinc/14/88/21/571148821.db2.gz RELBDWUACMFVKI-UHFFFAOYSA-N 1 0 368.462 3.509 50 0 FHAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(CC[NH+]1CCCC1)CCO2 ZINC000067790437 571149712 /nfs/dbraw/zinc/14/97/12/571149712.db2.gz BKAWKJQGPUJMEJ-UHFFFAOYSA-N 1 0 352.478 3.658 50 0 FHAARO Cc1nc(N[C@H](C)c2cnn(-c3ccccc3)c2)cc(C2CC[NH2+]CC2)n1 ZINC000067847577 571150511 /nfs/dbraw/zinc/15/05/11/571150511.db2.gz NEHJBQNITUAVCC-OAHLLOKOSA-N 1 0 362.481 3.611 50 0 FHAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000067886441 571151173 /nfs/dbraw/zinc/15/11/73/571151173.db2.gz GDQUEWRNFUFJPK-OAHLLOKOSA-N 1 0 353.388 3.805 50 0 FHAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C[C@H]1CC[NH2+]C1)C2 ZINC000067894554 571151538 /nfs/dbraw/zinc/15/15/38/571151538.db2.gz RUJUFUTWXSIMGW-AWEZNQCLSA-N 1 0 358.869 3.517 50 0 FHAARO CC(C)C[C@@H](Nc1nc(-c2cccnc2)nc2c1CC[NH2+]C2)c1cccnc1 ZINC000067894244 571151619 /nfs/dbraw/zinc/15/16/19/571151619.db2.gz WVAMSFOYNPNKSX-LJQANCHMSA-N 1 0 374.492 3.779 50 0 FHAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C[C@H]2CCC[NH2+]C2)CCO3)s1 ZINC000067967401 571152595 /nfs/dbraw/zinc/15/25/95/571152595.db2.gz XGDJYIZQZZKAHX-HNNXBMFYSA-N 1 0 358.507 3.623 50 0 FHAARO O=C([C@H]1CCC[NH2+]1)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067975375 571152866 /nfs/dbraw/zinc/15/28/66/571152866.db2.gz QEKMSQSBRXSMOJ-HXUWFJFHSA-N 1 0 373.456 3.645 50 0 FHAARO O=C(Cc1ccc(Cl)cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023016821 571153119 /nfs/dbraw/zinc/15/31/19/571153119.db2.gz JKDRDUUFMVEBRM-UHFFFAOYSA-N 1 0 362.926 3.972 50 0 FHAARO Cc1nc(-c2cccc(-n3ccnc3C3CC[NH+](C(C)C)CC3)c2)n[nH]1 ZINC000071730427 571164059 /nfs/dbraw/zinc/16/40/59/571164059.db2.gz QLXCINYDLUKAEK-UHFFFAOYSA-N 1 0 350.470 3.554 50 0 FHAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3ccc4ccccc4c3)oc2C)C1 ZINC000071759643 571165583 /nfs/dbraw/zinc/16/55/83/571165583.db2.gz PYYLVUVSEVUKDC-LJQANCHMSA-N 1 0 363.461 3.761 50 0 FHAARO Cn1ccnc1-c1nccn1C[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000071764036 571165819 /nfs/dbraw/zinc/16/58/19/571165819.db2.gz LVLPXEHVZIWSJJ-SFHVURJKSA-N 1 0 353.445 3.650 50 0 FHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)o1 ZINC000072121628 571170080 /nfs/dbraw/zinc/17/00/80/571170080.db2.gz UHRHWRIMSAQSAC-AWEZNQCLSA-N 1 0 362.420 3.762 50 0 FHAARO COCCC[C@H]1CCCN(C(=O)c2cccc(CC3CC[NH2+]CC3)c2)C1 ZINC000072140053 571172006 /nfs/dbraw/zinc/17/20/06/571172006.db2.gz ZDBYEEWTMIJRTL-LJQANCHMSA-N 1 0 358.526 3.508 50 0 FHAARO c1cc(-c2ccc(C[NH+]3CCC(OCc4cccnc4)CC3)s2)n[nH]1 ZINC000072144649 571172553 /nfs/dbraw/zinc/17/25/53/571172553.db2.gz IUDTZOMKBUDYCN-UHFFFAOYSA-N 1 0 354.479 3.714 50 0 FHAARO COc1ccc(C(=O)NC[C@H](c2cc3ccccc3o2)[NH+](C)C)cc1F ZINC000575620599 571172830 /nfs/dbraw/zinc/17/28/30/571172830.db2.gz LEQIRMXUOBZMKI-MRXNPFEDSA-N 1 0 356.397 3.613 50 0 FHAARO CC(C)Cn1cncc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072147858 571173785 /nfs/dbraw/zinc/17/37/85/571173785.db2.gz ZQMUUDHSCLKZOU-YTFSRNRJSA-N 1 0 364.537 3.601 50 0 FHAARO CN(C)N1c2ccccc2[C@](CC[NH2+]C(C)(C)C)(c2ccccc2)C1=O ZINC000002006987 571174318 /nfs/dbraw/zinc/17/43/18/571174318.db2.gz GMOWDNZRRJEKQQ-QFIPXVFZSA-N 1 0 351.494 3.574 50 0 FHAARO O=C(c1cccc2ncccc21)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000072150442 571174345 /nfs/dbraw/zinc/17/43/45/571174345.db2.gz STGZZULSNOACIU-HXUWFJFHSA-N 1 0 371.484 3.898 50 0 FHAARO Cc1nccc(-c2cccc(NC(=O)c3ccccc3[C@@H]3CC[NH2+]C3)c2)n1 ZINC000072153853 571174611 /nfs/dbraw/zinc/17/46/11/571174611.db2.gz USAFQWNOCSERFO-QGZVFWFLSA-N 1 0 358.445 3.781 50 0 FHAARO Cc1cc(N[C@@H](C)c2nc(C3CC3)no2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190796763 571174723 /nfs/dbraw/zinc/17/47/23/571174723.db2.gz DDHCKUBZXXCUTJ-INIZCTEOSA-N 1 0 369.513 3.959 50 0 FHAARO Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000072172847 571177811 /nfs/dbraw/zinc/17/78/11/571177811.db2.gz QBGPPYOCABFRDV-OAQYLSRUSA-N 1 0 365.452 3.961 50 0 FHAARO Cc1nc([C@]2(O)CCC[NH2+]CC2)sc1CCOc1ccc(Cl)cc1 ZINC000072343617 571179796 /nfs/dbraw/zinc/17/97/96/571179796.db2.gz UNQKUKZBQQTPTL-SFHVURJKSA-N 1 0 366.914 3.688 50 0 FHAARO C[N@H+](CCC(=O)NC1CCCCC1)Cc1ccccc1N1CCCCC1 ZINC000012554205 571180477 /nfs/dbraw/zinc/18/04/77/571180477.db2.gz JUENTDIYDDXYIO-UHFFFAOYSA-N 1 0 357.542 3.948 50 0 FHAARO Fc1ccc(-c2n[nH]cc2CN2CC[NH2+][C@H](c3ccccc3)C2)c(F)c1 ZINC000072410097 571191705 /nfs/dbraw/zinc/19/17/05/571191705.db2.gz BSBZHFNYBRYSKI-IBGZPJMESA-N 1 0 354.404 3.501 50 0 FHAARO [NH3+]C[C@@H]1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000072409994 571191731 /nfs/dbraw/zinc/19/17/31/571191731.db2.gz QKVGUKMDLLWCLK-ZDUSSCGKSA-N 1 0 353.853 3.909 50 0 FHAARO O=C(Nc1ccc(-c2ccco2)cc1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000299756405 571192175 /nfs/dbraw/zinc/19/21/75/571192175.db2.gz DPRKWUFSNRQXRP-LJQANCHMSA-N 1 0 369.465 3.665 50 0 FHAARO Cc1nccnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000072420014 571192962 /nfs/dbraw/zinc/19/29/62/571192962.db2.gz BQCYMEWNJKOWKE-HXUWFJFHSA-N 1 0 358.436 3.556 50 0 FHAARO c1ncc(C[N@@H+]2CCCC23CCN(c2nc4ccccc4s2)CC3)[nH]1 ZINC000072422015 571193262 /nfs/dbraw/zinc/19/32/62/571193262.db2.gz LFIUHXLWSPAKBX-UHFFFAOYSA-N 1 0 353.495 3.654 50 0 FHAARO CC(=O)Nc1ccc(C)c(NC(=O)NC[C@H](c2sccc2C)[NH+](C)C)c1 ZINC000299760868 571193470 /nfs/dbraw/zinc/19/34/70/571193470.db2.gz PTSAJXQRLYTPAD-QGZVFWFLSA-N 1 0 374.510 3.748 50 0 FHAARO CCn1cc(-c2cccc(C(=O)NCc3ccccc3C[NH+](C)C)c2)cn1 ZINC000299762443 571193736 /nfs/dbraw/zinc/19/37/36/571193736.db2.gz WPJIHLGECCCAKU-UHFFFAOYSA-N 1 0 362.477 3.562 50 0 FHAARO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccccc1OCCCc1ccccc1 ZINC000299764004 571194018 /nfs/dbraw/zinc/19/40/18/571194018.db2.gz IUWRHGSZBNPMEZ-GOSISDBHSA-N 1 0 353.466 3.572 50 0 FHAARO CCc1oc(C(=O)N[C@H](C)Cc2cccc(C)n2)cc1C[NH+]1CCCC1 ZINC000299767513 571195109 /nfs/dbraw/zinc/19/51/09/571195109.db2.gz HGEQARWQYMDWDV-MRXNPFEDSA-N 1 0 355.482 3.502 50 0 FHAARO C[C@@H](c1ccc(C(=O)NCc2nc3cc(F)ccc3[nH]2)o1)[NH+]1CCCCC1 ZINC000299772652 571196177 /nfs/dbraw/zinc/19/61/77/571196177.db2.gz AVICPKOHOUVWGB-ZDUSSCGKSA-N 1 0 370.428 3.772 50 0 FHAARO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3ccc(F)cc3)cc2)CC1 ZINC000072437610 571196530 /nfs/dbraw/zinc/19/65/30/571196530.db2.gz IUKVUSMTVVLQEV-UHFFFAOYSA-N 1 0 356.441 3.870 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)c3ccccc3n2)cc1 ZINC000072448044 571197308 /nfs/dbraw/zinc/19/73/08/571197308.db2.gz ISHAWQJKTWITCL-IRXDYDNUSA-N 1 0 363.436 3.640 50 0 FHAARO C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000299779635 571197530 /nfs/dbraw/zinc/19/75/30/571197530.db2.gz NTRKNWCXUJUHEE-HXUWFJFHSA-N 1 0 368.908 3.935 50 0 FHAARO Cc1c[nH+]ccc1NCCNC(=O)Nc1cccc(N2CCCC2)c1C ZINC000299779409 571197755 /nfs/dbraw/zinc/19/77/55/571197755.db2.gz RSCXLPZVYCOYKU-UHFFFAOYSA-N 1 0 353.470 3.532 50 0 FHAARO Cc1ncc2c(c1CNC(=O)c1ccccc1-c1ccccc1)CC[NH2+]C2 ZINC000072477994 571199595 /nfs/dbraw/zinc/19/95/95/571199595.db2.gz DWEQHPMPSUEPQU-UHFFFAOYSA-N 1 0 357.457 3.633 50 0 FHAARO O=C(NCC1([NH+]2CCCC2)CCCC1)Nc1ccc(OC(F)F)cc1 ZINC000299793566 571201645 /nfs/dbraw/zinc/20/16/45/571201645.db2.gz IAKPNDJENVTMLW-UHFFFAOYSA-N 1 0 353.413 3.818 50 0 FHAARO O=C1C[C@H](C[N@H+]2CC=C(c3ccc(F)cc3)CC2)CN1c1ccccc1 ZINC000299795330 571201747 /nfs/dbraw/zinc/20/17/47/571201747.db2.gz KEQXUOAKYSYYCX-QGZVFWFLSA-N 1 0 350.437 3.968 50 0 FHAARO Cc1[nH]c2ccc(F)cc2c1CC(=O)NCCC[NH+]1Cc2ccccc2C1 ZINC000074455992 571201768 /nfs/dbraw/zinc/20/17/68/571201768.db2.gz ZUELUAKAIGQMDF-UHFFFAOYSA-N 1 0 365.452 3.680 50 0 FHAARO CC[n+]1ccc2cc(OC)c(OC)cc2c1Cc1ccc(OC)c(OC)c1 ZINC000000844016 571203438 /nfs/dbraw/zinc/20/34/38/571203438.db2.gz ITYPYDFMAUKACB-UHFFFAOYSA-N 1 0 368.453 3.772 50 0 biogenic FHAARO CO[C@]12CC[N@H+](CCCc3ccccc3)[C@H]1C[C@H](NC(=O)C1CCC1)CC2 ZINC000534586387 571205466 /nfs/dbraw/zinc/20/54/66/571205466.db2.gz CSRZCBMWOOCHSL-FUPPJEDESA-N 1 0 370.537 3.548 50 0 FHAARO Oc1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccccn3)no2)c1 ZINC000076961888 571205802 /nfs/dbraw/zinc/20/58/02/571205802.db2.gz DQGHERYSIPJBQK-KRWDZBQOSA-N 1 0 364.449 3.825 50 0 FHAARO CCCCN1C[C@]2(CCC[N@H+](Cc3ccc(C(C)=O)cc3)C2)CCC1=O ZINC000077287630 571206237 /nfs/dbraw/zinc/20/62/37/571206237.db2.gz RVZGAPLOYKTHOI-JOCHJYFZSA-N 1 0 356.510 3.894 50 0 FHAARO Cc1c2cc(CNC(=O)[C@@H]3CC[NH2+]C3)ccc2[nH]c1-c1ccccc1F ZINC000077299364 571206758 /nfs/dbraw/zinc/20/67/58/571206758.db2.gz SIMIDHFXMKORBF-OAHLLOKOSA-N 1 0 351.425 3.508 50 0 FHAARO COCCCN1C[C@]2(CCC[N@H+](Cc3cc4ccccc4o3)C2)CCC1=O ZINC000077340673 571208125 /nfs/dbraw/zinc/20/81/25/571208125.db2.gz FMLIAKUAEMMUTF-JOCHJYFZSA-N 1 0 370.493 3.674 50 0 FHAARO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1Cc1ccc2cc(F)ccc2n1 ZINC000077375368 571209250 /nfs/dbraw/zinc/20/92/50/571209250.db2.gz SJYAGFNOVMPQIZ-IBGZPJMESA-N 1 0 355.457 3.741 50 0 FHAARO CCCCN1C[C@@]2(CCC[N@H+](Cc3c(C)nc4ccccn43)C2)CCC1=O ZINC000077390315 571209901 /nfs/dbraw/zinc/20/99/01/571209901.db2.gz IZULFWLEKDSEOF-QFIPXVFZSA-N 1 0 368.525 3.647 50 0 FHAARO Cn1nc(C[N@@H+]2CCCC[C@H]2CCn2ccnc2)c2c1cccc2Cl ZINC000077406327 571210152 /nfs/dbraw/zinc/21/01/52/571210152.db2.gz MEICEFSCZSYQCA-HNNXBMFYSA-N 1 0 357.889 3.868 50 0 FHAARO CCCCN1C[C@@]2(CCC[N@H+](Cc3cnn(CCC)c3C)C2)CCC1=O ZINC000077406683 571210192 /nfs/dbraw/zinc/21/01/92/571210192.db2.gz KHDQJYBGDMBEMS-NRFANRHFSA-N 1 0 360.546 3.606 50 0 FHAARO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)CN1C1CC1 ZINC000077421453 571210881 /nfs/dbraw/zinc/21/08/81/571210881.db2.gz OAQFTTKRLLPYDY-FQEVSTJZSA-N 1 0 364.436 3.655 50 0 FHAARO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000064590908 571211633 /nfs/dbraw/zinc/21/16/33/571211633.db2.gz MKQYIFSJWKKXTA-UHFFFAOYSA-N 1 0 371.868 3.769 50 0 FHAARO Cc1ccc([C@@H]2CN(Cc3nnc(-c4ccccc4)o3)C[C@H]2[NH+](C)C)cc1 ZINC000077535955 571214763 /nfs/dbraw/zinc/21/47/63/571214763.db2.gz ZZBBUGCMMMZLRC-VQTJNVASSA-N 1 0 362.477 3.575 50 0 FHAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)CN1C1CC1 ZINC000077556396 571215271 /nfs/dbraw/zinc/21/52/71/571215271.db2.gz NYKIHVIRNZEORP-FQEVSTJZSA-N 1 0 370.522 3.505 50 0 FHAARO Nc1cc[nH+]c(-c2ccc(C(=O)NCCCOC3CCCCC3)cc2)c1 ZINC000426368195 571215667 /nfs/dbraw/zinc/21/56/67/571215667.db2.gz DNEUARWQYUJHSG-UHFFFAOYSA-N 1 0 353.466 3.800 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1)c1cccs1 ZINC000023105570 571215718 /nfs/dbraw/zinc/21/57/18/571215718.db2.gz SHNVTXXZLWZNPB-CYBMUJFWSA-N 1 0 353.285 3.543 50 0 FHAARO Cc1ccc2c(c1)[C@H](NC(=O)c1cc(F)ccc1OCC[NH3+])CC(C)(C)O2 ZINC000426377874 571217036 /nfs/dbraw/zinc/21/70/36/571217036.db2.gz CZEOKONFSNXPNM-QGZVFWFLSA-N 1 0 372.440 3.504 50 0 FHAARO C[C@@H](c1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1)[NH+]1CCCCC1 ZINC000426398240 571219767 /nfs/dbraw/zinc/21/97/67/571219767.db2.gz XFCQCBMVXSUXGC-INIZCTEOSA-N 1 0 352.482 3.996 50 0 FHAARO O=C(c1ccc(-c2ccc(O)c(Cl)c2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000426465532 571226609 /nfs/dbraw/zinc/22/66/09/571226609.db2.gz XWRCORLELVPYMZ-UHFFFAOYSA-N 1 0 370.880 3.880 50 0 FHAARO O=C1CC[C@@]2(CCC[N@H+](Cc3cccnc3)C2)CN1CCc1ccccc1 ZINC000082098144 571228102 /nfs/dbraw/zinc/22/81/02/571228102.db2.gz OHWNBRHEGIXNIS-HSZRJFAPSA-N 1 0 363.505 3.529 50 0 FHAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1nc(C2CC2)no1 ZINC000426494015 571228205 /nfs/dbraw/zinc/22/82/05/571228205.db2.gz KEFIECXWVCSTFL-OAHLLOKOSA-N 1 0 368.481 3.814 50 0 FHAARO COc1ccccc1-c1ccc(C(=O)N2CCCC[C@H]([NH+](C)C)C2)cc1 ZINC000082108372 571228324 /nfs/dbraw/zinc/22/83/24/571228324.db2.gz TYFZFGJZOMNJRJ-IBGZPJMESA-N 1 0 352.478 3.919 50 0 FHAARO C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)NCC(C)(C)[NH+]1CCCC1 ZINC000426580960 571232169 /nfs/dbraw/zinc/23/21/69/571232169.db2.gz KLGFQZJZVKYDKA-MRXNPFEDSA-N 1 0 369.513 3.654 50 0 FHAARO COc1ccccc1-c1cccc(NC(=O)N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)c1 ZINC000426582830 571232501 /nfs/dbraw/zinc/23/25/01/571232501.db2.gz NYVBEYGYMSABJF-OWZKRDHZSA-N 1 0 365.477 3.634 50 0 FHAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-c3cc(Cl)ccc3O)cc2)C1 ZINC000426658192 571234463 /nfs/dbraw/zinc/23/44/63/571234463.db2.gz IEYGKSWNSUHJBU-QGZVFWFLSA-N 1 0 358.869 3.879 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(F)c(OC)c(F)c2)cc1 ZINC000426711958 571236262 /nfs/dbraw/zinc/23/62/62/571236262.db2.gz BOTFEWQYOVTJMR-KRWDZBQOSA-N 1 0 374.431 3.855 50 0 FHAARO C[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(-c2cnc3ccccc3n2)c1 ZINC000426712625 571236297 /nfs/dbraw/zinc/23/62/97/571236297.db2.gz KVEMUQNSDUVFIL-MRXNPFEDSA-N 1 0 360.461 3.511 50 0 FHAARO CC(C)c1nnc(CN2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)o1 ZINC000091254521 571238641 /nfs/dbraw/zinc/23/86/41/571238641.db2.gz WGQBMMZDKBNKAR-IBGZPJMESA-N 1 0 368.525 3.895 50 0 FHAARO CCc1ncc(C[N@@H+]2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)cn1 ZINC000091486837 571240107 /nfs/dbraw/zinc/24/01/07/571240107.db2.gz PGCJPUSQUDKFMG-NRFANRHFSA-N 1 0 353.466 3.613 50 0 FHAARO C[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3ccco3)nc3c(Cl)cccc23)C1 ZINC000091536460 571240616 /nfs/dbraw/zinc/24/06/16/571240616.db2.gz OZMXOZDKVMYFCN-ZDUSSCGKSA-N 1 0 369.852 3.972 50 0 FHAARO CNc1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)cs1 ZINC000091643671 571241630 /nfs/dbraw/zinc/24/16/30/571241630.db2.gz IPKHVDZTOSRSHL-GOSISDBHSA-N 1 0 370.566 3.886 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccccc2C)C3)cc1 ZINC000091713848 571242804 /nfs/dbraw/zinc/24/28/04/571242804.db2.gz HNZBOTLAJZHIPM-VQTJNVASSA-N 1 0 364.489 3.740 50 0 FHAARO FC(F)(F)CN1CCC[N@H+](CCOc2cccc3ccccc32)CC1 ZINC000065040920 571251151 /nfs/dbraw/zinc/25/11/51/571251151.db2.gz NERHKJQJYVYNRT-UHFFFAOYSA-N 1 0 352.400 3.789 50 0 FHAARO O=C(Cc1cccn1-c1ccc(F)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000065170768 571255623 /nfs/dbraw/zinc/25/56/23/571255623.db2.gz KUUOWSFDRDAHLT-UHFFFAOYSA-N 1 0 369.484 3.636 50 0 FHAARO Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000006992727 571256515 /nfs/dbraw/zinc/25/65/15/571256515.db2.gz RPVMSMGFPBJHNC-UHFFFAOYSA-N 1 0 352.478 3.644 50 0 FHAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1cc2cc(C)ccc2[nH]c1=O ZINC000065245485 571257584 /nfs/dbraw/zinc/25/75/84/571257584.db2.gz YUHJNFUSXXIYML-LJQANCHMSA-N 1 0 369.509 3.562 50 0 FHAARO Cc1ccc(NC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)c(F)c1 ZINC000065255128 571257693 /nfs/dbraw/zinc/25/76/93/571257693.db2.gz IGXKNVPHTKZRND-UHFFFAOYSA-N 1 0 366.440 3.832 50 0 FHAARO FC(F)(F)c1cc(-c2cccs2)nc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000036613510 571257893 /nfs/dbraw/zinc/25/78/93/571257893.db2.gz YGXIDYZRKRJFMP-LLVKDONJSA-N 1 0 354.401 3.508 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1[nH]nc2ccc(Cl)cc21 ZINC000170617883 571268465 /nfs/dbraw/zinc/26/84/65/571268465.db2.gz UBGLNYKQKHCQRT-UHFFFAOYSA-N 1 0 368.868 3.742 50 0 FHAARO CN(C(=O)c1csc(-c2ccc(Cl)s2)n1)C1CCC([NH3+])CC1 ZINC000237018274 571277220 /nfs/dbraw/zinc/27/72/20/571277220.db2.gz VSWVCMBVVCDVGZ-UHFFFAOYSA-N 1 0 355.916 3.867 50 0 FHAARO COCc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000252509788 571281440 /nfs/dbraw/zinc/28/14/40/571281440.db2.gz YVRPAHROVHRGSU-UHFFFAOYSA-N 1 0 371.456 3.758 50 0 FHAARO Cn1c(C[N@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)nc2cc(C(F)(F)F)ccc21 ZINC000252516502 571282035 /nfs/dbraw/zinc/28/20/35/571282035.db2.gz SWDJSCRRPAZNNT-CSMYWGQOSA-N 1 0 367.415 3.837 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@H](C)[NH+]3C[C@@H](C)C[C@H](C)C3)no2)cc1 ZINC000252518106 571282138 /nfs/dbraw/zinc/28/21/38/571282138.db2.gz AAHHKUZURBSFGS-ULQDDVLXSA-N 1 0 355.482 3.746 50 0 FHAARO C[n+]1cccc([C@H]2CCCCN2C(=O)c2ccccc2Br)c1 ZINC000002236386 571293267 /nfs/dbraw/zinc/29/32/67/571293267.db2.gz ZMEOGPZLSGGXII-QGZVFWFLSA-N 1 0 360.275 3.641 50 0 FHAARO COc1cccc([C@H](CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)[NH+](C)C)c1 ZINC000054920953 571294775 /nfs/dbraw/zinc/29/47/75/571294775.db2.gz DTFYVCJYJONCRC-QRWLVFNGSA-N 1 0 373.472 3.840 50 0 FHAARO O=C(CC[NH2+]C1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000019927595 571308313 /nfs/dbraw/zinc/30/83/13/571308313.db2.gz LUWIPBIRXMABAW-UHFFFAOYSA-N 1 0 354.498 3.581 50 0 FHAARO CCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2c(F)cccc2Cl)C2CC2)C1 ZINC000584897172 571315578 /nfs/dbraw/zinc/31/55/78/571315578.db2.gz UWUVDYTVZWKHKE-CYBMUJFWSA-N 1 0 353.869 3.637 50 0 FHAARO COc1ccc([C@H](C)NC(=O)N2CC[NH+](CC3CCCC3)CC2)cc1C ZINC000584898706 571315941 /nfs/dbraw/zinc/31/59/41/571315941.db2.gz ISNIHEKTYUYQDZ-KRWDZBQOSA-N 1 0 359.514 3.582 50 0 FHAARO COc1ccc(C(F)(F)F)cc1-c1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000584900835 571316172 /nfs/dbraw/zinc/31/61/72/571316172.db2.gz URDVKXAUXNBBLD-HNNXBMFYSA-N 1 0 364.367 3.554 50 0 FHAARO Fc1c(C[NH+]2CCC(c3nnc4ccccn43)CC2)cccc1OC1CC1 ZINC000585101687 571320553 /nfs/dbraw/zinc/32/05/53/571320553.db2.gz WINVMIGYTCPEJY-UHFFFAOYSA-N 1 0 366.440 3.789 50 0 FHAARO COc1cc(C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)cc(OC)c1OC ZINC000093529966 571326819 /nfs/dbraw/zinc/32/68/19/571326819.db2.gz QJFTWBDUANZXQF-LJQANCHMSA-N 1 0 373.493 3.732 50 0 FHAARO CC(C)C[C@](O)(c1ccc(O)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170064 571333471 /nfs/dbraw/zinc/33/34/71/571333471.db2.gz GJNXCEOWCHRBST-GOTSBHOMSA-N 1 0 369.505 3.742 50 0 FHAARO CC[NH2+]CCCC[C@@]1(c2ccccc2)c2ccccc2N(N(C)C)C1=O ZINC000096027498 571334156 /nfs/dbraw/zinc/33/41/56/571334156.db2.gz XNFIIYPHZVHKAY-JOCHJYFZSA-N 1 0 351.494 3.576 50 0 FHAARO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000028240676 571338758 /nfs/dbraw/zinc/33/87/58/571338758.db2.gz CQCLZDAMYACAEG-NRFANRHFSA-N 1 0 360.461 3.784 50 0 FHAARO CCn1c2c(c(S[C@@H]([NH3+])c3cccc4ccccc43)nc1=O)CCC2 ZINC000028290098 571338960 /nfs/dbraw/zinc/33/89/60/571338960.db2.gz SJOMZVVZLPHMBX-GOSISDBHSA-N 1 0 351.475 3.655 50 0 FHAARO C[C@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)N1CCCC1 ZINC000056153314 571339527 /nfs/dbraw/zinc/33/95/27/571339527.db2.gz MJZSZDOPEMSOLN-IRXDYDNUSA-N 1 0 365.477 3.600 50 0 FHAARO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@H](C)O1 ZINC000028842727 571341170 /nfs/dbraw/zinc/34/11/70/571341170.db2.gz UWAQHWLRNFRIIM-CALCHBBNSA-N 1 0 354.450 3.917 50 0 FHAARO C[C@@H](c1ccco1)N(CC[NH+](C)C)C(=S)Nc1cc(F)cc(F)c1 ZINC000003047146 571344066 /nfs/dbraw/zinc/34/40/66/571344066.db2.gz TZOLSMURIRWNFV-LBPRGKRZSA-N 1 0 353.438 3.879 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc(COC)c1)Cc1ccccc1 ZINC000029918219 571344150 /nfs/dbraw/zinc/34/41/50/571344150.db2.gz XXCKLTWSHZOTNG-NRFANRHFSA-N 1 0 354.494 3.516 50 0 FHAARO CCc1ccccc1NC(=S)N1CCC([N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000003058315 571344349 /nfs/dbraw/zinc/34/43/49/571344349.db2.gz IEHPNLKEYRRHGJ-SFHVURJKSA-N 1 0 361.555 3.521 50 0 FHAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000230207609 571344640 /nfs/dbraw/zinc/34/46/40/571344640.db2.gz NRDGTPOHGOVPBK-QAPCUYQASA-N 1 0 372.900 3.724 50 0 FHAARO CC(C)[C@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1ccc(Cl)cc1 ZINC000057585389 571344672 /nfs/dbraw/zinc/34/46/72/571344672.db2.gz LUNAQXMSLVXTEM-IBGZPJMESA-N 1 0 373.884 3.653 50 0 FHAARO CCc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C(C)C)cc1 ZINC000057838672 571345545 /nfs/dbraw/zinc/34/55/45/571345545.db2.gz RSKSEBOYFLXSNO-HNAYVOBHSA-N 1 0 356.514 3.913 50 0 FHAARO Cc1ccccc1OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000058085785 571347866 /nfs/dbraw/zinc/34/78/66/571347866.db2.gz URSUGVHDSGDPFQ-UHFFFAOYSA-N 1 0 370.518 3.870 50 0 FHAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3nc(C(C)(C)C)no3)c(C)c2)CC1 ZINC000058173336 571349059 /nfs/dbraw/zinc/34/90/59/571349059.db2.gz SYKLLNRXCSGWHT-INIZCTEOSA-N 1 0 371.529 3.991 50 0 FHAARO O=C(NCCC[NH+]1CCCCC1)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000670452024 571352603 /nfs/dbraw/zinc/35/26/03/571352603.db2.gz LVOCWGMIKCZREL-UHFFFAOYSA-N 1 0 354.498 3.718 50 0 FHAARO O=C(NC1CC[NH+](Cc2cccs2)CC1)c1cccc(-c2cn[nH]c2)c1 ZINC000670468615 571359430 /nfs/dbraw/zinc/35/94/30/571359430.db2.gz DESWVICHTWZJFD-UHFFFAOYSA-N 1 0 366.490 3.533 50 0 FHAARO COc1ccc2c(c1)CN(C(=O)c1coc(C[NH3+])c1)[C@H](c1ccccc1)C2 ZINC000187957113 932251563 /nfs/dbraw/zinc/25/15/63/932251563.db2.gz HTLAYMBITKQAOG-NRFANRHFSA-N 1 0 362.429 3.687 50 0 FHAARO CC(C)(CO)[C@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000291091772 934044712 /nfs/dbraw/zinc/04/47/12/934044712.db2.gz HVZDQEMPIKMJOG-GOSISDBHSA-N 1 0 372.475 3.795 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C(C)(C)O)cs2)c(OC)c1 ZINC000119046225 938581021 /nfs/dbraw/zinc/58/10/21/938581021.db2.gz WGEJQYCRMHKBGF-KRWDZBQOSA-N 1 0 362.495 3.563 50 0 FHAARO c1ccc(CCOC2CC[NH+](Cc3cccc4c3OCCO4)CC2)cc1 ZINC000194983250 940402844 /nfs/dbraw/zinc/40/28/44/940402844.db2.gz HISRBQFQBPPAEE-UHFFFAOYSA-N 1 0 353.462 3.682 50 0 FHAARO COc1cccc(CC(=O)N2CCC[C@@H](Cn3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000581806962 940613641 /nfs/dbraw/zinc/61/36/41/940613641.db2.gz FUHNECVUSQOBAM-GOSISDBHSA-N 1 0 367.493 3.559 50 0 FHAARO Cc1ccc(C(=O)N2CC[C@@H](n3c(C)c[nH+]c3C3CCOCC3)C2)s1 ZINC000581808418 940617213 /nfs/dbraw/zinc/61/72/13/940617213.db2.gz UGUKYQHEMGAIFG-MRXNPFEDSA-N 1 0 359.495 3.543 50 0 FHAARO OCC1CC[NH+]([C@H]2CCCN(Cc3ccccc3OC3CCCC3)C2)CC1 ZINC000019740092 941848723 /nfs/dbraw/zinc/84/87/23/941848723.db2.gz UTALIALXKKIXOZ-NRFANRHFSA-N 1 0 372.553 3.677 50 0 FHAARO COCCn1cc(C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)cn1 ZINC000284068415 941888169 /nfs/dbraw/zinc/88/81/69/941888169.db2.gz ARUUVCIRJNICJU-CQSZACIVSA-N 1 0 351.878 3.821 50 0 FHAARO COCCn1cc(C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)cn1 ZINC000284068412 941888178 /nfs/dbraw/zinc/88/81/78/941888178.db2.gz ARUUVCIRJNICJU-AWEZNQCLSA-N 1 0 351.878 3.821 50 0 FHAARO COc1cccc(C[N@H+](C)Cc2ccccc2-c2nc(C)c(C)c(=O)[nH]2)c1 ZINC000023367662 942192279 /nfs/dbraw/zinc/19/22/79/942192279.db2.gz NBNOJIALLLANQZ-UHFFFAOYSA-N 1 0 363.461 3.694 50 0 FHAARO CC(C)c1nnc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)s1 ZINC000136415678 942280810 /nfs/dbraw/zinc/28/08/10/942280810.db2.gz PIMGVMRPGJTVLW-HNNXBMFYSA-N 1 0 364.902 3.994 50 0 FHAARO COCCO[C@@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)C12CCCCC2 ZINC000257177214 942490799 /nfs/dbraw/zinc/49/07/99/942490799.db2.gz DMLBDJXONDLHFF-JOCHJYFZSA-N 1 0 372.553 3.701 50 0 FHAARO CCN1CCCCc2cc(C(=O)NCCC3CC[NH+](CC)CC3)sc21 ZINC000257187262 942595505 /nfs/dbraw/zinc/59/55/05/942595505.db2.gz LOETZBPFQOQLGE-UHFFFAOYSA-N 1 0 363.571 3.763 50 0 FHAARO CC1(C)CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CC[C@@H]1[NH3+] ZINC000261840739 942631184 /nfs/dbraw/zinc/63/11/84/942631184.db2.gz LPUFWLIDUCJXGM-HNNXBMFYSA-N 1 0 354.416 3.713 50 0 FHAARO CCN1CCCCc2cc(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)sc21 ZINC000257189504 942643788 /nfs/dbraw/zinc/64/37/88/942643788.db2.gz NUPICUKYWCBDBG-INIZCTEOSA-N 1 0 363.571 3.618 50 0 FHAARO Cc1c(C[N@@H+]2CC3(C[C@@H]2COc2ccncc2)CCCCC3)cnn1C ZINC000257191925 942654438 /nfs/dbraw/zinc/65/44/38/942654438.db2.gz RTOLAVFGBWABSO-LJQANCHMSA-N 1 0 354.498 3.727 50 0 FHAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccnn1C1CCCC1 ZINC000330035613 944329433 /nfs/dbraw/zinc/32/94/33/944329433.db2.gz BVSKAKVHDZJEAA-MRXNPFEDSA-N 1 0 372.538 3.702 50 0 FHAARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1cccc(Oc3ccccc3)c1)C2 ZINC000220113414 222713738 /nfs/dbraw/zinc/71/37/38/222713738.db2.gz OBQZGZGYKKPDDW-WGMWDUQUSA-N 1 0 350.462 3.891 50 0 FHAARO CCCC[NH+](CCCC)CCCNCc1nn(C)nc1-c1ccccc1 ZINC000261491807 210005940 /nfs/dbraw/zinc/00/59/40/210005940.db2.gz KPYXHPKVGUBOCF-UHFFFAOYSA-N 1 0 357.546 3.864 50 0 FHAARO O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000244685578 209902703 /nfs/dbraw/zinc/90/27/03/209902703.db2.gz ISPHQMASVLXKSP-WSTZPKSXSA-N 1 0 370.518 3.586 50 0 FHAARO CCO[C@@H]1C[C@](O)(C[NH2+][C@H](C)c2ccc(Br)cc2)C1(C)C ZINC000225594581 209822808 /nfs/dbraw/zinc/82/28/08/209822808.db2.gz WYQRZWGOWFLJIE-VMGRFDJRSA-N 1 0 356.304 3.666 50 0 FHAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccccc1Cl ZINC000225576870 209821190 /nfs/dbraw/zinc/82/11/90/209821190.db2.gz DSXNVSQEPCVCID-CQSZACIVSA-N 1 0 353.919 3.679 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1 ZINC000012935300 209575477 /nfs/dbraw/zinc/57/54/77/209575477.db2.gz TYJSSJDKCWJTLG-UHFFFAOYSA-N 1 0 364.287 3.549 50 0 FHAARO COC(=O)c1c2c(sc1NC(=O)c1ccccc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000004275270 209417673 /nfs/dbraw/zinc/41/76/73/209417673.db2.gz UVNLTBIWNVUFDD-UHFFFAOYSA-N 1 0 372.490 3.946 50 0 FHAARO CCCOc1ccc(OCCOCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002191185 209395625 /nfs/dbraw/zinc/39/56/25/209395625.db2.gz ABEGEZWDEVDBPF-UHFFFAOYSA-N 1 0 355.478 3.929 50 0 FHAARO COc1ccc(CC[NH2+]CCC(=O)Nc2c(C)cc(C)cc2C)cc1OC ZINC000002024742 209393657 /nfs/dbraw/zinc/39/36/57/209393657.db2.gz WUVYFZFERKREQO-UHFFFAOYSA-N 1 0 370.493 3.790 50 0 FHAARO Cn1c(C[N@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)nc2cc(C(F)(F)F)ccc21 ZINC000130066243 209371089 /nfs/dbraw/zinc/37/10/89/209371089.db2.gz SWDJSCRRPAZNNT-VUCTXSBTSA-N 1 0 367.415 3.837 50 0 FHAARO CCOc1cc(C[NH2+]CCCOc2ccccn2)cc(Cl)c1OC ZINC000113396890 209336456 /nfs/dbraw/zinc/33/64/56/209336456.db2.gz DGQJEWGZFHWOHV-UHFFFAOYSA-N 1 0 350.846 3.701 50 0 FHAARO COc1ccc(Br)cc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000113399374 209335971 /nfs/dbraw/zinc/33/59/71/209335971.db2.gz XWAVMXOSCQQBPM-UHFFFAOYSA-N 1 0 360.255 3.666 50 0 FHAARO CC(C)Oc1ccc(C[NH2+]CCOc2ccccn2)cc1Br ZINC000113395248 209335648 /nfs/dbraw/zinc/33/56/48/209335648.db2.gz FLAQHSILQPQRCO-UHFFFAOYSA-N 1 0 365.271 3.800 50 0 FHAARO Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000043268609 209276188 /nfs/dbraw/zinc/27/61/88/209276188.db2.gz WDJAFFGSAZGBCZ-UHFFFAOYSA-N 1 0 368.525 3.840 50 0 FHAARO COc1cc(C)c(-c2nc(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c(C)o2)cc1C ZINC000102297548 209234494 /nfs/dbraw/zinc/23/44/94/209234494.db2.gz KIPAEZIRKFMMQY-FVQHAEBGSA-N 1 0 356.466 3.763 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)/C=C\c2ccnc(Cl)c2)[NH+]2CCCC2)o1 ZINC000098059530 209203444 /nfs/dbraw/zinc/20/34/44/209203444.db2.gz QXCHQJIEYPLQPS-GMNBZTITSA-N 1 0 359.857 3.603 50 0 FHAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1ccccc1-c1ncc[nH]1 ZINC000097797346 209196049 /nfs/dbraw/zinc/19/60/49/209196049.db2.gz WAVZHYARYMDUOR-LJQANCHMSA-N 1 0 374.488 3.686 50 0 FHAARO O[C@@H](CC[N@@H+]1CCc2nc(-c3cccc(F)c3)[nH]c2C1)c1ccccc1 ZINC000097696273 209193629 /nfs/dbraw/zinc/19/36/29/209193629.db2.gz JJBZSZZEOHGYCA-FQEVSTJZSA-N 1 0 351.425 3.698 50 0 FHAARO c1[nH]nc(-c2ccccc2)c1CN1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000097653932 209190782 /nfs/dbraw/zinc/19/07/82/209190782.db2.gz YFQRFOGCBAYQDS-QHCPKHFHSA-N 1 0 372.516 3.752 50 0 FHAARO Cc1ccc2cc(C(=O)NCC[N@@H+]3CC[C@H](c4ccccc4)C3)n(C)c2c1 ZINC000097570787 209186374 /nfs/dbraw/zinc/18/63/74/209186374.db2.gz MJDWIEZECNKMKN-FQEVSTJZSA-N 1 0 361.489 3.706 50 0 FHAARO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(-c3ccc(O)cc3)c1)C2 ZINC000097553194 209185838 /nfs/dbraw/zinc/18/58/38/209185838.db2.gz PGGZAZBGUWYDLI-JOCHJYFZSA-N 1 0 350.462 3.617 50 0 FHAARO O=C(N[C@H](c1ccccn1)C(F)(F)F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097528970 209184722 /nfs/dbraw/zinc/18/47/22/209184722.db2.gz GJTJLKXVFHZAMQ-QGZVFWFLSA-N 1 0 363.383 3.711 50 0 FHAARO O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097528969 209183705 /nfs/dbraw/zinc/18/37/05/209183705.db2.gz GJTJLKXVFHZAMQ-KRWDZBQOSA-N 1 0 363.383 3.711 50 0 FHAARO CN(Cc1ccc2nsnc2c1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097402534 209179471 /nfs/dbraw/zinc/17/94/71/209179471.db2.gz YUHWOOAGPNZIQQ-UHFFFAOYSA-N 1 0 366.490 3.559 50 0 FHAARO CC(C)Oc1ccc(Cl)cc1-c1ccc(CN2CC[NH+](C)CC2)cn1 ZINC000097323920 209178922 /nfs/dbraw/zinc/17/89/22/209178922.db2.gz PZSHTXDLZKOTGX-UHFFFAOYSA-N 1 0 359.901 3.937 50 0 FHAARO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000097032696 209168113 /nfs/dbraw/zinc/16/81/13/209168113.db2.gz YKHCHROYKLOODG-MSOLQXFVSA-N 1 0 352.482 3.772 50 0 FHAARO CCCn1nc(C)c(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1C ZINC000223224789 209167953 /nfs/dbraw/zinc/16/79/53/209167953.db2.gz CPSNUYRJIGOAPE-NRFANRHFSA-N 1 0 368.525 3.581 50 0 FHAARO CC(C)[N@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1ccccc1 ZINC000096970087 209165481 /nfs/dbraw/zinc/16/54/81/209165481.db2.gz CJSYMURBUXNCCI-UHFFFAOYSA-N 1 0 367.518 3.866 50 0 FHAARO Cc1noc(C)c1CCc1nc(-c2ccccc2)nn1C1CC[NH+](C)CC1 ZINC000096166490 209130283 /nfs/dbraw/zinc/13/02/83/209130283.db2.gz JZTHWJOHACPGOH-UHFFFAOYSA-N 1 0 365.481 3.602 50 0 FHAARO Fc1ccc(-n2nc(-c3ccco3)nc2[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000096148392 209123637 /nfs/dbraw/zinc/12/36/37/209123637.db2.gz YQGHKPIPBKYPSS-CYBMUJFWSA-N 1 0 356.376 3.663 50 0 FHAARO CCCNC(=O)c1ccccc1-c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000096153598 209126517 /nfs/dbraw/zinc/12/65/17/209126517.db2.gz KYQCCBUFTMPPEX-KRWDZBQOSA-N 1 0 352.478 3.887 50 0 FHAARO Cc1occc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000096136657 209119658 /nfs/dbraw/zinc/11/96/58/209119658.db2.gz BGABLVCPUVLGJC-IBGZPJMESA-N 1 0 352.478 3.930 50 0 FHAARO C[NH+]1CCC(Cc2nc(-c3ccon3)n(Cc3ccc(Cl)cc3)n2)CC1 ZINC000096133064 209117525 /nfs/dbraw/zinc/11/75/25/209117525.db2.gz VABYKROYMLGIRJ-UHFFFAOYSA-N 1 0 371.872 3.519 50 0 FHAARO Cc1ccc([C@H](CNC(=O)c2ccccc2Br)[NH+](C)C)cc1 ZINC000010328909 206885344 /nfs/dbraw/zinc/88/53/44/206885344.db2.gz PMLJANYOAVCJIQ-KRWDZBQOSA-N 1 0 361.283 3.790 50 0 FHAARO COCCC[NH2+]CCCOc1c(Cl)cc(C)cc1Br ZINC000003003844 206951991 /nfs/dbraw/zinc/95/19/91/206951991.db2.gz HHXMEZCZJKCNRH-UHFFFAOYSA-N 1 0 350.684 3.806 50 0 FHAARO COc1ccc(CNc2[nH+]cc(-c3ccc(F)cc3)n2C)c(OC)c1OC ZINC000004678507 207037346 /nfs/dbraw/zinc/03/73/46/207037346.db2.gz YVETWSIELCFUOG-UHFFFAOYSA-N 1 0 371.412 3.864 50 0 FHAARO COc1ccc(CNC(=O)C2CC[NH+](C[C@@H](C)c3ccccc3)CC2)cc1 ZINC000004725450 207041870 /nfs/dbraw/zinc/04/18/70/207041870.db2.gz HJKMHSVBFUCBLO-GOSISDBHSA-N 1 0 366.505 3.827 50 0 FHAARO COc1ccc([C@@H]2[C@H](C[NH+]3CCCCC3)C(=O)N2c2ccccc2)cc1 ZINC000005527081 207103999 /nfs/dbraw/zinc/10/39/99/207103999.db2.gz YOZCZMWRFAHLNU-LEWJYISDSA-N 1 0 350.462 3.885 50 0 FHAARO Cc1cc(=O)oc2cc(NC(=S)N[C@H](C)C[NH+]3CCC(C)CC3)ccc12 ZINC000005811753 207118111 /nfs/dbraw/zinc/11/81/11/207118111.db2.gz NSJUBOUGOSTATK-OAHLLOKOSA-N 1 0 373.522 3.508 50 0 FHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC)c2OC)N3)C1 ZINC000006594383 207148809 /nfs/dbraw/zinc/14/88/09/207148809.db2.gz VKXXJVCPAPHWCH-QGZVFWFLSA-N 1 0 373.478 3.572 50 0 FHAARO CC[C@@H](C)[NH2+]C[C@@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000006553077 207146465 /nfs/dbraw/zinc/14/64/65/207146465.db2.gz CIBXAFWEOIRJJM-VQIMIIECSA-N 1 0 373.493 3.559 50 0 FHAARO CCOC(=O)C1CC[NH+](CCCCOc2ccc(OC(C)C)cc2)CC1 ZINC000006702209 207156092 /nfs/dbraw/zinc/15/60/92/207156092.db2.gz PRUWABCUQHMXLM-UHFFFAOYSA-N 1 0 363.498 3.908 50 0 FHAARO C[NH+](C)CCSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1 ZINC000006882249 207175102 /nfs/dbraw/zinc/17/51/02/207175102.db2.gz GQCAQKDYTFIFTG-UHFFFAOYSA-N 1 0 351.903 3.819 50 0 FHAARO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1ccc(F)cc1Cl ZINC000006883146 207175427 /nfs/dbraw/zinc/17/54/27/207175427.db2.gz JGWIWBHDNJRIHR-UHFFFAOYSA-N 1 0 367.848 3.927 50 0 FHAARO Cc1cc(OC[C@H](O)C[NH2+]CCCOC(C)C)c(C(C)C)cc1Cl ZINC000007015586 207184030 /nfs/dbraw/zinc/18/40/30/207184030.db2.gz UWBAEOAKJWLPSV-MRXNPFEDSA-N 1 0 357.922 3.916 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1 ZINC000007828461 207209153 /nfs/dbraw/zinc/20/91/53/207209153.db2.gz XTGFAUNZUNWAEX-UHFFFAOYSA-N 1 0 360.885 3.877 50 0 FHAARO C[NH+]1CCC2(CC1)C[C@@H](NC(=S)Nc1ccccc1)c1ccccc1O2 ZINC000007982599 207213568 /nfs/dbraw/zinc/21/35/68/207213568.db2.gz MULGBFNWQUKCJI-GOSISDBHSA-N 1 0 367.518 3.961 50 0 FHAARO COc1ccc2c(CC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)coc2c1 ZINC000008342631 207229692 /nfs/dbraw/zinc/22/96/92/207229692.db2.gz BKAQJCWLGOBTBZ-SFHVURJKSA-N 1 0 368.433 3.530 50 0 FHAARO CCC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000008328165 207229915 /nfs/dbraw/zinc/22/99/15/207229915.db2.gz JCBYCIOFXHPMEI-APWZRJJASA-N 1 0 371.502 3.846 50 0 FHAARO O=C(NCCSc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062782 207256666 /nfs/dbraw/zinc/25/66/66/207256666.db2.gz HWNUTWHREPIDSB-UHFFFAOYSA-N 1 0 354.519 3.807 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000009211385 207261465 /nfs/dbraw/zinc/26/14/65/207261465.db2.gz ZQLCQDBTTMOTRM-CYBMUJFWSA-N 1 0 362.564 3.815 50 0 FHAARO CC(C)[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000009689679 207281544 /nfs/dbraw/zinc/28/15/44/207281544.db2.gz WRQNQQHVPDZXIK-NRFANRHFSA-N 1 0 365.477 3.504 50 0 FHAARO CC(C)C[NH+](CC(C)C)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000009722070 207284585 /nfs/dbraw/zinc/28/45/85/207284585.db2.gz JGOYUZJJUVMNRP-QFIPXVFZSA-N 1 0 371.525 3.514 50 0 FHAARO Cc1ccc2nc(C[NH2+][C@H](C)c3cccc(C(F)(F)F)c3)cc(=O)n2c1 ZINC000009690237 207280955 /nfs/dbraw/zinc/28/09/55/207280955.db2.gz CSPQXDHGMDZPOP-CYBMUJFWSA-N 1 0 361.367 3.873 50 0 FHAARO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2cc(=O)n3ccsc3n2)cc1 ZINC000009913999 207288996 /nfs/dbraw/zinc/28/89/96/207288996.db2.gz AWTKPJCACNPHSN-GOSISDBHSA-N 1 0 369.490 3.882 50 0 FHAARO OCCOCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000010435635 207300866 /nfs/dbraw/zinc/30/08/66/207300866.db2.gz GTUUQJMIBXXYBM-UHFFFAOYSA-N 1 0 369.436 3.656 50 0 FHAARO C[C@H](C[NH2+]CCCSc1nnnn1-c1ccccc1)c1ccccc1 ZINC000010475431 207301816 /nfs/dbraw/zinc/30/18/16/207301816.db2.gz GDWSMCIVDGJYLB-MRXNPFEDSA-N 1 0 353.495 3.538 50 0 FHAARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4[nH]ccc4c3)C2)c1 ZINC000011710406 207319494 /nfs/dbraw/zinc/31/94/94/207319494.db2.gz LGVCYPGVTXMZKL-LJQANCHMSA-N 1 0 363.461 3.571 50 0 FHAARO O=C(NC[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1)c1ccc(F)cc1 ZINC000011768620 207321537 /nfs/dbraw/zinc/32/15/37/207321537.db2.gz JIIPLGYXZHYSJV-INIZCTEOSA-N 1 0 365.452 3.949 50 0 FHAARO c1ccc(-c2cnnc(NCC[N@@H+]3CCC[C@@H](c4ccccc4)C3)n2)cc1 ZINC000011838530 207322884 /nfs/dbraw/zinc/32/28/84/207322884.db2.gz HDVJAGLYKLOLTM-HXUWFJFHSA-N 1 0 359.477 3.830 50 0 FHAARO C[N@@H+]1CCC[C@@]2(CCCN(Cc3nc(-c4cccc(Cl)c4)no3)C2)C1 ZINC000011662338 207315906 /nfs/dbraw/zinc/31/59/06/207315906.db2.gz ZCFUGBLODABJBG-LJQANCHMSA-N 1 0 360.889 3.698 50 0 FHAARO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)o1 ZINC000011661875 207316201 /nfs/dbraw/zinc/31/62/01/207316201.db2.gz DDFREIKKZHJSCH-UHFFFAOYSA-N 1 0 364.449 3.829 50 0 FHAARO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000011936999 207330573 /nfs/dbraw/zinc/33/05/73/207330573.db2.gz GXOZLIWSAHCFHH-QFIPXVFZSA-N 1 0 352.478 3.860 50 0 FHAARO Cc1occc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000011934649 207330764 /nfs/dbraw/zinc/33/07/64/207330764.db2.gz BJUPEIVJTUVQDA-QGZVFWFLSA-N 1 0 358.457 3.754 50 0 FHAARO O=C(CCC1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1)N1CCCC1 ZINC000012003532 207333629 /nfs/dbraw/zinc/33/36/29/207333629.db2.gz WUEFPYYCLXYRMQ-UHFFFAOYSA-N 1 0 350.890 3.660 50 0 FHAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cc3cccnc3)C2)cc1 ZINC000011820929 207324696 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CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000012316404 207358198 /nfs/dbraw/zinc/35/81/98/207358198.db2.gz YFFWHUPCDKHYMU-HNNXBMFYSA-N 1 0 363.408 3.663 50 0 FHAARO Cc1ccc(N[C@H]2CCC[N@H+](Cc3ccc(OCCO)cc3)C2)cc1C ZINC000012305899 207358541 /nfs/dbraw/zinc/35/85/41/207358541.db2.gz WUFMTWXCAYBSNO-NRFANRHFSA-N 1 0 354.494 3.751 50 0 FHAARO O=C(C[NH+]1CCCCCC1)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000012386074 207367495 /nfs/dbraw/zinc/36/74/95/207367495.db2.gz YJYSJWZQELTELZ-IBGZPJMESA-N 1 0 364.493 3.513 50 0 FHAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1c(F)ccc(F)c1F ZINC000012385300 207368406 /nfs/dbraw/zinc/36/84/06/207368406.db2.gz XBPYUWCGWDLBGY-OAHLLOKOSA-N 1 0 362.395 3.541 50 0 FHAARO COCC[N@H+](Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C)C(C)C ZINC000012386378 207368598 /nfs/dbraw/zinc/36/85/98/207368598.db2.gz QKOYIKLNTKIJSK-UHFFFAOYSA-N 1 0 362.470 3.832 50 0 FHAARO CCc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)o1 ZINC000012385210 207368675 /nfs/dbraw/zinc/36/86/75/207368675.db2.gz KWZBOKAMSVUFMW-UHFFFAOYSA-N 1 0 358.486 3.860 50 0 FHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1ccsc1 ZINC000012430562 207373659 /nfs/dbraw/zinc/37/36/59/207373659.db2.gz XYFPENDQIWFGRH-UHFFFAOYSA-N 1 0 360.498 3.914 50 0 FHAARO CCCCc1ncc(C[N@@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)[nH]1 ZINC000012434221 207375448 /nfs/dbraw/zinc/37/54/48/207375448.db2.gz TYZPMIFSLCJSDS-JOCHJYFZSA-N 1 0 355.526 3.960 50 0 FHAARO Cc1ncsc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012433211 207376810 /nfs/dbraw/zinc/37/68/10/207376810.db2.gz SSNNMJMYKKZCTO-GOSISDBHSA-N 1 0 371.550 3.787 50 0 FHAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(OC)c2OC)c(F)c1 ZINC000012446733 207377754 /nfs/dbraw/zinc/37/77/54/207377754.db2.gz HHZCCLBDQDZTJJ-UHFFFAOYSA-N 1 0 371.412 3.531 50 0 FHAARO CCn1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)cn1 ZINC000012454191 207379376 /nfs/dbraw/zinc/37/93/76/207379376.db2.gz MHQIKXPMCQGJPR-QFIPXVFZSA-N 1 0 372.557 3.802 50 0 FHAARO Cc1cc(NC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)no1 ZINC000012554419 207391309 /nfs/dbraw/zinc/39/13/09/207391309.db2.gz FYZHGWSNEMIHIP-UHFFFAOYSA-N 1 0 356.470 3.798 50 0 FHAARO Cc1cc2oc(=O)cc(C[NH+]3CCC(C(=O)N(C)C)CC3)c2cc1C(C)C ZINC000012569347 207396567 /nfs/dbraw/zinc/39/65/67/207396567.db2.gz DXVMMAZMCZOSIA-UHFFFAOYSA-N 1 0 370.493 3.525 50 0 FHAARO O=C(CCC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)NC[C@H]1CCCO1 ZINC000012579182 207396763 /nfs/dbraw/zinc/39/67/63/207396763.db2.gz OKOMKDHNDUTBCF-SGRIQBTBSA-N 1 0 374.500 3.626 50 0 FHAARO O=C(COc1ccccc1Cl)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000015831520 207567479 /nfs/dbraw/zinc/56/74/79/207567479.db2.gz FCBLKZNVVFFOGF-INIZCTEOSA-N 1 0 350.890 3.586 50 0 FHAARO Cc1ccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1C ZINC000015860041 207572307 /nfs/dbraw/zinc/57/23/07/207572307.db2.gz QTARATLWHMLJBN-LJQANCHMSA-N 1 0 356.466 3.619 50 0 FHAARO COc1ccccc1OC(C)(C)C(=O)N(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019146077 207644943 /nfs/dbraw/zinc/64/49/43/207644943.db2.gz 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FHAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000033018722 208067867 /nfs/dbraw/zinc/06/78/67/208067867.db2.gz XFDNKBXSKQEBHC-UHFFFAOYSA-N 1 0 367.445 3.759 50 0 FHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3ccc(OCC)cc3)c2)C1 ZINC000034670319 208105101 /nfs/dbraw/zinc/10/51/01/208105101.db2.gz XMDCZBHDGIFUAA-LJQANCHMSA-N 1 0 368.477 3.922 50 0 FHAARO CC(C)C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(F)cc3)cn2)CC1 ZINC000034681655 208106115 /nfs/dbraw/zinc/10/61/15/208106115.db2.gz FWVKILJNASIJBL-UHFFFAOYSA-N 1 0 370.472 3.641 50 0 FHAARO CC(=O)N(CC(C)C)C[C@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1ccccc1 ZINC000034740397 208109756 /nfs/dbraw/zinc/10/97/56/208109756.db2.gz QYVUAOZEEFLPGF-FYYLOGMGSA-N 1 0 367.537 3.745 50 0 FHAARO Cn1nc(C(=O)NCC[NH+]2CCCCC2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902117 208112961 /nfs/dbraw/zinc/11/29/61/208112961.db2.gz HBBLMIJRLNUMLH-UHFFFAOYSA-N 1 0 368.525 3.600 50 0 FHAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccco2)o1 ZINC000036031391 208141139 /nfs/dbraw/zinc/14/11/39/208141139.db2.gz BJEXIZMGXLEMKK-IBGZPJMESA-N 1 0 373.424 3.900 50 0 FHAARO COCCC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COc1ccccc1C ZINC000036094992 208143102 /nfs/dbraw/zinc/14/31/02/208143102.db2.gz NDWDYZBYYDCTGO-NRFANRHFSA-N 1 0 357.494 3.582 50 0 FHAARO COc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COCc2ccco2)cc1 ZINC000036095297 208143597 /nfs/dbraw/zinc/14/35/97/208143597.db2.gz RTDRAIRVIHLJJI-LJQANCHMSA-N 1 0 361.482 3.714 50 0 FHAARO COc1cccc(C[N@H+](CC(C)C)C[C@@H](O)Cc2ccccc2)c1OC ZINC000036097063 208144991 /nfs/dbraw/zinc/14/49/91/208144991.db2.gz BODACLBRTDVWOC-FQEVSTJZSA-N 1 0 357.494 3.765 50 0 FHAARO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2)C[C@H]2CCCO2)c(C)c1 ZINC000036100849 208145253 /nfs/dbraw/zinc/14/52/53/208145253.db2.gz GWXJGRLKRGYHHP-JTHBVZDNSA-N 1 0 369.505 3.724 50 0 FHAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2Cl)C(C)C)cc1 ZINC000036102012 208146575 /nfs/dbraw/zinc/14/65/75/208146575.db2.gz XYJIKRQIUOSLNN-KRWDZBQOSA-N 1 0 363.885 3.999 50 0 FHAARO Cc1ccccc1C[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1CCCO1 ZINC000036099994 208147546 /nfs/dbraw/zinc/14/75/46/208147546.db2.gz MCKFJXVKFHXMKJ-GOTSBHOMSA-N 1 0 369.505 3.554 50 0 FHAARO CC[N@H+](C[C@H](O)c1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146307 208150106 /nfs/dbraw/zinc/15/01/06/208150106.db2.gz JXAMYVRVCYAMKB-QUCCMNQESA-N 1 0 358.869 3.889 50 0 FHAARO CC(=O)CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000037201814 208177722 /nfs/dbraw/zinc/17/77/22/208177722.db2.gz QEPLIBYYEBCJRH-SJBKTWHCSA-N 1 0 359.510 3.603 50 0 FHAARO COc1cccc(N(C(C)=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000037560497 208182623 /nfs/dbraw/zinc/18/26/23/208182623.db2.gz VZEQCVJXWXDSBD-UHFFFAOYSA-N 1 0 356.441 3.852 50 0 FHAARO CCn1c(C)cc(O)c([C@@H](c2ccccc2OC)[NH+]2CCC(C)CC2)c1=O ZINC000038545820 208203038 /nfs/dbraw/zinc/20/30/38/208203038.db2.gz OZBFRGMMDIXHQT-OAQYLSRUSA-N 1 0 370.493 3.712 50 0 FHAARO Cc1c2cccc(C)c2[nH]c1CN1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039516028 208211761 /nfs/dbraw/zinc/21/17/61/208211761.db2.gz QSJKAJTZELLKGF-LJQANCHMSA-N 1 0 355.526 3.596 50 0 FHAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000039447338 208212144 /nfs/dbraw/zinc/21/21/44/208212144.db2.gz MFAIEJNNKYQMKS-IBGZPJMESA-N 1 0 360.461 3.927 50 0 FHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCc2ccccc2C1 ZINC000040069039 208220577 /nfs/dbraw/zinc/22/05/77/208220577.db2.gz BIEZQVYSQCFYAN-UHFFFAOYSA-N 1 0 351.494 3.796 50 0 FHAARO Cc1cc(N2CCCC2)ccc1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040103840 208228013 /nfs/dbraw/zinc/22/80/13/208228013.db2.gz IGSDVPCKFYYJER-UHFFFAOYSA-N 1 0 358.530 3.981 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC000040162230 208240117 /nfs/dbraw/zinc/24/01/17/208240117.db2.gz HNLJQNODBFXMSU-INMHGKMJSA-N 1 0 355.438 3.528 50 0 FHAARO COc1cccc(C[NH2+]CCO)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040722490 208263155 /nfs/dbraw/zinc/26/31/55/208263155.db2.gz XZEGTYPSWNYTHQ-UHFFFAOYSA-N 1 0 356.249 3.663 50 0 FHAARO C[NH2+]CCCNCc1cc(Cl)c(OCc2ccccc2C)c(OC)c1 ZINC000040720574 208263621 /nfs/dbraw/zinc/26/36/21/208263621.db2.gz FNTQQAZPOJEHRX-UHFFFAOYSA-N 1 0 362.901 3.935 50 0 FHAARO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccccc1C ZINC000040720575 208263642 /nfs/dbraw/zinc/26/36/42/208263642.db2.gz DBCHIIPPKUXOIK-UHFFFAOYSA-N 1 0 362.901 3.887 50 0 FHAARO Cc1ccccc1COc1ccccc1C[NH2+]CCCN1CCCC1=O ZINC000040731720 208265185 /nfs/dbraw/zinc/26/51/85/208265185.db2.gz LEMBDESUYYMUAJ-UHFFFAOYSA-N 1 0 352.478 3.676 50 0 FHAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]CCCOC(C)C)cc1 ZINC000040732902 208265537 /nfs/dbraw/zinc/26/55/37/208265537.db2.gz COODKCRSHGNJNT-UHFFFAOYSA-N 1 0 370.493 3.917 50 0 FHAARO CCOc1cc(C[NH2+]C[C@H]2CCCO2)cc(Br)c1OC(C)C ZINC000040729028 208265776 /nfs/dbraw/zinc/26/57/76/208265776.db2.gz FMOMVQZODDDINV-CQSZACIVSA-N 1 0 372.303 3.904 50 0 FHAARO OCCOCC[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732484 208265874 /nfs/dbraw/zinc/26/58/74/208265874.db2.gz OVXWLNIVOCABHW-UHFFFAOYSA-N 1 0 370.276 3.671 50 0 FHAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]Cc3ccncc3)cc2)cc1 ZINC000040733147 208266385 /nfs/dbraw/zinc/26/63/85/208266385.db2.gz GSLNINGUTBDUJN-UHFFFAOYSA-N 1 0 361.445 3.697 50 0 FHAARO Cc1ccccc1COc1cccc(C[NH2+]CCCN2CCCC2=O)c1 ZINC000040738381 208266402 /nfs/dbraw/zinc/26/64/02/208266402.db2.gz LLEDUOJWRBQVGP-UHFFFAOYSA-N 1 0 352.478 3.676 50 0 FHAARO COc1cccc(C[NH2+]CCCO)c1OCc1c(F)cccc1Cl ZINC000040743725 208267637 /nfs/dbraw/zinc/26/76/37/208267637.db2.gz SXESZABSZJYXJM-UHFFFAOYSA-N 1 0 353.821 3.539 50 0 FHAARO COc1cc(C[NH2+]CCCO)cc(Cl)c1OCc1ccccc1F ZINC000040744905 208268650 /nfs/dbraw/zinc/26/86/50/208268650.db2.gz JEQTXRZBHVNWIZ-UHFFFAOYSA-N 1 0 353.821 3.539 50 0 FHAARO CCOc1cc(C[NH2+]CCCO)ccc1OCc1ccc(F)cc1Cl ZINC000040743780 208269275 /nfs/dbraw/zinc/26/92/75/208269275.db2.gz YREPHHVOWQUGGE-UHFFFAOYSA-N 1 0 367.848 3.929 50 0 FHAARO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(F)c(C)c2)CC1 ZINC000045346129 208330898 /nfs/dbraw/zinc/33/08/98/208330898.db2.gz WSSSPQGYQFHEOQ-UHFFFAOYSA-N 1 0 369.484 3.906 50 0 FHAARO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000044920036 208323025 /nfs/dbraw/zinc/32/30/25/208323025.db2.gz RJCHPOSDGLSSLG-UHFFFAOYSA-N 1 0 366.505 3.922 50 0 FHAARO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)C1 ZINC000046934458 208369940 /nfs/dbraw/zinc/36/99/40/208369940.db2.gz QQJIKJLBKAZJTN-OAHLLOKOSA-N 1 0 352.434 3.900 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000046049968 208357489 /nfs/dbraw/zinc/35/74/89/208357489.db2.gz MPAHNUPOMOJXGO-ZDUSSCGKSA-N 1 0 373.324 3.997 50 0 FHAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000048128510 208386646 /nfs/dbraw/zinc/38/66/46/208386646.db2.gz NFSCTKNIPNPTPN-NSHDSACASA-N 1 0 365.836 3.657 50 0 FHAARO CCCn1cc(-c2ccnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)n2)c(C)n1 ZINC000048261824 208394216 /nfs/dbraw/zinc/39/42/16/208394216.db2.gz VZQVPAZTKJVTFU-UHFFFAOYSA-N 1 0 356.518 3.780 50 0 FHAARO COc1ccccc1NC(=O)C1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000052641791 208437534 /nfs/dbraw/zinc/43/75/34/208437534.db2.gz ZPSNMRGEGSYDPO-XLIONFOSSA-N 1 0 374.525 3.941 50 0 FHAARO CSCC[NH2+]C1CCN(c2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000063871328 208610806 /nfs/dbraw/zinc/61/08/06/208610806.db2.gz UPVVOKJIBKGNGI-UHFFFAOYSA-N 1 0 366.534 3.947 50 0 FHAARO Cc1nn(C)cc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072169458 208820776 /nfs/dbraw/zinc/82/07/76/208820776.db2.gz PHRHCSXFCDELGV-UHFFFAOYSA-N 1 0 360.505 3.636 50 0 FHAARO COCCCN1CC2(CCC1=O)CC[NH+](C[C@H](C)c1ccccc1)CC2 ZINC000091846400 209000292 /nfs/dbraw/zinc/00/02/92/209000292.db2.gz GNINDBXPYZSHQN-IBGZPJMESA-N 1 0 358.526 3.531 50 0 FHAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC000091872192 209002355 /nfs/dbraw/zinc/00/23/55/209002355.db2.gz BUXBKXOVMMOLTF-IBGZPJMESA-N 1 0 350.865 3.704 50 0 FHAARO O=C1CCC2(CC[NH+](C[C@H]3CC=CCC3)CC2)CN1Cc1ccncc1 ZINC000091914892 209003334 /nfs/dbraw/zinc/00/33/34/209003334.db2.gz CEWJLZVFPKIWAE-IBGZPJMESA-N 1 0 353.510 3.643 50 0 FHAARO COc1cc(C)c(CN2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)cc1C(C)C ZINC000091931258 209005045 /nfs/dbraw/zinc/00/50/45/209005045.db2.gz BQNFZCJMLGXHQW-NQIIRXRSSA-N 1 0 362.558 3.652 50 0 FHAARO CC(C)CN1CC2(CC1=O)CC[NH+](Cc1cc3cc(F)ccc3n1C)CC2 ZINC000091943413 209006429 /nfs/dbraw/zinc/00/64/29/209006429.db2.gz QSCKMIVPYREBJH-UHFFFAOYSA-N 1 0 371.500 3.788 50 0 FHAARO C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000096006933 209094638 /nfs/dbraw/zinc/09/46/38/209094638.db2.gz RDSJKCWLSCPGKM-ZYHUDNBSSA-N 1 0 353.816 3.777 50 0 FHAARO CC(=O)Nc1cccc(NC(=O)C[NH2+]C(C2CCCC2)C2CCCC2)c1 ZINC000095986396 209093685 /nfs/dbraw/zinc/09/36/85/209093685.db2.gz OKLDABPLLGMOCX-UHFFFAOYSA-N 1 0 357.498 3.922 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cc(C)no3)CC2)C1 ZINC000091951288 209007665 /nfs/dbraw/zinc/00/76/65/209007665.db2.gz ZRYRIVXQJCOHNC-LJQANCHMSA-N 1 0 367.493 3.715 50 0 FHAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cc2c(s1)CCCC2 ZINC000092028975 209012780 /nfs/dbraw/zinc/01/27/80/209012780.db2.gz QRCPHFNMAYOWCI-GOSISDBHSA-N 1 0 354.519 3.846 50 0 FHAARO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000092028858 209012832 /nfs/dbraw/zinc/01/28/32/209012832.db2.gz YYVSQWHEWWAIGF-UHFFFAOYSA-N 1 0 362.477 3.841 50 0 FHAARO Cc1ccc(C)c(NC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)c1 ZINC000092028085 209013634 /nfs/dbraw/zinc/01/36/34/209013634.db2.gz RLMXCLQUTLHRSH-VQTJNVASSA-N 1 0 364.493 3.827 50 0 FHAARO CCCn1ncc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1C ZINC000092081895 209016345 /nfs/dbraw/zinc/01/63/45/209016345.db2.gz VSCLKDLNTAVSRO-RBBKRZOGSA-N 1 0 352.526 3.698 50 0 FHAARO Cn1c(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)cc2cc(F)ccc21 ZINC000092065902 209017213 /nfs/dbraw/zinc/01/72/13/209017213.db2.gz UIQUMSFJVAGRSR-SFHVURJKSA-N 1 0 357.473 3.798 50 0 FHAARO FC(F)Oc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cc1 ZINC000095354370 209024943 /nfs/dbraw/zinc/02/49/43/209024943.db2.gz XYUFESVJPLFQCI-PKOBYXMFSA-N 1 0 373.447 3.779 50 0 FHAARO COc1ccnc(CN2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)c1 ZINC000095358111 209025552 /nfs/dbraw/zinc/02/55/52/209025552.db2.gz KHJFBNPGLMNQOD-RBBKRZOGSA-N 1 0 365.521 3.619 50 0 FHAARO O=C(NCCSC1CCCCC1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095355906 209025991 /nfs/dbraw/zinc/02/59/91/209025991.db2.gz RIEKLXDSMCLJAZ-UHFFFAOYSA-N 1 0 350.528 3.674 50 0 FHAARO Cc1ccc(OCCN(C)C(=O)C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000095359584 209027863 /nfs/dbraw/zinc/02/78/63/209027863.db2.gz PQESOLHXLUFJQX-NRFANRHFSA-N 1 0 366.505 3.712 50 0 FHAARO COc1cc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cc(OC)c1 ZINC000095362745 209029841 /nfs/dbraw/zinc/02/98/41/209029841.db2.gz OGGZORMSQHHCPQ-PZJWPPBQSA-N 1 0 366.505 3.800 50 0 FHAARO COc1ccc([C@@H]2CN(c3nc4ccccc4s3)C[C@H]2[NH+](C)C)cc1 ZINC000092078533 209016094 /nfs/dbraw/zinc/01/60/94/209016094.db2.gz HTLXUNGLEXOHHJ-FUHWJXTLSA-N 1 0 353.491 3.839 50 0 FHAARO O=C(CC[N@@H+]1CCC[C@H](c2nccn2CC2CCC2)C1)NC1CCCCC1 ZINC000095367388 209030897 /nfs/dbraw/zinc/03/08/97/209030897.db2.gz NHMROIWDHQCEBN-IBGZPJMESA-N 1 0 372.557 3.702 50 0 FHAARO CCC[NH+]1CCC(CC(=O)N2CCCC[C@H]2c2nc(C(C)C)no2)CC1 ZINC000095373622 209034306 /nfs/dbraw/zinc/03/43/06/209034306.db2.gz JHEZHXNTIPCNCE-KRWDZBQOSA-N 1 0 362.518 3.759 50 0 FHAARO CN(CCCNC(=O)C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000095374606 209036656 /nfs/dbraw/zinc/03/66/56/209036656.db2.gz WINRHVZASLNBCP-UHFFFAOYSA-N 1 0 357.542 3.674 50 0 FHAARO Cc1nn(C(C)C)c(C)c1CN(C)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095383928 209041705 /nfs/dbraw/zinc/04/17/05/209041705.db2.gz BEIMIDTWHBBHNX-FQEVSTJZSA-N 1 0 368.525 3.820 50 0 FHAARO COc1cccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)c1 ZINC000095382531 209041747 /nfs/dbraw/zinc/04/17/47/209041747.db2.gz JISACJWSVNCNGO-NRFANRHFSA-N 1 0 364.489 3.676 50 0 FHAARO O=C(CCc1ccc(F)cc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095384209 209042798 /nfs/dbraw/zinc/04/27/98/209042798.db2.gz LGNUVKHTOKTAGE-RBBKRZOGSA-N 1 0 366.480 3.881 50 0 FHAARO Cc1nc(C)c(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)o1 ZINC000095387650 209043650 /nfs/dbraw/zinc/04/36/50/209043650.db2.gz UMLZLPZBWJKNAR-LJQANCHMSA-N 1 0 367.493 3.633 50 0 FHAARO C[C@H]1Cc2ccc(Br)cc2[C@H]1[NH2+]CCSCC(C)(C)O ZINC000095451021 209051327 /nfs/dbraw/zinc/05/13/27/209051327.db2.gz FTMJKCAOUVXJHY-NHYWBVRUSA-N 1 0 358.345 3.776 50 0 FHAARO COc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000095457008 209053633 /nfs/dbraw/zinc/05/36/33/209053633.db2.gz WTEDKEBKTKQMJS-MRXNPFEDSA-N 1 0 364.486 3.535 50 0 FHAARO CC[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000095462591 209053960 /nfs/dbraw/zinc/05/39/60/209053960.db2.gz AQGAZQMOAXBZTG-INIZCTEOSA-N 1 0 372.412 3.594 50 0 FHAARO CC[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000095462592 209054535 /nfs/dbraw/zinc/05/45/35/209054535.db2.gz AQGAZQMOAXBZTG-MRXNPFEDSA-N 1 0 372.412 3.594 50 0 FHAARO Cc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)cs1 ZINC000095498057 209059395 /nfs/dbraw/zinc/05/93/95/209059395.db2.gz MYEICXWASSRMGU-RBUKOAKNSA-N 1 0 369.534 3.621 50 0 FHAARO CCC[NH+]1CCC(CC(=O)NCc2cc(-c3ccccc3F)no2)CC1 ZINC000095499759 209061242 /nfs/dbraw/zinc/06/12/42/209061242.db2.gz KEKOCQVEGWCRKN-UHFFFAOYSA-N 1 0 359.445 3.609 50 0 FHAARO Cc1noc(C)c1[C@H](C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000095957908 209089737 /nfs/dbraw/zinc/08/97/37/209089737.db2.gz POXKYVUFGZVSSQ-ZDUSSCGKSA-N 1 0 359.495 3.582 50 0 FHAARO COCCC[NH+]1CCN(C(=O)Nc2cccc(-c3ccccc3)c2)CC1 ZINC000095504872 209064886 /nfs/dbraw/zinc/06/48/86/209064886.db2.gz HSOHDRHVJRYXEX-UHFFFAOYSA-N 1 0 353.466 3.540 50 0 FHAARO COc1cccc(-c2cccc(NC(=O)[C@@H]3CCCC[N@@H+]3CCCO)c2)c1 ZINC000095509391 209067866 /nfs/dbraw/zinc/06/78/66/209067866.db2.gz AKUAKYJEGIPJNW-NRFANRHFSA-N 1 0 368.477 3.538 50 0 FHAARO Cc1csc2nc(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cn12 ZINC000095510118 209068925 /nfs/dbraw/zinc/06/89/25/209068925.db2.gz OTAHMMJXJZSMJO-UHFFFAOYSA-N 1 0 368.506 3.620 50 0 FHAARO COc1cccc(N2CCC([N@@H+]3CC[C@@](O)(C4CCC4)[C@H](C)C3)CC2)c1 ZINC000091713115 132203303 /nfs/dbraw/zinc/20/33/03/132203303.db2.gz KOMBZGHLNNQJIE-VGSWGCGISA-N 1 0 358.526 3.537 50 0 FHAARO Cc1cccc(C)c1OCC[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000095469157 132211603 /nfs/dbraw/zinc/21/16/03/132211603.db2.gz TXSNSTVOSNFUMF-UHFFFAOYSA-N 1 0 354.494 3.651 50 0 FHAARO C[C@H]1C[C@@H](Nc2ccccc2N2CCC(O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000095997206 132216757 /nfs/dbraw/zinc/21/67/57/132216757.db2.gz GLCWBGLYXDCCKI-AZUAARDMSA-N 1 0 365.521 3.723 50 0 FHAARO CSc1c[nH+]c2ccccc2c1N1CCN(Cc2cc(C)no2)CC1 ZINC000096011485 132216918 /nfs/dbraw/zinc/21/69/18/132216918.db2.gz WHCMYXXJPNZRLR-UHFFFAOYSA-N 1 0 354.479 3.575 50 0 FHAARO C[C@@H](c1ccc(-c2nccc(N3CCC(O)CC3)n2)cc1)[NH+]1CCCCC1 ZINC000097681875 132230486 /nfs/dbraw/zinc/23/04/86/132230486.db2.gz HKTYLUQITYWVCL-KRWDZBQOSA-N 1 0 366.509 3.652 50 0 FHAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccnc2Oc2ccccc2F)C1 ZINC000095521246 209073127 /nfs/dbraw/zinc/07/31/27/209073127.db2.gz PIRJUUUTBGVMLW-HNNXBMFYSA-N 1 0 372.444 3.961 50 0 FHAARO C[C@H](SCc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000059274430 136132084 /nfs/dbraw/zinc/13/20/84/136132084.db2.gz DTDPXPDBECYUCK-KRWDZBQOSA-N 1 0 369.534 3.699 50 0 FHAARO CCC[C@@H]1CC[N@@H+](C2CCN(c3cccc(N4CCCC4=O)c3)CC2)C1 ZINC000063857279 136133026 /nfs/dbraw/zinc/13/30/26/136133026.db2.gz SNSGZLTUWPNHNA-GOSISDBHSA-N 1 0 355.526 3.904 50 0 FHAARO Fc1cccc(-c2ccc(N3CCC(N4CCC[NH2+]CC4)CC3)cc2)c1 ZINC000063845213 136133045 /nfs/dbraw/zinc/13/30/45/136133045.db2.gz IUWDTMCYLAYFEE-UHFFFAOYSA-N 1 0 353.485 3.757 50 0 FHAARO Cc1nn(C)c2nc(NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)sc12 ZINC000095525212 209076547 /nfs/dbraw/zinc/07/65/47/209076547.db2.gz NNCHGWAUDZCICP-MRXNPFEDSA-N 1 0 355.511 3.662 50 0 FHAARO COc1ccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c(OC)c1 ZINC000019782037 263376168 /nfs/dbraw/zinc/37/61/68/263376168.db2.gz WJFNCQICYJEROL-UHFFFAOYSA-N 1 0 365.477 3.503 50 0 FHAARO CCOc1cc(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)ccc1O ZINC000019787852 263377447 /nfs/dbraw/zinc/37/74/47/263377447.db2.gz VSXVHQMNGSTDBF-OAQYLSRUSA-N 1 0 366.505 3.814 50 0 FHAARO CCC[NH+]1CCC(CC(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000091468388 519842226 /nfs/dbraw/zinc/84/22/26/519842226.db2.gz ZVCJPUXRISFLNE-QFIPXVFZSA-N 1 0 351.494 3.799 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNCc1cccc(OC)c1OCc1ccccc1F ZINC000020029443 521640606 /nfs/dbraw/zinc/64/06/06/521640606.db2.gz VWZSBFYGZBKDQS-LJQANCHMSA-N 1 0 372.484 3.987 50 0 FHAARO COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@H](O)c3ccccc3)o2)cc1 ZINC000019872457 521925532 /nfs/dbraw/zinc/92/55/32/521925532.db2.gz IZCMAOLFFOUIRG-IBGZPJMESA-N 1 0 351.402 3.556 50 0 FHAARO COc1cc(Br)cc(C[NH2+]CCc2ccccc2)c1OC ZINC000020933673 522026876 /nfs/dbraw/zinc/02/68/76/522026876.db2.gz BFLBCAXLYCKREK-UHFFFAOYSA-N 1 0 350.256 3.799 50 0 FHAARO COc1cc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc(OC)c1 ZINC000239338917 522385131 /nfs/dbraw/zinc/38/51/31/522385131.db2.gz LKLRJFSEZURBRF-FCHUYYIVSA-N 1 0 358.526 3.933 50 0 FHAARO CN(CC[NH+]1CCCC1)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000089899975 522832792 /nfs/dbraw/zinc/83/27/92/522832792.db2.gz ZBOJBHKBPMQYPE-FQEVSTJZSA-N 1 0 362.477 3.854 50 0 FHAARO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCC1CC[NH+](C)CC1 ZINC000078578820 523055382 /nfs/dbraw/zinc/05/53/82/523055382.db2.gz FCGPJSJPXFZKNY-HXUWFJFHSA-N 1 0 354.494 3.845 50 0 FHAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000089361358 523352762 /nfs/dbraw/zinc/35/27/62/523352762.db2.gz ICXDSFKFHYLEEB-NRFANRHFSA-N 1 0 369.484 3.751 50 0 FHAARO C[N@H+](Cc1ccoc1)Cc1ccc(-c2nc(-c3ccccn3)cc(=O)[nH]2)cc1 ZINC000020866300 523475032 /nfs/dbraw/zinc/47/50/32/523475032.db2.gz PTPJFJDAFYPYBZ-UHFFFAOYSA-N 1 0 372.428 3.724 50 0 FHAARO Cc1cc(C)cc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000020889943 524427712 /nfs/dbraw/zinc/42/77/12/524427712.db2.gz VSSHERIMNKVYQL-UHFFFAOYSA-N 1 0 366.509 3.637 50 0 FHAARO Cc1cc(C)cc(OCCN(C)C(=O)c2ccc(C[NH+]3CCCC3)o2)c1 ZINC000055306746 524446295 /nfs/dbraw/zinc/44/62/95/524446295.db2.gz XDGWZSUNYTUILW-UHFFFAOYSA-N 1 0 356.466 3.643 50 0 FHAARO COc1ccccc1NC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091462010 524612955 /nfs/dbraw/zinc/61/29/55/524612955.db2.gz NNGVYTYQKLHPGW-RTBURBONSA-N 1 0 365.477 3.824 50 0 FHAARO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C[C@H](C)O)cc1 ZINC000020874576 524628728 /nfs/dbraw/zinc/62/87/28/524628728.db2.gz FFCSSRUXZBKLGF-AWEZNQCLSA-N 1 0 364.283 3.807 50 0 FHAARO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C[C@@H](C)O)cc1 ZINC000020874574 524629468 /nfs/dbraw/zinc/62/94/68/524629468.db2.gz FFCSSRUXZBKLGF-CQSZACIVSA-N 1 0 364.283 3.807 50 0 FHAARO Cc1ccccc1NC(=O)CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019850800 525231834 /nfs/dbraw/zinc/23/18/34/525231834.db2.gz TXZLWHHYQQLVPC-YRNVUSSQSA-N 1 0 363.505 3.655 50 0 FHAARO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)NCCNc1cc[nH+]cc1C ZINC000091434974 525415350 /nfs/dbraw/zinc/41/53/50/525415350.db2.gz PTUZSUCLNAISJR-UHFFFAOYSA-N 1 0 350.466 3.567 50 0 FHAARO Cc1ccc([C@H](CC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c2ccco2)cc1 ZINC000239274607 525952271 /nfs/dbraw/zinc/95/22/71/525952271.db2.gz ALGBIQNSNSQKKV-IZBJGVDFSA-N 1 0 354.494 3.955 50 0 FHAARO O[C@H](CSc1ccccc1Cl)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020384929 526292122 /nfs/dbraw/zinc/29/21/22/526292122.db2.gz XXQIVDMNQZDYMB-KRWDZBQOSA-N 1 0 362.926 3.615 50 0 FHAARO Fc1ccc(OCCN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000091625462 526356957 /nfs/dbraw/zinc/35/69/57/526356957.db2.gz XIMDDDPXSMFNLW-PZJWPPBQSA-N 1 0 354.469 3.801 50 0 FHAARO Cc1noc2ncnc(NCC3CC[NH+](Cc4ccc(C)cc4)CC3)c12 ZINC000020575206 526688310 /nfs/dbraw/zinc/68/83/10/526688310.db2.gz UTHBFHBLLMVRPS-UHFFFAOYSA-N 1 0 351.454 3.559 50 0 FHAARO Cc1ncc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)s1 ZINC000020534133 527254184 /nfs/dbraw/zinc/25/41/84/527254184.db2.gz WRHWAYHCAFNJED-UHFFFAOYSA-N 1 0 373.526 3.614 50 0 FHAARO CCC(CC)[C@@H]([NH2+]Cc1cnc(N2CCOCC2)nc1)c1ccccc1 ZINC000048302019 535111820 /nfs/dbraw/zinc/11/18/20/535111820.db2.gz ZHLGSTICBLSHLO-HXUWFJFHSA-N 1 0 354.498 3.580 50 0 FHAARO CCCO[C@H]1CCC[N@@H+](C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC000095388952 535239839 /nfs/dbraw/zinc/23/98/39/535239839.db2.gz WZPBSEHXXPINGQ-KRWDZBQOSA-N 1 0 371.447 3.960 50 0 FHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccsc2)CC1 ZINC000009613661 536421554 /nfs/dbraw/zinc/42/15/54/536421554.db2.gz DJOWGAHVTBJYAO-GORDUTHDSA-N 1 0 361.898 3.805 50 0 FHAARO CC[NH2+]CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OCC)cc21 ZINC000001915975 560185226 /nfs/dbraw/zinc/18/52/26/560185226.db2.gz BHVLAOZBEMMGPS-UHFFFAOYSA-N 1 0 367.449 3.628 50 0 in-vitro FHAARO CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC[NH+](C)C ZINC000003779750 560189454 /nfs/dbraw/zinc/18/94/54/560189454.db2.gz VNLQPSLXSAMMMJ-PIOKUXGXSA-N 1 0 367.574 3.520 50 0 in-vitro FHAARO COc1ccc(CN2CC(Oc3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000214976772 568036816 /nfs/dbraw/zinc/03/68/16/568036816.db2.gz CCIMCKHWEASLFX-UHFFFAOYSA-N 1 0 352.478 3.554 50 0 FHAARO Cn1cnnc1Sc1ccc(CN2CCCC[C@@H]2c2nccs2)o1 ZINC000215266989 568060794 /nfs/dbraw/zinc/06/07/94/568060794.db2.gz VUSPRFUFZTVUGM-CYBMUJFWSA-N 1 0 361.496 3.743 50 0 FHAARO CC1(C)CC(NC(=O)COc2cccc(C(F)(F)F)c2)CC(C)(C)[NH2+]1 ZINC000027935569 568078611 /nfs/dbraw/zinc/07/86/11/568078611.db2.gz RDVCQIABIUVVPL-UHFFFAOYSA-N 1 0 358.404 3.510 50 0 FHAARO O=C(CC1CC[NH2+]CC1)N(Cc1ccncc1)[C@@H]1CCCc2ccccc21 ZINC000215857047 568092755 /nfs/dbraw/zinc/09/27/55/568092755.db2.gz UHPANAGCPBWCJD-JOCHJYFZSA-N 1 0 363.505 3.878 50 0 FHAARO C[N@H+](C[C@@H]1CC1(c1ccccc1)c1ccccc1)CC1(CO)CCOCC1 ZINC000216237247 568114060 /nfs/dbraw/zinc/11/40/60/568114060.db2.gz WONDKWDMRDCCCW-QFIPXVFZSA-N 1 0 365.517 3.714 50 0 FHAARO CCc1noc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 ZINC000216259572 568115162 /nfs/dbraw/zinc/11/51/62/568115162.db2.gz HNTSUOVPWVRSSO-GOSISDBHSA-N 1 0 360.477 3.504 50 0 FHAARO CC(C)COc1ccc(C(=O)O[C@H]2CC(C)(C)OC[C@@H]2C[NH+](C)C)cc1 ZINC000000826071 568305611 /nfs/dbraw/zinc/30/56/11/568305611.db2.gz SSALKHAQQLSWJX-HKUYNNGSSA-N 1 0 363.498 3.624 50 0 FHAARO CN(Cc1cccc2cnccc21)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000219840792 568307093 /nfs/dbraw/zinc/30/70/93/568307093.db2.gz NVFIZLXOJPLGIC-FQEVSTJZSA-N 1 0 359.473 3.683 50 0 FHAARO O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008389135 568310067 /nfs/dbraw/zinc/31/00/67/568310067.db2.gz PPGIPWWHYCDEKB-FQEVSTJZSA-N 1 0 361.489 3.881 50 0 FHAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000023078448 568336491 /nfs/dbraw/zinc/33/64/91/568336491.db2.gz CUIUGCOOLYATSK-LBPRGKRZSA-N 1 0 373.280 3.597 50 0 FHAARO O=C(CN1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000220965172 568376122 /nfs/dbraw/zinc/37/61/22/568376122.db2.gz GGUGSAFMTANISW-UHFFFAOYSA-N 1 0 365.315 3.582 50 0 FHAARO Cc1nccn1-c1ccc(CNC(=O)C2([NH+]3CCCC3)CCCCC2)cc1 ZINC000223747090 568718834 /nfs/dbraw/zinc/71/88/34/568718834.db2.gz PZSDMDLOWXPTST-UHFFFAOYSA-N 1 0 366.509 3.596 50 0 FHAARO COc1cccc([C@H](O)C2CC[NH+](CCc3ccc(F)cc3)CC2)c1OC ZINC000000598040 570438259 /nfs/dbraw/zinc/43/82/59/570438259.db2.gz HXTGXYRHXAGCFP-OAQYLSRUSA-N 1 0 373.468 3.831 50 0 in-man FHAARO CSc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]cnc2C)C3)cc1 ZINC000091781014 570438321 /nfs/dbraw/zinc/43/83/21/570438321.db2.gz NTLYREFSXUONKF-ZWKOTPCHSA-N 1 0 356.539 3.536 50 0 FHAARO CCSc1ccccc1C(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225569811 570449458 /nfs/dbraw/zinc/44/94/58/570449458.db2.gz RXOBMNOGAIRLKU-INIZCTEOSA-N 1 0 364.580 3.746 50 0 FHAARO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000000828584 570459183 /nfs/dbraw/zinc/45/91/83/570459183.db2.gz AUCNBBXCSKXRCT-FQEVSTJZSA-N 1 0 358.507 3.501 50 0 FHAARO CSCCc1nc(-c2ccc(C[NH+](C)C)o2)n(Cc2ccccc2)n1 ZINC000095527310 570468934 /nfs/dbraw/zinc/46/89/34/570468934.db2.gz XMCCXSMPJQKXLJ-UHFFFAOYSA-N 1 0 356.495 3.554 50 0 FHAARO CN(C)C(=O)C1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000072802424 570470913 /nfs/dbraw/zinc/47/09/13/570470913.db2.gz CWOPWMJAQCIFIR-UHFFFAOYSA-N 1 0 361.338 3.886 50 0 FHAARO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000001462637 570500959 /nfs/dbraw/zinc/50/09/59/570500959.db2.gz IRIGUKQDWFKMKD-JOCHJYFZSA-N 1 0 353.506 3.998 50 0 FHAARO OCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000002178082 570516317 /nfs/dbraw/zinc/51/63/17/570516317.db2.gz VOAFSVSOPMAPHF-UHFFFAOYSA-N 1 0 364.283 3.890 50 0 FHAARO Cc1cc(C)cc(C(=O)c2ccc(C[NH+]3CCC4(CC3)OCCO4)cc2)c1 ZINC000002514739 570523083 /nfs/dbraw/zinc/52/30/83/570523083.db2.gz JMKWMPXEUAXOKV-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO O=C(c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1)c1ccccc1Cl ZINC000002515242 570523410 /nfs/dbraw/zinc/52/34/10/570523410.db2.gz VHHARJOLKOHRIB-UHFFFAOYSA-N 1 0 371.864 3.910 50 0 FHAARO CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000002580995 570525759 /nfs/dbraw/zinc/52/57/59/570525759.db2.gz CDSVRPAMPSFOCI-NRFANRHFSA-N 1 0 352.478 3.962 50 0 FHAARO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000002843487 570536195 /nfs/dbraw/zinc/53/61/95/570536195.db2.gz PCRMKKMKFBAEKN-SFHVURJKSA-N 1 0 366.914 3.701 50 0 FHAARO Cc1ccnn1-c1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000023740359 570543943 /nfs/dbraw/zinc/54/39/43/570543943.db2.gz CFGIZXQDAGVDRI-QFIPXVFZSA-N 1 0 374.488 3.748 50 0 FHAARO O=C(CCc1cccnc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023957220 570546604 /nfs/dbraw/zinc/54/66/04/570546604.db2.gz GFLWFVMTOYQVKJ-UHFFFAOYSA-N 1 0 359.473 3.512 50 0 FHAARO CC(C)C[NH+](CC(C)C)C[C@@H](O)COc1ccccc1Br ZINC000002992168 570548639 /nfs/dbraw/zinc/54/86/39/570548639.db2.gz HAGMIUXRVWGUFA-OAHLLOKOSA-N 1 0 358.320 3.803 50 0 FHAARO Brc1cccc(CSc2nnc(C3CC[NH2+]CC3)o2)c1 ZINC000011903979 570599417 /nfs/dbraw/zinc/59/94/17/570599417.db2.gz IFUKHUZOBXDBAN-UHFFFAOYSA-N 1 0 354.273 3.591 50 0 FHAARO O=C(c1ccc(-c2ncccc2F)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000426506673 570613254 /nfs/dbraw/zinc/61/32/54/570613254.db2.gz MWEDBNUHQJVULB-UHFFFAOYSA-N 1 0 353.441 3.588 50 0 FHAARO CCN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cn1 ZINC000252485383 570622686 /nfs/dbraw/zinc/62/26/86/570622686.db2.gz GSWFUUGOOBTTIA-UHFFFAOYSA-N 1 0 370.472 3.528 50 0 FHAARO C[NH+]1CCN(c2nc(-c3ccccc3)nnc2-c2ccc(Cl)cc2)CC1 ZINC000005525583 570666819 /nfs/dbraw/zinc/66/68/19/570666819.db2.gz VMCYADWRWLHIQQ-UHFFFAOYSA-N 1 0 365.868 3.611 50 0 FHAARO Cc1ccc(NC(=O)CC[NH+]2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000022866813 570695255 /nfs/dbraw/zinc/69/52/55/570695255.db2.gz OTRXMCGDEVYTFQ-YVMONPNESA-N 1 0 363.505 3.655 50 0 FHAARO C[C@H]([NH3+])C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F ZINC000156439256 570714402 /nfs/dbraw/zinc/71/44/02/570714402.db2.gz KLOMEOVMDFQDCN-VIFPVBQESA-N 1 0 374.309 3.739 50 0 FHAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3Cl)C2)c1 ZINC000012704366 570757454 /nfs/dbraw/zinc/75/74/54/570757454.db2.gz UCPLZDISEZELNR-INIZCTEOSA-N 1 0 358.869 3.743 50 0 FHAARO COc1cccc(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000012727140 570758668 /nfs/dbraw/zinc/75/86/68/570758668.db2.gz IJDYCFNUYPIQSI-UHFFFAOYSA-N 1 0 371.456 3.868 50 0 FHAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)[C@H]2CC=CCC2)cc1 ZINC000012744973 570759088 /nfs/dbraw/zinc/75/90/88/570759088.db2.gz JRNSWTFXGIWAFP-NRFANRHFSA-N 1 0 370.537 3.764 50 0 FHAARO Cc1csc2nc(C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)cc(=O)n12 ZINC000012796148 570762794 /nfs/dbraw/zinc/76/27/94/570762794.db2.gz QGTUENWFRADLSP-UHFFFAOYSA-N 1 0 367.396 3.715 50 0 FHAARO COc1ccc([C@@H](C[NH2+]Cc2ccc(OC)cc2OC)N2CCCC2)cc1 ZINC000022932974 570768194 /nfs/dbraw/zinc/76/81/94/570768194.db2.gz LROZQAGIGPGDQB-OAQYLSRUSA-N 1 0 370.493 3.639 50 0 FHAARO CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc3ccccc3c2)C1 ZINC000051058527 570778808 /nfs/dbraw/zinc/77/88/08/570778808.db2.gz GAIZDGHXIBLMDL-SFTDATJTSA-N 1 0 354.494 3.502 50 0 FHAARO C[N@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCc2ccccc21 ZINC000014017074 570801891 /nfs/dbraw/zinc/80/18/91/570801891.db2.gz LYMSNBNHDITCHJ-INIZCTEOSA-N 1 0 374.387 3.956 50 0 FHAARO Cc1cccc(Oc2ccc(NC(=O)C[NH2+]C3CCC(O)CC3)cc2)c1 ZINC000014135952 570807672 /nfs/dbraw/zinc/80/76/72/570807672.db2.gz HFVCHAQMUUKNJV-UHFFFAOYSA-N 1 0 354.450 3.619 50 0 FHAARO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000014227763 570813938 /nfs/dbraw/zinc/81/39/38/570813938.db2.gz ZPNSGXFOTKTMIG-UHFFFAOYSA-N 1 0 352.478 3.540 50 0 FHAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CC1CCCCC1)C2 ZINC000014752741 570822944 /nfs/dbraw/zinc/82/29/44/570822944.db2.gz IXJLCRZMOIYPQO-GOSISDBHSA-N 1 0 372.557 3.556 50 0 FHAARO CSc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000014959341 570826993 /nfs/dbraw/zinc/82/69/93/570826993.db2.gz DTPJDTGCVYGFFR-GOSISDBHSA-N 1 0 354.519 3.845 50 0 FHAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)CCc2ccco2)C1 ZINC000014960037 570827037 /nfs/dbraw/zinc/82/70/37/570827037.db2.gz NBDIIMNCUYMUPO-FQEVSTJZSA-N 1 0 354.494 3.625 50 0 FHAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+]([C@@H](C)COC)CC1 ZINC000014980310 570827795 /nfs/dbraw/zinc/82/77/95/570827795.db2.gz WFZXUEOFSCOJIH-HNNXBMFYSA-N 1 0 353.890 3.563 50 0 FHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CC(F)(F)F ZINC000014977677 570828092 /nfs/dbraw/zinc/82/80/92/570828092.db2.gz YIDWCFAYELUJNN-INIZCTEOSA-N 1 0 374.422 3.881 50 0 FHAARO COc1ccc(C[NH2+][C@@H]2CCCc3nc(-c4cccnc4)ncc32)cc1F ZINC000015071001 570831658 /nfs/dbraw/zinc/83/16/58/570831658.db2.gz JXGIUARPFFHHOO-GOSISDBHSA-N 1 0 364.424 3.854 50 0 FHAARO COc1cccc2c1OC[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)C2 ZINC000015071321 570831684 /nfs/dbraw/zinc/83/16/84/570831684.db2.gz XIMVAJNJZMXFFH-INIZCTEOSA-N 1 0 351.368 3.850 50 0 FHAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(COC)o2)C1 ZINC000015075227 570832030 /nfs/dbraw/zinc/83/20/30/570832030.db2.gz GNFYXTSIZKKDNS-JOCHJYFZSA-N 1 0 371.477 3.814 50 0 FHAARO Cn1c2ccc(C[NH2+]C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)cc2n(C)c1=O ZINC000016606073 570859128 /nfs/dbraw/zinc/85/91/28/570859128.db2.gz XVONFMYYKZXHKZ-NJMHRBNOSA-N 1 0 353.510 3.716 50 0 FHAARO COc1ccc(C(=O)[C@H](C)[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 ZINC000016995501 570864535 /nfs/dbraw/zinc/86/45/35/570864535.db2.gz AMTYUPTVHGATDY-HNNXBMFYSA-N 1 0 365.428 3.980 50 0 FHAARO Cc1ccccc1N1C(=O)C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000018249791 570877423 /nfs/dbraw/zinc/87/74/23/570877423.db2.gz XXYIARFTVHCKHX-OAQYLSRUSA-N 1 0 362.473 3.582 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000012140165 570890292 /nfs/dbraw/zinc/89/02/92/570890292.db2.gz GQWGTSDTNYYQQR-KRWDZBQOSA-N 1 0 359.857 3.953 50 0 FHAARO CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000106922517 570894350 /nfs/dbraw/zinc/89/43/50/570894350.db2.gz ZTWSFFSBFYQQQV-HUUCEWRRSA-N 1 0 371.447 3.696 50 0 FHAARO COc1ccc(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1O ZINC000019743357 570901722 /nfs/dbraw/zinc/90/17/22/570901722.db2.gz WASJSOHWBOCRGS-FQEVSTJZSA-N 1 0 354.494 3.540 50 0 FHAARO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000019794476 570903291 /nfs/dbraw/zinc/90/32/91/570903291.db2.gz DLLNEFBJVYNQMD-NRFANRHFSA-N 1 0 362.473 3.582 50 0 FHAARO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000019889566 570905300 /nfs/dbraw/zinc/90/53/00/570905300.db2.gz SLMWKNYKHBTVTM-ZWCZNYOASA-N 1 0 352.478 3.513 50 0 FHAARO COc1cc(C)c(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1C ZINC000020905910 570926689 /nfs/dbraw/zinc/92/66/89/570926689.db2.gz XJSNYMDLJRYZIV-UHFFFAOYSA-N 1 0 362.477 3.629 50 0 FHAARO COc1ccc(NC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)cc1 ZINC000021663438 570932397 /nfs/dbraw/zinc/93/23/97/570932397.db2.gz ZSHFDDGLSKTURG-UHFFFAOYSA-N 1 0 371.506 3.921 50 0 FHAARO CC1CCN([C@@H](C[NH2+]C[C@H](O)COc2ccccc2)c2cccs2)CC1 ZINC000022030061 570937810 /nfs/dbraw/zinc/93/78/10/570937810.db2.gz XVMDYZMIUIBHTN-ICSRJNTNSA-N 1 0 374.550 3.551 50 0 FHAARO COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000022766887 570949606 /nfs/dbraw/zinc/94/96/06/570949606.db2.gz WTUMLFREYMXMKQ-AWEZNQCLSA-N 1 0 353.875 3.835 50 0 FHAARO CCCCc1nc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)c[nH]1 ZINC000022851474 570950974 /nfs/dbraw/zinc/95/09/74/570950974.db2.gz CXDMHSQWIWGAJY-OAQYLSRUSA-N 1 0 354.542 3.891 50 0 FHAARO Cc1[nH+]c(/C=C2/N=C(c3ccc(OC(C)C)cc3)OC2=O)c2ccccn12 ZINC000048366826 570952397 /nfs/dbraw/zinc/95/23/97/570952397.db2.gz IIAYJEVVIHEKTQ-LDADJPATSA-N 1 0 361.401 3.774 50 0 FHAARO OCC[C@@H]1CN(Cc2c[nH]nc2C2CCCCC2)CC[N@@H+]1C1CCCCC1 ZINC000022913896 570952651 /nfs/dbraw/zinc/95/26/51/570952651.db2.gz YQRAITKRJXUQEW-OAQYLSRUSA-N 1 0 374.573 3.659 50 0 FHAARO CC[NH+]1CCC(N(C(=O)Cc2csc(-c3ccc(C)o3)n2)C2CC2)CC1 ZINC000048375433 570954076 /nfs/dbraw/zinc/95/40/76/570954076.db2.gz BNWYZZBUARRVRS-UHFFFAOYSA-N 1 0 373.522 3.729 50 0 FHAARO CC(=O)Nc1ccc(CN(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000023372992 570962052 /nfs/dbraw/zinc/96/20/52/570962052.db2.gz SUFCVSDVVQSZKI-HSZRJFAPSA-N 1 0 365.521 3.784 50 0 FHAARO CCc1cc(=O)[nH]c(-c2cccc(C[N@@H+]3CCC[C@@H]3c3ccccn3)c2)n1 ZINC000023398268 570963298 /nfs/dbraw/zinc/96/32/98/570963298.db2.gz NPQODOZEHOMHKU-HXUWFJFHSA-N 1 0 360.461 3.731 50 0 FHAARO COC[C@@H](C)[NH2+]C1CCN(c2ccc(-c3cccc(OC)c3)cc2)CC1 ZINC000023619680 570966018 /nfs/dbraw/zinc/96/60/18/570966018.db2.gz IHWVLRSAAYECFC-QGZVFWFLSA-N 1 0 354.494 3.956 50 0 FHAARO CCN1CCC[C@H]1C[NH2+][C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000025606652 570997879 /nfs/dbraw/zinc/99/78/79/570997879.db2.gz XFYNEJAINDSACU-HKUYNNGSSA-N 1 0 367.493 3.880 50 0 FHAARO C[C@H](NC(=O)CC[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000025946785 571001674 /nfs/dbraw/zinc/00/16/74/571001674.db2.gz ZZOZDTFMLJEJDL-SFHVURJKSA-N 1 0 364.489 3.849 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(C)c2)cc1 ZINC000026311245 571004814 /nfs/dbraw/zinc/00/48/14/571004814.db2.gz AZDZLRBJHHVDPW-KRWDZBQOSA-N 1 0 360.523 3.876 50 0 FHAARO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CCC(=O)NC1CC1 ZINC000026913058 571009123 /nfs/dbraw/zinc/00/91/23/571009123.db2.gz HKLQFHYQMAODCN-MRXNPFEDSA-N 1 0 365.477 3.600 50 0 FHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc2ccccc2cc1O ZINC000027333894 571011763 /nfs/dbraw/zinc/01/17/63/571011763.db2.gz DXXJAWQSDLHVMO-SFHVURJKSA-N 1 0 350.418 3.705 50 0 FHAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000027541789 571013437 /nfs/dbraw/zinc/01/34/37/571013437.db2.gz RMXAATIYJQJYQM-QGZVFWFLSA-N 1 0 358.449 3.646 50 0 FHAARO COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000027583899 571015090 /nfs/dbraw/zinc/01/50/90/571015090.db2.gz MVOKRMWMBCMZRV-OAQYLSRUSA-N 1 0 352.478 3.961 50 0 FHAARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793060 571021104 /nfs/dbraw/zinc/02/11/04/571021104.db2.gz YCZQNNBTLMMKIY-NRFANRHFSA-N 1 0 352.478 3.961 50 0 FHAARO Cc1c[nH+]c(C)n1Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)o1 ZINC000028047622 571026727 /nfs/dbraw/zinc/02/67/27/571026727.db2.gz XMMVQEKTPREDJS-LLVKDONJSA-N 1 0 370.478 3.975 50 0 FHAARO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000028739580 571034125 /nfs/dbraw/zinc/03/41/25/571034125.db2.gz ISVGMTSVJXTUBS-UHFFFAOYSA-N 1 0 357.885 3.799 50 0 FHAARO O=C(NCCc1ccccc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038489607 571043779 /nfs/dbraw/zinc/04/37/79/571043779.db2.gz GBPYJBIVSKKJSN-UHFFFAOYSA-N 1 0 357.523 3.502 50 0 FHAARO Cc1nc(-c2ccccn2)sc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000029787939 571043788 /nfs/dbraw/zinc/04/37/88/571043788.db2.gz VCWLEIUQKMTWPX-UHFFFAOYSA-N 1 0 358.511 3.553 50 0 FHAARO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000012689543 571043896 /nfs/dbraw/zinc/04/38/96/571043896.db2.gz MEFXITHJOAQDJI-FQEVSTJZSA-N 1 0 363.461 3.837 50 0 FHAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)C1(c2ccccc2)CCOCC1 ZINC000038674345 571048814 /nfs/dbraw/zinc/04/88/14/571048814.db2.gz ZMJALXVNUOYZRN-UHFFFAOYSA-N 1 0 370.537 3.506 50 0 FHAARO CN(C)c1cc(-c2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)ccn1 ZINC000083854215 571053320 /nfs/dbraw/zinc/05/33/20/571053320.db2.gz OJECVRRVYLISKB-GOSISDBHSA-N 1 0 363.465 3.577 50 0 FHAARO CC(C)N(C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO)c1ccccc1 ZINC000225672518 571054808 /nfs/dbraw/zinc/05/48/08/571054808.db2.gz BPKGQAPHUBJWRC-NRFANRHFSA-N 1 0 354.494 3.777 50 0 FHAARO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1OC1CCCC1 ZINC000083923583 571060165 /nfs/dbraw/zinc/06/01/65/571060165.db2.gz SSTSHNYFSIMUJW-GOSISDBHSA-N 1 0 372.509 3.717 50 0 FHAARO CCCc1nn2c(nc(C[N@H+](CCC)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032204 571061462 /nfs/dbraw/zinc/06/14/62/571061462.db2.gz KHXXKCUNTGXOJZ-UHFFFAOYSA-N 1 0 374.485 3.655 50 0 FHAARO C[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)COCc1cccs1 ZINC000068047596 571062522 /nfs/dbraw/zinc/06/25/22/571062522.db2.gz IDVJPODBTNEHMR-HNNXBMFYSA-N 1 0 370.312 3.520 50 0 FHAARO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4cccc(C(N)=O)c4)CC3)c2c1 ZINC000053074311 571062638 /nfs/dbraw/zinc/06/26/38/571062638.db2.gz LUYOHMNPVKTGMP-UHFFFAOYSA-N 1 0 361.445 3.565 50 0 FHAARO COc1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc(OC)c1O ZINC000002498136 571070078 /nfs/dbraw/zinc/07/00/78/571070078.db2.gz AFXOBXNEYJVRGI-UHFFFAOYSA-N 1 0 351.446 3.970 50 0 FHAARO COc1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1OC ZINC000022859273 571071546 /nfs/dbraw/zinc/07/15/46/571071546.db2.gz WZXQIVKQISBHGM-CTNGQTDRSA-N 1 0 358.526 3.933 50 0 FHAARO CCc1nc2ccccc2c(NC(=O)C[NH2+]CCc2ccc(O)cc2)c1C ZINC000003683743 571072022 /nfs/dbraw/zinc/07/20/22/571072022.db2.gz AKYBRTWSYUDJIL-UHFFFAOYSA-N 1 0 363.461 3.582 50 0 FHAARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000040087480 571073995 /nfs/dbraw/zinc/07/39/95/571073995.db2.gz WFCSZMVUIYCNAC-HUUCEWRRSA-N 1 0 358.507 3.596 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000012757514 571078305 /nfs/dbraw/zinc/07/83/05/571078305.db2.gz ZBEATSAYMDICKF-UHFFFAOYSA-N 1 0 368.477 3.847 50 0 FHAARO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc3c(c2)nc(C)n3C)c1 ZINC000060295610 571088490 /nfs/dbraw/zinc/08/84/90/571088490.db2.gz CSZTUFFNVRUAME-UHFFFAOYSA-N 1 0 350.466 3.976 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000015617257 571095152 /nfs/dbraw/zinc/09/51/52/571095152.db2.gz GQFJORMVLWHJEB-UHFFFAOYSA-N 1 0 354.494 3.840 50 0 FHAARO CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-c3ccccc3OC)c2)C1 ZINC000230485714 571095984 /nfs/dbraw/zinc/09/59/84/571095984.db2.gz JSFGREFYXIURDE-IBGZPJMESA-N 1 0 352.478 3.966 50 0 FHAARO CCC[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(Cl)c(C)c2)CC1 ZINC000040488445 571098806 /nfs/dbraw/zinc/09/88/06/571098806.db2.gz QBCKEZOORMGDEJ-UHFFFAOYSA-N 1 0 352.906 3.796 50 0 FHAARO O=C(c1ccc(-c2nccs2)cc1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000426640551 571104804 /nfs/dbraw/zinc/10/48/04/571104804.db2.gz UFRZHGCSEJTDNG-GOSISDBHSA-N 1 0 355.507 3.901 50 0 FHAARO CC(C)[NH+]1CCC(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000012441472 571105519 /nfs/dbraw/zinc/10/55/19/571105519.db2.gz YEBHVLQGXOSRAG-UHFFFAOYSA-N 1 0 372.534 3.752 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2C)CC1 ZINC000009368799 571107029 /nfs/dbraw/zinc/10/70/29/571107029.db2.gz HPRZOFZDUXPXHI-UHFFFAOYSA-N 1 0 359.420 3.667 50 0 FHAARO Cc1cc(C)c(NC(=O)CCN2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000240203819 571108912 /nfs/dbraw/zinc/10/89/12/571108912.db2.gz JTRZJFCHYCGXFC-UHFFFAOYSA-N 1 0 363.933 3.846 50 0 FHAARO C[C@H]1C[C@@H](c2nc(-c3ccc(OCc4cccnc4)cc3)no2)CC[N@@H+]1C ZINC000241684886 571110375 /nfs/dbraw/zinc/11/03/75/571110375.db2.gz QGCGHFHRJREPME-YJBOKZPZSA-N 1 0 364.449 3.908 50 0 FHAARO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000241776813 571110386 /nfs/dbraw/zinc/11/03/86/571110386.db2.gz RSVJPJLSNVIJPD-HXUWFJFHSA-N 1 0 354.494 3.643 50 0 FHAARO O=C(c1cc(C2CC2)on1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000242339049 571111182 /nfs/dbraw/zinc/11/11/82/571111182.db2.gz ZELWIXISQVUZJQ-AZUAARDMSA-N 1 0 365.477 3.679 50 0 FHAARO Cc1cccc(-c2n[nH]cc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000072329147 571112833 /nfs/dbraw/zinc/11/28/33/571112833.db2.gz PPQLNZIEZJRFEQ-UHFFFAOYSA-N 1 0 374.488 3.780 50 0 FHAARO COc1cccc(OCC[N@@H+]2CC[C@H](c3cccc(OC)c3OC)C2)c1 ZINC000244719063 571115514 /nfs/dbraw/zinc/11/55/14/571115514.db2.gz 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ZINC000104330286 571126242 /nfs/dbraw/zinc/12/62/42/571126242.db2.gz LECBLZCDJKUKLY-OAQYLSRUSA-N 1 0 364.489 3.810 50 0 FHAARO O=C(c1ccccc1SCc1cscn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000058167214 571126726 /nfs/dbraw/zinc/12/67/26/571126726.db2.gz XKLOVDPKBJAMNQ-UHFFFAOYSA-N 1 0 373.547 3.746 50 0 FHAARO CCCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000248008358 571126907 /nfs/dbraw/zinc/12/69/07/571126907.db2.gz QDFIJXBZEVWNTC-KRWDZBQOSA-N 1 0 356.514 3.527 50 0 FHAARO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCSc2ccccc2)C1 ZINC000058202202 571128706 /nfs/dbraw/zinc/12/87/06/571128706.db2.gz KJWXXBNOBQNZNW-ROUUACIJSA-N 1 0 363.571 3.836 50 0 FHAARO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C[C@@H](C)O)C1CCCCC1 ZINC000058267589 571130391 /nfs/dbraw/zinc/13/03/91/571130391.db2.gz MYQIFHUZNZRRRE-GOSISDBHSA-N 1 0 373.541 3.549 50 0 FHAARO O=C(c1n[nH]cc1Cl)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000252480441 571131510 /nfs/dbraw/zinc/13/15/10/571131510.db2.gz CAEVQEIXJXVOJF-FQEVSTJZSA-N 1 0 372.900 3.582 50 0 FHAARO O=C(CCOc1cccc(F)c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058531825 571133301 /nfs/dbraw/zinc/13/33/01/571133301.db2.gz BXUDEUPXACNIRO-UHFFFAOYSA-N 1 0 374.431 3.515 50 0 FHAARO O=C(c1cc2cc(Br)ccc2o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000060373982 571136300 /nfs/dbraw/zinc/13/63/00/571136300.db2.gz VQZRLKPYHKMMLH-AWEZNQCLSA-N 1 0 363.255 3.506 50 0 FHAARO COc1ccc(CC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCC(C)CC2)cc1 ZINC000015860326 571137955 /nfs/dbraw/zinc/13/79/55/571137955.db2.gz VQRBEZIIHZGSQS-FQEVSTJZSA-N 1 0 370.493 3.729 50 0 FHAARO CCCCOc1ccc(C(=O)Nc2nc3c(s2)CN(CC)CC3)cc1 ZINC000015880164 571140727 /nfs/dbraw/zinc/14/07/27/571140727.db2.gz JNHYGMFVFYTQDX-UHFFFAOYSA-N 1 0 359.495 3.952 50 0 FHAARO CC[C@@]1(CO)[NH2+][C@H](c2ccc(C)c(F)c2)[C@@H]2CN(c3ccccc3)C[C@@H]21 ZINC000065376353 571142597 /nfs/dbraw/zinc/14/25/97/571142597.db2.gz VHRDAKQAEFSAIP-KIZRIRGWSA-N 1 0 354.469 3.672 50 0 FHAARO Cc1ccccc1-n1cc(C2=CCN(CC[NH+]3CCCCC3)CC2)cn1 ZINC000065405704 571142932 /nfs/dbraw/zinc/14/29/32/571142932.db2.gz JBXVHPIDXOPJKZ-UHFFFAOYSA-N 1 0 350.510 3.756 50 0 FHAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1C(=O)N1CCCc2ccccc21 ZINC000065405426 571142990 /nfs/dbraw/zinc/14/29/90/571142990.db2.gz CBAYSEFBAOPBLE-UHFFFAOYSA-N 1 0 361.449 3.687 50 0 FHAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065421031 571143257 /nfs/dbraw/zinc/14/32/57/571143257.db2.gz ICOHCAAEWDHPFK-KRWDZBQOSA-N 1 0 367.884 3.828 50 0 FHAARO CC(C)Cc1noc([C@H]2CCC[N@H+](Cc3coc4ccccc4c3=O)C2)n1 ZINC000065492653 571144106 /nfs/dbraw/zinc/14/41/06/571144106.db2.gz CGDKVXDFXNXXLI-HNNXBMFYSA-N 1 0 367.449 3.754 50 0 FHAARO CC(C)[NH+]1CCC(C(=O)N(Cc2nccs2)Cc2ccccc2)CC1 ZINC000065491147 571144205 /nfs/dbraw/zinc/14/42/05/571144205.db2.gz FKQJJONVCQXOII-UHFFFAOYSA-N 1 0 357.523 3.792 50 0 FHAARO Cc1ccc(Cl)c(NC(=O)c2cccc(C[N@@H+]3CCC[C@@H](O)C3)c2)c1 ZINC000065527971 571144512 /nfs/dbraw/zinc/14/45/12/571144512.db2.gz XTFPOKGXUROIHZ-QGZVFWFLSA-N 1 0 358.869 3.857 50 0 FHAARO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000065506479 571144587 /nfs/dbraw/zinc/14/45/87/571144587.db2.gz MKUTWVTYETYSJD-QGZVFWFLSA-N 1 0 367.493 3.999 50 0 FHAARO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC(O)(c2ccc(C)cn2)CC1 ZINC000067673185 571147824 /nfs/dbraw/zinc/14/78/24/571147824.db2.gz WJSGEAROOSSEAR-UHFFFAOYSA-N 1 0 353.441 3.802 50 0 FHAARO CCc1c[nH]nc1C1CC[NH+](Cc2cc3c(cc2OC)OCCCO3)CC1 ZINC000067676867 571148149 /nfs/dbraw/zinc/14/81/49/571148149.db2.gz FDHFFRQZNYINRG-UHFFFAOYSA-N 1 0 371.481 3.522 50 0 FHAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000067674875 571148155 /nfs/dbraw/zinc/14/81/55/571148155.db2.gz VWBWVZNZLAAEOU-UHFFFAOYSA-N 1 0 367.493 3.793 50 0 FHAARO C[NH+](C)Cc1ccccc1NC(=O)c1cccc(OCc2cccnc2)c1 ZINC000052666225 571148397 /nfs/dbraw/zinc/14/83/97/571148397.db2.gz LMDOUTKDLJXXDX-UHFFFAOYSA-N 1 0 361.445 3.975 50 0 FHAARO Cc1[nH]c2ccc(CNC(=O)[C@@H]3CCC[N@H+](Cc4ccco4)C3)cc2c1C ZINC000067714798 571148478 /nfs/dbraw/zinc/14/84/78/571148478.db2.gz RTINQJWUDLQRCB-GOSISDBHSA-N 1 0 365.477 3.906 50 0 FHAARO O=C(Nc1cnc2n1CCCC2)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000067697107 571148594 /nfs/dbraw/zinc/14/85/94/571148594.db2.gz HLXIOKBNBOVKOA-UHFFFAOYSA-N 1 0 352.482 3.848 50 0 FHAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc4ccccc4c3)cnn2c1 ZINC000067743122 571148794 /nfs/dbraw/zinc/14/87/94/571148794.db2.gz IIYMIVVSBJHMQB-UHFFFAOYSA-N 1 0 373.460 3.977 50 0 FHAARO COc1cc(Oc2ccc(C(=O)N(C)C)cc2)ccc1C[NH+]1CCCC1 ZINC000067756894 571149237 /nfs/dbraw/zinc/14/92/37/571149237.db2.gz LXVJQLYQFWDLAT-UHFFFAOYSA-N 1 0 354.450 3.785 50 0 FHAARO CC(C)([NH3+])C(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067817022 571149704 /nfs/dbraw/zinc/14/97/04/571149704.db2.gz YHAWRVVWKQXKHJ-UHFFFAOYSA-N 1 0 361.445 3.631 50 0 FHAARO O[C@@H]1CN(Cc2ccc3cccc(Cl)c3n2)CC[C@H]1[NH+]1CCCCCC1 ZINC000067856115 571150564 /nfs/dbraw/zinc/15/05/64/571150564.db2.gz NGFKTQSGYIIGIJ-WOJBJXKFSA-N 1 0 373.928 3.699 50 0 FHAARO CC[C@H]([NH2+]C1CCN(C(=O)c2ccccn2)CC1)c1nc(C)c(C)s1 ZINC000067872456 571150728 /nfs/dbraw/zinc/15/07/28/571150728.db2.gz RUJWWVFXLARXQN-INIZCTEOSA-N 1 0 358.511 3.500 50 0 FHAARO Cc1cccc2[nH]c([C@@H]3CCCN3C(=O)C3CC[NH+](C(C)C)CC3)nc21 ZINC000067920119 571151949 /nfs/dbraw/zinc/15/19/49/571151949.db2.gz RSNKOVVAGXNVAO-SFHVURJKSA-N 1 0 354.498 3.655 50 0 FHAARO C[NH+](C)Cc1ccccc1C(=O)N1CCc2onc(-c3ccccc3)c2C1 ZINC000067973711 571152834 /nfs/dbraw/zinc/15/28/34/571152834.db2.gz FXNMBBNBZJDPLG-UHFFFAOYSA-N 1 0 361.445 3.602 50 0 FHAARO C[C@@H]1C[NH+](CCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000075110084 571156118 /nfs/dbraw/zinc/15/61/18/571156118.db2.gz XTLCTTFSOAVKJS-ZIAGYGMSSA-N 1 0 373.419 3.716 50 0 FHAARO Cc1cc(C)c(OCCCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000075252046 571158238 /nfs/dbraw/zinc/15/82/38/571158238.db2.gz PJGQGVWVQWWLRV-UHFFFAOYSA-N 1 0 355.320 3.520 50 0 FHAARO C[NH+]1CCC(Oc2ccc(CNC(=O)CSc3ccccc3)cc2)CC1 ZINC000071384803 571160925 /nfs/dbraw/zinc/16/09/25/571160925.db2.gz QTCWRMCJKLGSCM-UHFFFAOYSA-N 1 0 370.518 3.568 50 0 FHAARO [NH3+]C1(C(=O)N2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)CCC1 ZINC000071745305 571164291 /nfs/dbraw/zinc/16/42/91/571164291.db2.gz LUEQYTNVWBKMLP-CQSZACIVSA-N 1 0 354.416 3.758 50 0 FHAARO CCOc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000071748113 571164651 /nfs/dbraw/zinc/16/46/51/571164651.db2.gz YXENDDBWBOALOC-GOSISDBHSA-N 1 0 352.478 3.825 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)Cc2ccc(O)c(Cl)c2)CCC[N@@H+]1CC1CC1 ZINC000071751347 571164966 /nfs/dbraw/zinc/16/49/66/571164966.db2.gz XORWZULQRBCMKL-SFHVURJKSA-N 1 0 364.917 3.557 50 0 FHAARO COc1ccc([C@@H]2CN(C(=O)CC3CCCC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071760312 571165613 /nfs/dbraw/zinc/16/56/13/571165613.db2.gz LEPUCNJIMNOGPU-MDNUFGMLSA-N 1 0 368.521 3.664 50 0 FHAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](CCCc3cccnc3)C2)c(C)c1 ZINC000071764817 571166070 /nfs/dbraw/zinc/16/60/70/571166070.db2.gz UFOIBIUAZARKIC-IBGZPJMESA-N 1 0 352.478 3.926 50 0 FHAARO Cc1cc2ccccc2n1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063272997 571168134 /nfs/dbraw/zinc/16/81/34/571168134.db2.gz LQJUJJKTXHJSGM-UHFFFAOYSA-N 1 0 353.510 3.721 50 0 FHAARO CCNc1nc(NCCNC(=O)Nc2ccc3ccccc3c2)cc(C)[nH+]1 ZINC000072115737 571169836 /nfs/dbraw/zinc/16/98/36/571169836.db2.gz UQRCHWQGROWOGF-UHFFFAOYSA-N 1 0 364.453 3.604 50 0 FHAARO CN(C)C(=O)CC[C@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000072121717 571170015 /nfs/dbraw/zinc/17/00/15/571170015.db2.gz OYORCOSYBYORAF-GOSISDBHSA-N 1 0 351.494 3.829 50 0 FHAARO C[C@H]1CCC[N@@H+]1Cc1cc2n(n1)CCCN(Cc1ccc3[nH]ccc3c1)C2 ZINC000072131965 571171067 /nfs/dbraw/zinc/17/10/67/571171067.db2.gz UDNVRNVASRNTDN-KRWDZBQOSA-N 1 0 363.509 3.755 50 0 FHAARO Oc1cccc(C[N@@H+]2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072133586 571171489 /nfs/dbraw/zinc/17/14/89/571171489.db2.gz TZSHQAVPGIDKEL-STZQEDGTSA-N 1 0 370.443 3.733 50 0 FHAARO CC(C)C[C@@H](Nc1nc(-c2ccccn2)nc2c1CC[NH2+]C2)c1cccnc1 ZINC000072137333 571171636 /nfs/dbraw/zinc/17/16/36/571171636.db2.gz MTQOPJZYHAPGPY-LJQANCHMSA-N 1 0 374.492 3.779 50 0 FHAARO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(OC4CCCC4)cc3)C2)cc(=O)[nH]1 ZINC000072143450 571172246 /nfs/dbraw/zinc/17/22/46/571172246.db2.gz RQEOECWQEWIQGP-SFHVURJKSA-N 1 0 367.493 3.779 50 0 FHAARO Cc1cccc2[nH]c(C3CC[NH+](Cc4cnc(N(C)C)s4)CC3)nc21 ZINC000072145290 571173057 /nfs/dbraw/zinc/17/30/57/571173057.db2.gz NVKMABVZANQKHC-UHFFFAOYSA-N 1 0 355.511 3.773 50 0 FHAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2ccn(C(C)(C)C)c2)C1 ZINC000072145911 571173274 /nfs/dbraw/zinc/17/32/74/571173274.db2.gz NYIBRWZMKGMFFF-HXUWFJFHSA-N 1 0 368.525 3.765 50 0 FHAARO CC[NH+](CC)CCn1c(NC(=O)c2ccc(Cl)o2)nc2ccccc21 ZINC000012525172 571174257 /nfs/dbraw/zinc/17/42/57/571174257.db2.gz OGZQLCQZEDQROP-UHFFFAOYSA-N 1 0 360.845 3.877 50 0 FHAARO c1csc(C[N@H+]2CCCN(Cc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000072151207 571174234 /nfs/dbraw/zinc/17/42/34/571174234.db2.gz NEHKGKKPUUSQSF-UHFFFAOYSA-N 1 0 352.507 3.642 50 0 FHAARO CSc1nccc(N2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)n1 ZINC000072166387 571176709 /nfs/dbraw/zinc/17/67/09/571176709.db2.gz WTTLCZKXPIVASH-OAQYLSRUSA-N 1 0 368.550 3.734 50 0 FHAARO COc1c[nH]c(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)cc1=O ZINC000072169972 571177495 /nfs/dbraw/zinc/17/74/95/571177495.db2.gz QXAANWRJOHGFDC-AWEZNQCLSA-N 1 0 362.420 3.919 50 0 FHAARO C[NH+](C)[C@@H]1CCCN(C(=O)CCC(=O)c2cccc3ccccc32)CC1 ZINC000072174179 571177822 /nfs/dbraw/zinc/17/78/22/571177822.db2.gz YZIIUZKSVFUXCJ-GOSISDBHSA-N 1 0 352.478 3.745 50 0 FHAARO C[N@H+](CCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000229627146 571178077 /nfs/dbraw/zinc/17/80/77/571178077.db2.gz MWSPFSWORZCJRX-CVEARBPZSA-N 1 0 357.420 3.539 50 0 FHAARO CCCOc1c(Cl)cc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1OC ZINC000072303397 571178344 /nfs/dbraw/zinc/17/83/44/571178344.db2.gz HKHTWQAIOVUTNN-OAHLLOKOSA-N 1 0 368.905 3.694 50 0 FHAARO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2CCC3)cc1F ZINC000003422688 571182864 /nfs/dbraw/zinc/18/28/64/571182864.db2.gz XDEVPQBYWVQQSV-LJQANCHMSA-N 1 0 350.372 3.972 50 0 FHAARO O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C[NH+]1CCCC1 ZINC000040090882 571185661 /nfs/dbraw/zinc/18/56/61/571185661.db2.gz CKZZJOBNEPNJOS-CSKARUKUSA-N 1 0 350.418 3.663 50 0 FHAARO Cc1ccc(C)c(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000013005943 571188070 /nfs/dbraw/zinc/18/80/70/571188070.db2.gz LJWVBOZBMVEILK-GOSISDBHSA-N 1 0 356.466 3.619 50 0 FHAARO Cc1sc2cc(C(=O)NCc3ccncc3)[nH]c2c1C[NH+]1CCCCC1 ZINC000075487437 571189032 /nfs/dbraw/zinc/18/90/32/571189032.db2.gz JLGISCXIKANWAR-UHFFFAOYSA-N 1 0 368.506 3.849 50 0 FHAARO Fc1ccc(-c2n[nH]cc2CN2CC[NH2+][C@@H](c3ccccc3)C2)c(F)c1 ZINC000072410098 571191667 /nfs/dbraw/zinc/19/16/67/571191667.db2.gz BSBZHFNYBRYSKI-LJQANCHMSA-N 1 0 354.404 3.501 50 0 FHAARO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H](c4cc(F)ccc4F)C3)on2)cn1 ZINC000191675616 571192181 /nfs/dbraw/zinc/19/21/81/571192181.db2.gz OEBGKRYGQCLGNN-CYBMUJFWSA-N 1 0 358.392 3.733 50 0 FHAARO CCOc1ccc(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1-n1cccc1 ZINC000299762485 571193754 /nfs/dbraw/zinc/19/37/54/571193754.db2.gz XQRNBFYGODZKAD-SFHVURJKSA-N 1 0 370.497 3.824 50 0 FHAARO CC(C)(O)CCc1ccc(C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)cc1 ZINC000072428316 571194760 /nfs/dbraw/zinc/19/47/60/571194760.db2.gz XTAVYVUHCPRRNI-JOCHJYFZSA-N 1 0 368.521 3.731 50 0 FHAARO CCCNc1ncc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cn1 ZINC000072428199 571194779 /nfs/dbraw/zinc/19/47/79/571194779.db2.gz DSAABTQGWHBVRX-MRXNPFEDSA-N 1 0 350.470 3.554 50 0 FHAARO Cc1ccc(NC(=O)N2C[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)cn1 ZINC000299772631 571196255 /nfs/dbraw/zinc/19/62/55/571196255.db2.gz AOUKPQQICIPOHN-QUCCMNQESA-N 1 0 350.466 3.518 50 0 FHAARO COc1ccccc1-c1ncc(C[N@H+](C)[C@@H](C)Cc2cnccn2)s1 ZINC000299772688 571196272 /nfs/dbraw/zinc/19/62/72/571196272.db2.gz AYWWKTSCJHALAS-AWEZNQCLSA-N 1 0 354.479 3.672 50 0 FHAARO CC(C)(O)CCc1cccc(C(=O)NCC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000072435421 571196328 /nfs/dbraw/zinc/19/63/28/571196328.db2.gz JMCATDYIIPSSAN-PZJWPPBQSA-N 1 0 372.553 3.775 50 0 FHAARO COc1cccc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)c1 ZINC000299774772 571196787 /nfs/dbraw/zinc/19/67/87/571196787.db2.gz JCQUHKCJMJBUMZ-HBMCJLEFSA-N 1 0 350.462 3.537 50 0 FHAARO Cc1c(NC(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)cccc1N1CCCC1 ZINC000299776103 571196795 /nfs/dbraw/zinc/19/67/95/571196795.db2.gz NJNQKUGXRYQKDV-INIZCTEOSA-N 1 0 356.514 3.686 50 0 FHAARO O=C(Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000072439383 571196816 /nfs/dbraw/zinc/19/68/16/571196816.db2.gz WQPHAWBJWLTNBF-HXUWFJFHSA-N 1 0 372.472 3.562 50 0 FHAARO O=C(NCc1cc(F)ccc1F)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299777969 571196968 /nfs/dbraw/zinc/19/69/68/571196968.db2.gz IDWTYDGJZCJKGN-SXLOBPIMSA-N 1 0 356.416 3.807 50 0 FHAARO COc1ccc2c(c1)nc(C)cc2C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000299778281 571197382 /nfs/dbraw/zinc/19/73/82/571197382.db2.gz MIDBGTDLBASSRX-UHFFFAOYSA-N 1 0 367.493 3.642 50 0 FHAARO Cc1ccc(NC(=O)NCC[C@@H]2CCC[N@H+]2C)cc1NC(=O)C1CCCC1 ZINC000299782260 571198314 /nfs/dbraw/zinc/19/83/14/571198314.db2.gz GYRLBDOZVLYMBS-SFHVURJKSA-N 1 0 372.513 3.730 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc3c[nH]nc32)cc1 ZINC000299783067 571198585 /nfs/dbraw/zinc/19/85/85/571198585.db2.gz GQRXFHALCORMNS-LJQANCHMSA-N 1 0 363.465 3.994 50 0 FHAARO CN(C(=O)c1cccc(CCC(C)(C)O)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000072477526 571199292 /nfs/dbraw/zinc/19/92/92/571199292.db2.gz YEWCENCACHTXFR-UHFFFAOYSA-N 1 0 360.542 3.771 50 0 FHAARO Cc1ccc(C(=O)NCc2c(C)ccc3ncccc32)cc1OCCC[NH3+] ZINC000299799558 571202873 /nfs/dbraw/zinc/20/28/73/571202873.db2.gz SROYIDMOEFFSLR-UHFFFAOYSA-N 1 0 363.461 3.509 50 0 FHAARO Cc1ccc2[nH]c(C(=O)N3CCC[C@H]3c3ccc(C[NH+](C)C)cc3)nc2c1 ZINC000299801138 571203111 /nfs/dbraw/zinc/20/31/11/571203111.db2.gz UZVRFQRTHQXHMK-FQEVSTJZSA-N 1 0 362.477 3.910 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(-c3cnn4ccccc34)cc2)CC1 ZINC000534651691 571207412 /nfs/dbraw/zinc/20/74/12/571207412.db2.gz LWBVRFRWAOROAW-UHFFFAOYSA-N 1 0 362.477 3.604 50 0 FHAARO CC(=O)c1cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cs1 ZINC000077323636 571207891 /nfs/dbraw/zinc/20/78/91/571207891.db2.gz PAPBNTHMPJWCQQ-UHFFFAOYSA-N 1 0 370.518 3.731 50 0 FHAARO CC(C)=CCC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077344127 571208500 /nfs/dbraw/zinc/20/85/00/571208500.db2.gz FYHRMXXDYWTPQS-JOCHJYFZSA-N 1 0 355.526 3.685 50 0 FHAARO C[C@H](c1ccc(-c2ccc3c(c2)CN(C)C(=O)N3)cc1)[NH+]1CCOCC1 ZINC000534674630 571209012 /nfs/dbraw/zinc/20/90/12/571209012.db2.gz XNOJHUMVBJSJKT-OAHLLOKOSA-N 1 0 351.450 3.724 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2Cl)CC1)N1CCC(F)(F)CC1 ZINC000534675684 571209353 /nfs/dbraw/zinc/20/93/53/571209353.db2.gz WNXUIWWLWTYDNI-UHFFFAOYSA-N 1 0 371.859 3.745 50 0 FHAARO [NH3+]CCc1cccc(CN2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000077425217 571211184 /nfs/dbraw/zinc/21/11/84/571211184.db2.gz MGPYKAKRFDDYGI-FQEVSTJZSA-N 1 0 352.457 3.930 50 0 FHAARO COc1cc(C)sc1C(=O)N1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000077439480 571211683 /nfs/dbraw/zinc/21/16/83/571211683.db2.gz QQLCUURHXYTOTL-DLBZAZTESA-N 1 0 358.507 3.543 50 0 FHAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)c1 ZINC000077504000 571213711 /nfs/dbraw/zinc/21/37/11/571213711.db2.gz CWZLMXGFKUQHHM-CQSZACIVSA-N 1 0 353.422 3.676 50 0 FHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccncc2)cc1 ZINC000077537676 571214862 /nfs/dbraw/zinc/21/48/62/571214862.db2.gz PBMDIBREMRDTTM-NRFANRHFSA-N 1 0 351.494 3.830 50 0 FHAARO CCc1ccc2nc(C)cc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)c2c1 ZINC000077536547 571214871 /nfs/dbraw/zinc/21/48/71/571214871.db2.gz NRJGATQFGBOOKW-UHFFFAOYSA-N 1 0 373.500 3.894 50 0 FHAARO COc1ccc(Cl)cc1-c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000426360064 571215052 /nfs/dbraw/zinc/21/50/52/571215052.db2.gz ZRMTUOIPYNMTMS-QGZVFWFLSA-N 1 0 358.869 3.792 50 0 FHAARO CCCn1nccc1C(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077556026 571215423 /nfs/dbraw/zinc/21/54/23/571215423.db2.gz VPVZJVXRNNXOLN-LJQANCHMSA-N 1 0 354.498 3.722 50 0 FHAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(Cc2cccnc2)CC1 ZINC000426377848 571216786 /nfs/dbraw/zinc/21/67/86/571216786.db2.gz CGLDCGGHEPQMHP-FCHUYYIVSA-N 1 0 369.553 3.907 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nccn4C)C3)c(C)o2)cc1 ZINC000082083190 571227698 /nfs/dbraw/zinc/22/76/98/571227698.db2.gz ZXXCKAYQCFJZSV-QGZVFWFLSA-N 1 0 366.465 3.772 50 0 FHAARO CC(C)C[N@@H+]1CCCn2nc(CNc3ncccc3C(F)(F)F)cc2C1 ZINC000082109401 571228640 /nfs/dbraw/zinc/22/86/40/571228640.db2.gz IPYGBCSDWBLNPR-UHFFFAOYSA-N 1 0 367.419 3.771 50 0 FHAARO CCOc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)ccc1OC ZINC000082137230 571229087 /nfs/dbraw/zinc/22/90/87/571229087.db2.gz NJVDDIYMNTUNSF-QFIPXVFZSA-N 1 0 374.525 3.707 50 0 FHAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccco3)C2)CN1CCc1ccccc1 ZINC000082147373 571229225 /nfs/dbraw/zinc/22/92/25/571229225.db2.gz KEUJMPTVKGLNPC-JOCHJYFZSA-N 1 0 352.478 3.727 50 0 FHAARO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1ccc3[nH]ccc3c1)CC2 ZINC000426510877 571229269 /nfs/dbraw/zinc/22/92/69/571229269.db2.gz RACYJIXVZSPOHV-FQEVSTJZSA-N 1 0 359.473 3.806 50 0 FHAARO Cc1cccc2cc(C(=O)N(C)C[C@H]3Cc4ccccc4C[N@@H+]3C)n(C)c21 ZINC000082160696 571229507 /nfs/dbraw/zinc/22/95/07/571229507.db2.gz DHPNWKTYJNGTFM-HXUWFJFHSA-N 1 0 361.489 3.615 50 0 FHAARO CC(C)c1cc(CN(C)C(=O)c2ccc(-c3c[nH+]ccc3N)cc2)no1 ZINC000426530353 571230426 /nfs/dbraw/zinc/23/04/26/571230426.db2.gz CMWOVUNNFBROPC-UHFFFAOYSA-N 1 0 350.422 3.545 50 0 FHAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cnc(-c4cccc(C)c4)nc3)[C@H]2C1 ZINC000426544806 571230963 /nfs/dbraw/zinc/23/09/63/571230963.db2.gz NAAYKIQSZVUVIO-JAXLGGSGSA-N 1 0 367.493 3.610 50 0 FHAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)C1 ZINC000426582792 571232209 /nfs/dbraw/zinc/23/22/09/571232209.db2.gz INPNDPDTESAARW-INIZCTEOSA-N 1 0 363.383 3.544 50 0 FHAARO CC(=O)c1ccc(F)c(-c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2)c1 ZINC000426662568 571234620 /nfs/dbraw/zinc/23/46/20/571234620.db2.gz XURJNQYBDUQJDK-UHFFFAOYSA-N 1 0 368.452 3.862 50 0 FHAARO O=C(c1cccc(-c2cc(O)c(F)c(F)c2)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000426662358 571234644 /nfs/dbraw/zinc/23/46/44/571234644.db2.gz VFDZFHDVQMYFFB-NRFANRHFSA-N 1 0 372.415 3.553 50 0 FHAARO CC[N@@H+]1CCc2c3ccccc3[nH]c2[C@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000036056332 571239757 /nfs/dbraw/zinc/23/97/57/571239757.db2.gz PCWVASSHYFDVBB-TZIWHRDSSA-N 1 0 362.473 3.967 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccccn3)CC2)C1 ZINC000091486911 571240091 /nfs/dbraw/zinc/24/00/91/571240091.db2.gz JQIAAHRSDPRNGN-HXUWFJFHSA-N 1 0 363.505 3.813 50 0 FHAARO COc1ccc(F)c(F)c1C(=O)N1CCCC[C@@H]1CCn1ccnc1C ZINC000091526625 571240409 /nfs/dbraw/zinc/24/04/09/571240409.db2.gz AGKJFEQQTRRQDE-CQSZACIVSA-N 1 0 363.408 3.563 50 0 FHAARO CSc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)cc1 ZINC000091665681 571242066 /nfs/dbraw/zinc/24/20/66/571242066.db2.gz SJJGDPQUHURYPK-FUHWJXTLSA-N 1 0 359.564 3.961 50 0 FHAARO CC(C)CN1CC2(CC1=O)CC[NH+](Cc1ccc(OC(F)F)cc1)CC2 ZINC000091663667 571242076 /nfs/dbraw/zinc/24/20/76/571242076.db2.gz JGKIQTPPBINIRF-UHFFFAOYSA-N 1 0 366.452 3.759 50 0 FHAARO O=C(c1ccc([C@H]2CCCO2)s1)N1CCC(Oc2ccncc2)CC1 ZINC000091737696 571242880 /nfs/dbraw/zinc/24/28/80/571242880.db2.gz WEPPMNDXEAIWJH-MRXNPFEDSA-N 1 0 358.463 3.678 50 0 FHAARO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](Cc1ccncc1)CC2 ZINC000091725833 571243051 /nfs/dbraw/zinc/24/30/51/571243051.db2.gz OXIGAFAFTGQIFC-UHFFFAOYSA-N 1 0 363.505 3.529 50 0 FHAARO CN1CC2(CC[NH+](Cc3cccs3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091746969 571243434 /nfs/dbraw/zinc/24/34/34/571243434.db2.gz IFHFQJYLKAPUSW-IBGZPJMESA-N 1 0 354.519 3.976 50 0 FHAARO CCOc1ccc(CNC(=O)C2=CC[N@H+](Cc3cccc(C)c3)CC2)cc1 ZINC000064818039 571243788 /nfs/dbraw/zinc/24/37/88/571243788.db2.gz QIECCEMQKSQFMR-UHFFFAOYSA-N 1 0 364.489 3.842 50 0 FHAARO CCOc1ccc(CNC(=O)C2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000064817965 571243793 /nfs/dbraw/zinc/24/37/93/571243793.db2.gz HMAJYDLGWDMETQ-UHFFFAOYSA-N 1 0 350.462 3.534 50 0 FHAARO CCOc1cccc(CNC(=O)C2=CC[N@H+](Cc3cccc(C)c3)CC2)c1 ZINC000064818041 571243799 /nfs/dbraw/zinc/24/37/99/571243799.db2.gz NLFKDWGLUSOFME-UHFFFAOYSA-N 1 0 364.489 3.842 50 0 FHAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H](Cc1ccccc1)n1cccc1 ZINC000524731076 571258510 /nfs/dbraw/zinc/25/85/10/571258510.db2.gz JLUNZDCOZDJUJH-BHDDXSALSA-N 1 0 365.521 3.653 50 0 FHAARO O=C(NC1CCCCC1)C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000065523934 571264379 /nfs/dbraw/zinc/26/43/79/571264379.db2.gz BFZQPAVNYZXKKG-LJQANCHMSA-N 1 0 364.917 3.534 50 0 FHAARO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2n[nH]c3c2cccc3Cl)c1 ZINC000170593842 571266173 /nfs/dbraw/zinc/26/61/73/571266173.db2.gz QJSAGYPHURWALV-VXGBXAGGSA-N 1 0 372.856 3.903 50 0 FHAARO CC(=O)Nc1cc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1F ZINC000170598241 571266821 /nfs/dbraw/zinc/26/68/21/571266821.db2.gz LVOUUNUSAORPII-YJYMSZOUSA-N 1 0 372.444 3.597 50 0 FHAARO CCCCC[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000013322791 571270699 /nfs/dbraw/zinc/27/06/99/571270699.db2.gz NCHKKLNFMRDPMX-UHFFFAOYSA-N 1 0 354.292 3.789 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Br)o1 ZINC000014164574 571271631 /nfs/dbraw/zinc/27/16/31/571271631.db2.gz HARPPEALQHZDDN-UHFFFAOYSA-N 1 0 363.255 3.568 50 0 FHAARO CCOc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(F)cc2)cc1 ZINC000016852099 571273311 /nfs/dbraw/zinc/27/33/11/571273311.db2.gz CQUPXTNMZHFTLZ-QFIPXVFZSA-N 1 0 369.460 3.875 50 0 FHAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000237414727 571277237 /nfs/dbraw/zinc/27/72/37/571277237.db2.gz HOOBDFSUJDGDDA-RHSMWYFYSA-N 1 0 363.436 3.993 50 0 FHAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCCCc1ccc(Br)cc1 ZINC000237381947 571277241 /nfs/dbraw/zinc/27/72/41/571277241.db2.gz QHLABEBVDIVDPB-CZUORRHYSA-N 1 0 353.304 3.500 50 0 FHAARO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)Nc1cc(Cl)ccc1-n1cncn1 ZINC000007587819 571277809 /nfs/dbraw/zinc/27/78/09/571277809.db2.gz OVSPXCMOPYZHSQ-PBHICJAKSA-N 1 0 373.888 3.514 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1cccc(OC)c1)c1ccccc1 ZINC000014903563 571278595 /nfs/dbraw/zinc/27/85/95/571278595.db2.gz BBZHDGLPULHQLI-JLVIMGNISA-N 1 0 352.478 3.908 50 0 FHAARO CCN(C)c1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cn1 ZINC000252482017 571280159 /nfs/dbraw/zinc/28/01/59/571280159.db2.gz CWTYHERSWJFJRK-NRFANRHFSA-N 1 0 353.466 3.550 50 0 FHAARO CCN(C)c1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cn1 ZINC000252494777 571281045 /nfs/dbraw/zinc/28/10/45/571281045.db2.gz OEMYMPHCHAFFAV-OAQYLSRUSA-N 1 0 355.482 3.796 50 0 FHAARO COCCc1ccc(Oc2ccc(NC(=O)[C@](C)([NH3+])C3CC3)cc2)cc1 ZINC000170681279 571285107 /nfs/dbraw/zinc/28/51/07/571285107.db2.gz DRSJFVPATCJQEA-OAQYLSRUSA-N 1 0 354.450 3.734 50 0 FHAARO O=C1O[C@H](CC[NH+]2CCCCC2)OCC1(c1ccccc1)c1ccccc1 ZINC000019865964 571308198 /nfs/dbraw/zinc/30/81/98/571308198.db2.gz REVGCLKVCSZUFR-OAQYLSRUSA-N 1 0 365.473 3.748 50 0 FHAARO CC[NH+]1CCC(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)CC1 ZINC000584890062 571314377 /nfs/dbraw/zinc/31/43/77/571314377.db2.gz OWWKEAASKUYXPM-UHFFFAOYSA-N 1 0 371.481 3.996 50 0 FHAARO Cc1cc([C@H]2CCCN2C(=O)NC2CC[NH+](Cc3cccs3)CC2)no1 ZINC000584898966 571315889 /nfs/dbraw/zinc/31/58/89/571315889.db2.gz BDHUATFIMBETIF-GOSISDBHSA-N 1 0 374.510 3.556 50 0 FHAARO CCCc1nc2oc3c(ncnc3NCC[NH+](C)C)c2c2c1CCCC2 ZINC000002352940 571318972 /nfs/dbraw/zinc/31/89/72/571318972.db2.gz RDKZWGSDKLXNQE-UHFFFAOYSA-N 1 0 353.470 3.576 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000012984506 571322919 /nfs/dbraw/zinc/32/29/19/571322919.db2.gz ZRSSSISBNANAIM-LJQANCHMSA-N 1 0 357.429 3.793 50 0 FHAARO COc1ccc([C@H](CNC(=O)Nc2cccc(C)c2)[NH+]2CCCC2)cc1 ZINC000013002511 571323008 /nfs/dbraw/zinc/32/30/08/571323008.db2.gz IEBZREPNMAAYBO-FQEVSTJZSA-N 1 0 353.466 3.962 50 0 FHAARO Clc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cn1 ZINC000078623780 571323399 /nfs/dbraw/zinc/32/33/99/571323399.db2.gz SQXTYEZHWCNJMY-UHFFFAOYSA-N 1 0 369.646 3.559 50 0 FHAARO CC[NH+](CC)CCN(Cc1cccs1)c1nccc(C(F)(F)F)n1 ZINC000079098987 571326963 /nfs/dbraw/zinc/32/69/63/571326963.db2.gz IKDIUEKLTGFCBJ-UHFFFAOYSA-N 1 0 358.433 3.905 50 0 FHAARO COc1c2c(cc3c1[C@@H](n1c(C)cc4ccccc41)[N@H+](C)CC3)OCO2 ZINC000020111893 571327995 /nfs/dbraw/zinc/32/79/95/571327995.db2.gz QALWOCBAGFCWCP-OAQYLSRUSA-N 1 0 350.418 3.722 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575537 571331175 /nfs/dbraw/zinc/33/11/75/571331175.db2.gz IQWDJJDOKXCIGZ-HNNXBMFYSA-N 1 0 350.466 3.710 50 0 FHAARO Clc1ccc(-c2noc3ncnc(NCC[NH+]4CCCCC4)c32)cc1 ZINC000020575099 571331212 /nfs/dbraw/zinc/33/12/12/571331212.db2.gz ZTWHIDHMOHVGKJ-UHFFFAOYSA-N 1 0 357.845 3.836 50 0 FHAARO CCCC[N@H+](CC)CCCNC(=O)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575470 571331214 /nfs/dbraw/zinc/33/12/14/571331214.db2.gz FPYGCTCKGKIRDG-UHFFFAOYSA-N 1 0 352.482 3.958 50 0 FHAARO CCC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756574 571331673 /nfs/dbraw/zinc/33/16/73/571331673.db2.gz MCPXRMSANKDTNK-XZOQPEGZSA-N 1 0 369.505 3.799 50 0 FHAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020998820 571332171 /nfs/dbraw/zinc/33/21/71/571332171.db2.gz WATFVIOMNZUQER-HNNXBMFYSA-N 1 0 354.416 3.694 50 0 FHAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)/C=C\c2ccccc2F)CC1 ZINC000096401574 571335795 /nfs/dbraw/zinc/33/57/95/571335795.db2.gz KGVNMEPIFWKWKQ-QXMHVHEDSA-N 1 0 352.453 3.882 50 0 FHAARO CN(C)[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)Cc1ccccc1 ZINC000021841814 571336086 /nfs/dbraw/zinc/33/60/86/571336086.db2.gz HKESSPYKWDPYNX-SFHVURJKSA-N 1 0 374.912 3.764 50 0 FHAARO CC[NH+](CC)CCCNC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000002626501 571339446 /nfs/dbraw/zinc/33/94/46/571339446.db2.gz XWSKCZPEYSQZIC-UHFFFAOYSA-N 1 0 367.852 3.904 50 0 FHAARO O[C@@H](COCc1ccccc1F)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002674987 571340395 /nfs/dbraw/zinc/34/03/95/571340395.db2.gz NGHJLQJMRCYSPO-OAQYLSRUSA-N 1 0 357.469 3.658 50 0 FHAARO COCCN(C(=S)Nc1cccc(Cl)c1)C1CC[NH+](C(C)C)CC1 ZINC000002933478 571341901 /nfs/dbraw/zinc/34/19/01/571341901.db2.gz SPFNLONMHIZFLY-UHFFFAOYSA-N 1 0 369.962 3.858 50 0 FHAARO COc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCC3)cc1 ZINC000002966413 571343054 /nfs/dbraw/zinc/34/30/54/571343054.db2.gz SOJSJZGUXBEXFU-FQEVSTJZSA-N 1 0 357.861 3.609 50 0 FHAARO COc1ccccc1-c1c(C)nn2c1nc(C)cc2NCC[NH+]1CCCC1 ZINC000003063582 571344552 /nfs/dbraw/zinc/34/45/52/571344552.db2.gz DCTMFPLSTADYCP-UHFFFAOYSA-N 1 0 365.481 3.529 50 0 FHAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(Cl)cc1 ZINC000057876961 571345811 /nfs/dbraw/zinc/34/58/11/571345811.db2.gz ASBVSTNMUSDXPK-ZDUSSCGKSA-N 1 0 371.868 3.522 50 0 FHAARO CC[NH+](CC)CCCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000003315873 571347214 /nfs/dbraw/zinc/34/72/14/571347214.db2.gz WGXUSATWSLCSTK-UHFFFAOYSA-N 1 0 370.522 3.857 50 0 FHAARO CC(=O)c1ccc(NC(=S)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000003330113 571347517 /nfs/dbraw/zinc/34/75/17/571347517.db2.gz HSQLSPXKFVHSIA-QGZVFWFLSA-N 1 0 357.479 3.606 50 0 FHAARO COc1ccccc1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000058248561 571349907 /nfs/dbraw/zinc/34/99/07/571349907.db2.gz MZTBDRGYUBGULW-UHFFFAOYSA-N 1 0 372.896 3.672 50 0 FHAARO CSc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)cc1 ZINC000670448486 571351596 /nfs/dbraw/zinc/35/15/96/571351596.db2.gz PYJQNGPJQQDKQQ-GOSISDBHSA-N 1 0 354.519 3.936 50 0 FHAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)COc2ccccc2Cl)C1 ZINC000670460376 571356575 /nfs/dbraw/zinc/35/65/75/571356575.db2.gz AHRHKMHIQSUZLX-QGZVFWFLSA-N 1 0 372.896 3.633 50 0 FHAARO CC[NH+](CC)CC(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2 ZINC000022341319 931423295 /nfs/dbraw/zinc/42/32/95/931423295.db2.gz JOEVKHOCGWKWJM-UHFFFAOYSA-N 1 0 365.477 3.750 50 0 FHAARO CC[C@@H]1CCCN(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000117396391 931796488 /nfs/dbraw/zinc/79/64/88/931796488.db2.gz DKOXKINMZMURSN-GOSISDBHSA-N 1 0 358.530 3.873 50 0 FHAARO CN(Cc1cc2ccccc2o1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176009816 932317415 /nfs/dbraw/zinc/31/74/15/932317415.db2.gz BOJYAJNTGCFIGR-UHFFFAOYSA-N 1 0 355.482 3.981 50 0 FHAARO CC[N@H+](C/C=C\c1ccccc1OC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000255422458 934578523 /nfs/dbraw/zinc/57/85/23/934578523.db2.gz IATJYMBIFHSBFQ-NTMALXAHSA-N 1 0 352.478 3.932 50 0 FHAARO c1ccc(-c2noc(CN3CCC[C@@H]([N@@H+]4CCc5ccccc5C4)C3)n2)cc1 ZINC000022919839 935579713 /nfs/dbraw/zinc/57/97/13/935579713.db2.gz AIROUBBFRPFHTK-OAQYLSRUSA-N 1 0 374.488 3.759 50 0 FHAARO COc1cccc2c1CCC[C@H]2[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000194843373 939947734 /nfs/dbraw/zinc/94/77/34/939947734.db2.gz YBQCZMZABGOPFK-GOSISDBHSA-N 1 0 354.450 3.560 50 0 FHAARO CC[C@@H]([NH2+]C1CCN(c2cc(C)nc(C)n2)CC1)c1ccc2c(c1)CCO2 ZINC000162252437 940119652 /nfs/dbraw/zinc/11/96/52/940119652.db2.gz GLNZEPKBOHRPKF-HXUWFJFHSA-N 1 0 366.509 3.738 50 0 FHAARO CCn1c2ccccc2nc1CN1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000023310491 940153177 /nfs/dbraw/zinc/15/31/77/940153177.db2.gz QTOCWKVSWMJYCI-JOCHJYFZSA-N 1 0 352.526 3.754 50 0 FHAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC000581806907 940614070 /nfs/dbraw/zinc/61/40/70/940614070.db2.gz CVSMMNDPTCVUTJ-MRXNPFEDSA-N 1 0 371.456 3.526 50 0 FHAARO COc1ccc(CCC(=O)N2CC[C@@H](Cn3c(C)c[nH+]c3C3CC3)C2)cc1 ZINC000581814040 940614301 /nfs/dbraw/zinc/61/43/01/940614301.db2.gz PTXHFGWXICGLFA-GOSISDBHSA-N 1 0 367.493 3.559 50 0 FHAARO Cc1cccc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000248898599 940821739 /nfs/dbraw/zinc/82/17/39/940821739.db2.gz UFHDCQIFILZPFA-IGOJGBNBSA-N 1 0 352.482 3.668 50 0 FHAARO CC1(C)C[C@H](C[N@@H+]2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)CCO1 ZINC000019641570 941834973 /nfs/dbraw/zinc/83/49/73/941834973.db2.gz WMEGHEHCRHUDKF-CYBMUJFWSA-N 1 0 361.436 3.918 50 0 FHAARO c1[nH]nc(C2CCCCC2)c1C[NH2+][C@@H]1CCCN(Cc2ccccn2)C1 ZINC000020351317 941882669 /nfs/dbraw/zinc/88/26/69/941882669.db2.gz HKOAKDSWIBBFMH-HXUWFJFHSA-N 1 0 353.514 3.607 50 0 FHAARO Cc1cnc(-c2cccnc2)n1[C@@H]1CCC[N@H+](Cc2scnc2C)C1 ZINC000257195074 942681729 /nfs/dbraw/zinc/68/17/29/942681729.db2.gz VIDGCKBYNOGZFU-QGZVFWFLSA-N 1 0 353.495 3.856 50 0 FHAARO c1c(COCc2ccccc2)nnn1[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000675012275 943609767 /nfs/dbraw/zinc/60/97/67/943609767.db2.gz YORKHMAWXLDFNM-OAQYLSRUSA-N 1 0 354.498 3.822 50 0 FHAARO CCn1cc(C[N@@H+]2CCC[C@@H]2CCc2noc(-c3ccccc3)n2)cn1 ZINC000675019442 943628693 /nfs/dbraw/zinc/62/86/93/943628693.db2.gz GQISWPMMWMOVAG-GOSISDBHSA-N 1 0 351.454 3.550 50 0 FHAARO Cc1ccc(C[NH+]2CCC(CCc3noc(C4CCOCC4)n3)CC2)nc1 ZINC000675025679 943650687 /nfs/dbraw/zinc/65/06/87/943650687.db2.gz ZGQHBVGZAJCAPC-UHFFFAOYSA-N 1 0 370.497 3.512 50 0 FHAARO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)CC2)oc1C ZINC000162785622 944876951 /nfs/dbraw/zinc/87/69/51/944876951.db2.gz MTXNYANHADCFNM-OAHLLOKOSA-N 1 0 371.481 3.583 50 0 FHAARO COc1cc(OC)c(C[N@H+]2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)cc1Cl ZINC000426503151 945003414 /nfs/dbraw/zinc/00/34/14/945003414.db2.gz WQCJAUSMUGFMGH-MDASCCDHSA-N 1 0 369.889 3.516 50 0 FHAARO Cc1ccccc1CN1CC[N@@H+](C2C3CC4CC(C3)CC2C4)C[C@H]1CCO ZINC000104376535 945824421 /nfs/dbraw/zinc/82/44/21/945824421.db2.gz YNPXYOHUDMRUFW-CJBCXUHHSA-N 1 0 368.565 3.688 50 0 FHAARO CC[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)C(C)C ZINC000241969505 209896722 /nfs/dbraw/zinc/89/67/22/209896722.db2.gz UWTJNLBDJUKJNA-ZACQAIPSSA-N 1 0 356.432 3.848 50 0 FHAARO CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000027975809 209787628 /nfs/dbraw/zinc/78/76/28/209787628.db2.gz PIKWYNLOONJVDO-LJQANCHMSA-N 1 0 358.526 3.758 50 0 FHAARO C[NH+](C)CCN(C(=O)CSc1ccccc1)c1nc2ccccc2s1 ZINC000004585249 209422499 /nfs/dbraw/zinc/42/24/99/209422499.db2.gz LRYONSMSPXXMIE-UHFFFAOYSA-N 1 0 371.531 3.983 50 0 FHAARO Cc1noc(C)c1C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000237619624 209351851 /nfs/dbraw/zinc/35/18/51/209351851.db2.gz HDVJKLKBXABRFR-AWEZNQCLSA-N 1 0 364.287 3.670 50 0 FHAARO Cc1nn(C)cc1[C@H](C)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000237542128 209351063 /nfs/dbraw/zinc/35/10/63/209351063.db2.gz NXEJZPOLJZDQAF-NSHDSACASA-N 1 0 362.271 3.618 50 0 FHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000237465646 209349694 /nfs/dbraw/zinc/34/96/94/209349694.db2.gz NNGCATFMZOQFFS-WCQYABFASA-N 1 0 373.722 3.621 50 0 FHAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000237411063 209346816 /nfs/dbraw/zinc/34/68/16/209346816.db2.gz NNGCATFMZOQFFS-AAEUAGOBSA-N 1 0 373.722 3.621 50 0 FHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000237355464 209346626 /nfs/dbraw/zinc/34/66/26/209346626.db2.gz GNAZAAOYEFZXBB-ZBFHGGJFSA-N 1 0 370.880 3.770 50 0 FHAARO C[NH+](C)CCOc1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000048365191 209331854 /nfs/dbraw/zinc/33/18/54/209331854.db2.gz IFFRLKNJQIUBKC-UHFFFAOYSA-N 1 0 367.276 3.864 50 0 FHAARO COc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1Br ZINC000113398977 209336177 /nfs/dbraw/zinc/33/61/77/209336177.db2.gz FPTVTQYDMNOULJ-UHFFFAOYSA-N 1 0 360.255 3.666 50 0 FHAARO C[C@@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000049581179 209336254 /nfs/dbraw/zinc/33/62/54/209336254.db2.gz MTSNIBHZAGONAZ-MRXNPFEDSA-N 1 0 354.469 3.714 50 0 FHAARO COc1cc(C[NH2+]CCOc2ccccn2)ccc1OCc1ccccc1 ZINC000113396128 209335190 /nfs/dbraw/zinc/33/51/90/209335190.db2.gz MWGPXSIZQREQJJ-UHFFFAOYSA-N 1 0 364.445 3.838 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2F)cc1 ZINC000048340891 209330549 /nfs/dbraw/zinc/33/05/49/209330549.db2.gz FMWRXQTZBPELDH-OAHLLOKOSA-N 1 0 364.486 3.707 50 0 FHAARO COc1ccccc1OCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000046934246 209329295 /nfs/dbraw/zinc/32/92/95/209329295.db2.gz NUYDWTNOEDLVJG-QGZVFWFLSA-N 1 0 368.477 3.945 50 0 FHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(F)cc2Br)C1 ZINC000047416750 209328509 /nfs/dbraw/zinc/32/85/09/209328509.db2.gz VFHXSIRHPMZCBX-STQMWFEESA-N 1 0 371.294 3.686 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1cccs1 ZINC000044103185 209313810 /nfs/dbraw/zinc/31/38/10/209313810.db2.gz HKOJPQTYSUIAEO-INIZCTEOSA-N 1 0 372.494 3.521 50 0 FHAARO COc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1OCC(=O)N1CCCC1 ZINC000107326531 209276012 /nfs/dbraw/zinc/27/60/12/209276012.db2.gz XLTHLDILRPMXCA-ZIFCJYIRSA-N 1 0 374.525 3.611 50 0 FHAARO Cc1nccn1CC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000106963905 209274316 /nfs/dbraw/zinc/27/43/16/209274316.db2.gz WKLOKGGELGBBDD-OAQYLSRUSA-N 1 0 358.505 3.563 50 0 FHAARO CC[NH+](CC)CCOC(=O)c1ccc(N2Cc3ccccc3C2=N)cc1 ZINC000102129205 209232662 /nfs/dbraw/zinc/23/26/62/209232662.db2.gz BVXGPWOYJYTHKS-UHFFFAOYSA-N 1 0 351.450 3.531 50 0 FHAARO Clc1cccc2ccc(CN3CCCO[C@@H](C[NH+]4CCCC4)C3)nc12 ZINC000097759463 209197275 /nfs/dbraw/zinc/19/72/75/209197275.db2.gz IGWKRQHNKHAHLP-SFHVURJKSA-N 1 0 359.901 3.575 50 0 FHAARO CCOc1ncccc1CNC(=O)c1ccc([C@H](C)[NH+]2CCCCC2)o1 ZINC000097785328 209196750 /nfs/dbraw/zinc/19/67/50/209196750.db2.gz SFHFAZIHFFVZMW-HNNXBMFYSA-N 1 0 357.454 3.550 50 0 FHAARO CC[NH+]1CCC(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)CC1 ZINC000097698849 209192714 /nfs/dbraw/zinc/19/27/14/209192714.db2.gz YLWWXRAYLSZQOJ-NRFANRHFSA-N 1 0 351.494 3.636 50 0 FHAARO COCCN(Cc1cccc2ccccc21)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000097642488 209190751 /nfs/dbraw/zinc/19/07/51/209190751.db2.gz WUVIDXLHQLAMME-NRFANRHFSA-N 1 0 354.494 3.689 50 0 FHAARO c1csc(C[N@@H+]2CCC[C@H](Nc3nccc(-c4ccncc4)n3)C2)c1 ZINC000097619611 209190314 /nfs/dbraw/zinc/19/03/14/209190314.db2.gz GNVPYIAVPAORLU-INIZCTEOSA-N 1 0 351.479 3.677 50 0 FHAARO COc1cccc(Oc2ccc(NC(=O)N3CCCC[C@H]3C[NH3+])cc2)c1 ZINC000097323847 209178803 /nfs/dbraw/zinc/17/88/03/209178803.db2.gz YTSDXXBHVVPFFG-INIZCTEOSA-N 1 0 355.438 3.833 50 0 FHAARO COc1ccc(CN(C)C(=O)c2ccc(C[NH+](C)C)cc2)c2cccnc12 ZINC000097087880 209169563 /nfs/dbraw/zinc/16/95/63/209169563.db2.gz FNJYWFMHCVAZKL-UHFFFAOYSA-N 1 0 363.461 3.577 50 0 FHAARO C/C=C\c1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc(OC)c1OC ZINC000096926277 209162540 /nfs/dbraw/zinc/16/25/40/209162540.db2.gz UUNACNZBLQCZET-FUKWUPMWSA-N 1 0 368.477 3.770 50 0 FHAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1cnccn1 ZINC000013015384 220054409 /nfs/dbraw/zinc/05/44/09/220054409.db2.gz LSRROYYZDNXWKL-UHFFFAOYSA-N 1 0 372.472 3.669 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1OCc1ccccc1 ZINC000096161463 209127848 /nfs/dbraw/zinc/12/78/48/209127848.db2.gz FXPBZQZYOIVTGJ-GOSISDBHSA-N 1 0 353.466 3.871 50 0 FHAARO Cc1ccc(CCNC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)s1 ZINC000096160982 209127697 /nfs/dbraw/zinc/12/76/97/209127697.db2.gz YGNLEGHXXPRCJH-UHFFFAOYSA-N 1 0 373.522 3.894 50 0 FHAARO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cccnc3Oc3ccc(F)cc3)C2)C1 ZINC000096152046 209124471 /nfs/dbraw/zinc/12/44/71/209124471.db2.gz NOJUZTQHYWILRB-FQEVSTJZSA-N 1 0 370.428 3.573 50 0 FHAARO COCC[NH+]1CCC(CN(C)C(=O)Nc2ccc(C)c(C(C)C)c2)CC1 ZINC000096149484 209123843 /nfs/dbraw/zinc/12/38/43/209123843.db2.gz MDJQZQFTTVTTJS-UHFFFAOYSA-N 1 0 361.530 3.941 50 0 FHAARO Cc1cccc(Cn2nc(CC3CC[NH+](C)CC3)nc2[C@@H]2CCCCO2)c1 ZINC000096139558 209120013 /nfs/dbraw/zinc/12/00/13/209120013.db2.gz OZCPPDVFFWULPS-FQEVSTJZSA-N 1 0 368.525 3.761 50 0 FHAARO Cc1ncsc1-c1nc(Cc2cccs2)nn1C1CC[NH+](C)CC1 ZINC000096136456 209119283 /nfs/dbraw/zinc/11/92/83/209119283.db2.gz CJWMVNPLZCYNCR-UHFFFAOYSA-N 1 0 359.524 3.629 50 0 FHAARO Cc1nc2ccc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2nc1C ZINC000096139053 209121177 /nfs/dbraw/zinc/12/11/77/209121177.db2.gz FOJFXAOLZYVMIK-KRWDZBQOSA-N 1 0 369.494 3.733 50 0 FHAARO COc1ccc([C@@H]([NH3+])Cc2nc(C3CC3)nn2C2CCCCC2)cc1OC ZINC000096138339 209118438 /nfs/dbraw/zinc/11/84/38/209118438.db2.gz IIISZFVHJLHQNN-KRWDZBQOSA-N 1 0 370.497 3.920 50 0 FHAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000299786672 206650544 /nfs/dbraw/zinc/65/05/44/206650544.db2.gz NZGFHERHNABIOW-GOSISDBHSA-N 1 0 358.869 3.875 50 0 FHAARO CC1(C)C[C@@](c2ccccc2)([C@@H](CO)C[NH2+]Cc2ccccc2)CCO1 ZINC000000755051 206829219 /nfs/dbraw/zinc/82/92/19/206829219.db2.gz VYAMDNWUSLNDGW-GGAORHGYSA-N 1 0 353.506 3.912 50 0 FHAARO CCc1ccc([C@@]2(O)C[N+](c3ccccc3OC)=C3CCCCN32)cc1 ZINC000002966224 206948393 /nfs/dbraw/zinc/94/83/93/206948393.db2.gz JQNONFBIMJBOPM-QFIPXVFZSA-N 1 0 351.470 3.518 50 0 FHAARO O[C@@]1(c2ccc(Br)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 ZINC000002966148 206948767 /nfs/dbraw/zinc/94/87/67/206948767.db2.gz HHAFHWTVFOUYQC-LJQANCHMSA-N 1 0 372.286 3.709 50 0 FHAARO C[C@@H]1C(c2cccs2)[N+](=O)[C@](C)(c2ccc(Br)cc2)N1O ZINC000004426791 207019494 /nfs/dbraw/zinc/01/94/94/207019494.db2.gz NLJREFMPITYUBU-MEBBXXQBSA-N 1 0 367.268 3.776 50 0 FHAARO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1O ZINC000004556438 207027796 /nfs/dbraw/zinc/02/77/96/207027796.db2.gz DNUGRCTXVFHBQZ-QGZVFWFLSA-N 1 0 373.478 3.658 50 0 FHAARO CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004570736 207029104 /nfs/dbraw/zinc/02/91/04/207029104.db2.gz KVBMEWKZWFPYCH-UHFFFAOYSA-N 1 0 352.906 3.923 50 0 FHAARO CCOc1cc(CNc2[nH+]cc(-c3ccc4c(c3)OCO4)n2C)ccc1O ZINC000004678617 207036395 /nfs/dbraw/zinc/03/63/95/207036395.db2.gz JSKSUXGAGBZDNQ-UHFFFAOYSA-N 1 0 367.405 3.532 50 0 FHAARO COc1cc(/C=C2/[C@H](O)C3CC[NH+]2CC3)ccc1OCc1ccccc1 ZINC000004833865 207053325 /nfs/dbraw/zinc/05/33/25/207053325.db2.gz WEKGVEPFFMHLPC-DUBROFONSA-N 1 0 351.446 3.702 50 0 FHAARO COc1cc(/C=C2/[C@@H](O)C3CC[NH+]2CC3)ccc1OCc1ccccc1 ZINC000004833866 207053415 /nfs/dbraw/zinc/05/34/15/207053415.db2.gz WEKGVEPFFMHLPC-QUYTYNJFSA-N 1 0 351.446 3.702 50 0 FHAARO Cc1cc(O[C@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Cl ZINC000004842731 207054659 /nfs/dbraw/zinc/05/46/59/207054659.db2.gz CTXXZRBMAIODCQ-CYBMUJFWSA-N 1 0 352.906 3.841 50 0 FHAARO C[NH+](C)CCNC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc21 ZINC000005048595 207075843 /nfs/dbraw/zinc/07/58/43/207075843.db2.gz UQQBLRWWPQNVGV-UHFFFAOYSA-N 1 0 353.853 3.847 50 0 FHAARO CCCCc1nc2sc3c(ncnc3NCCC[NH3+])c2c2c1CCC2 ZINC000005422522 207099647 /nfs/dbraw/zinc/09/96/47/207099647.db2.gz XLIJQRFJJHEZJX-UHFFFAOYSA-N 1 0 355.511 3.832 50 0 FHAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1O ZINC000006654904 207151989 /nfs/dbraw/zinc/15/19/89/207151989.db2.gz BZYPFOJGBZDNAZ-KRWDZBQOSA-N 1 0 373.478 3.659 50 0 FHAARO CC1(C)CC(NS(=O)(=O)c2ccc(Cl)cc2Cl)CC(C)(C)[NH2+]1 ZINC000006743522 207159826 /nfs/dbraw/zinc/15/98/26/207159826.db2.gz CKTNYFJVTRGNOP-UHFFFAOYSA-N 1 0 365.326 3.581 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000006780468 207163681 /nfs/dbraw/zinc/16/36/81/207163681.db2.gz LGKZUZPDUNSJNQ-UHFFFAOYSA-N 1 0 370.522 3.775 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000006881871 207175171 /nfs/dbraw/zinc/17/51/71/207175171.db2.gz ASCRJOBFBPUMGA-FQEVSTJZSA-N 1 0 374.488 3.753 50 0 FHAARO CCC[C@@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+](C)C)c1ccccc1 ZINC000006934675 207178720 /nfs/dbraw/zinc/17/87/20/207178720.db2.gz BNSDOIQSEDKUGI-RTWAWAEBSA-N 1 0 354.494 3.998 50 0 FHAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NCCc1c[nH]c2ccccc12 ZINC000007443332 207195332 /nfs/dbraw/zinc/19/53/32/207195332.db2.gz DQMHPUYEBJPPDQ-SFHVURJKSA-N 1 0 353.491 3.725 50 0 FHAARO COc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(C)c2)c(OC)c1 ZINC000007719561 207203502 /nfs/dbraw/zinc/20/35/02/207203502.db2.gz NJDNHXVYVOARHL-LJQANCHMSA-N 1 0 354.450 3.788 50 0 FHAARO COCCn1c(C)cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1C ZINC000007779656 207206373 /nfs/dbraw/zinc/20/63/73/207206373.db2.gz HQVMJHXMAZZUGR-UHFFFAOYSA-N 1 0 355.526 3.506 50 0 FHAARO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)c(OC)c1 ZINC000008072766 207219022 /nfs/dbraw/zinc/21/90/22/207219022.db2.gz IWSGMTXDSRTZTL-LJQANCHMSA-N 1 0 354.450 3.652 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000008917212 207250714 /nfs/dbraw/zinc/25/07/14/207250714.db2.gz WEVXFLBMPVUREB-HXUWFJFHSA-N 1 0 356.441 3.791 50 0 FHAARO Clc1nc2nc[nH]c2c(NCCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000009419264 207269093 /nfs/dbraw/zinc/26/90/93/207269093.db2.gz NOMJTFKDTMOYCC-UHFFFAOYSA-N 1 0 370.888 3.721 50 0 FHAARO O=C(NCCc1nc2ccccc2[nH]1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000009338270 207267542 /nfs/dbraw/zinc/26/75/42/207267542.db2.gz COMORWUNHVZBNS-UHFFFAOYSA-N 1 0 362.477 3.521 50 0 FHAARO COc1cc(C[NH2+]CCc2c(C)[nH]c3ccccc32)cc(OC)c1OC ZINC000036657726 207285101 /nfs/dbraw/zinc/28/51/01/207285101.db2.gz UAHVPDLDGKDQNZ-UHFFFAOYSA-N 1 0 354.450 3.834 50 0 FHAARO COc1ccc(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010329999 207299340 /nfs/dbraw/zinc/29/93/40/207299340.db2.gz VVPMAOYEBITOHB-UHFFFAOYSA-N 1 0 352.478 3.654 50 0 FHAARO C[C@@H](C[NH2+]CCCSc1nnnn1-c1ccccc1)c1ccccc1 ZINC000010475430 207301791 /nfs/dbraw/zinc/30/17/91/207301791.db2.gz GDWSMCIVDGJYLB-INIZCTEOSA-N 1 0 353.495 3.538 50 0 FHAARO CN1CCC[C@]2(CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C2)C1=O ZINC000011712141 207319483 /nfs/dbraw/zinc/31/94/83/207319483.db2.gz MVCPOLGPONLUMJ-HSZRJFAPSA-N 1 0 364.489 3.710 50 0 FHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000011715963 207319821 /nfs/dbraw/zinc/31/98/21/207319821.db2.gz WCRAVESHLOIEID-KRWDZBQOSA-N 1 0 370.493 3.621 50 0 FHAARO CN1CCC([NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000011839453 207322920 /nfs/dbraw/zinc/32/29/20/207322920.db2.gz WNXMXVRRZGNQOW-IBGZPJMESA-N 1 0 356.489 3.709 50 0 FHAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccsc4)C3)C2)c1 ZINC000011933120 207329548 /nfs/dbraw/zinc/32/95/48/207329548.db2.gz VNDPKSSBCCSSSH-OAQYLSRUSA-N 1 0 370.518 3.885 50 0 FHAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)[C@H]2CCOC2)c1 ZINC000011934491 207330715 /nfs/dbraw/zinc/33/07/15/207330715.db2.gz FNJORJHFSIEINO-FQEVSTJZSA-N 1 0 363.461 3.769 50 0 FHAARO O=C(Nc1ccnn1C1CC[NH+](C/C=C/c2ccccc2)CC1)C1CC1 ZINC000011934001 207331022 /nfs/dbraw/zinc/33/10/22/207331022.db2.gz RTEWQNDDBMXDHN-QPJJXVBHSA-N 1 0 350.466 3.582 50 0 FHAARO c1cn(CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c2ccccc12 ZINC000011936230 207331238 /nfs/dbraw/zinc/33/12/38/207331238.db2.gz WYZBNBVUTXHZAX-UHFFFAOYSA-N 1 0 360.417 3.550 50 0 FHAARO CC[NH+]1CCC(N[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)CC1 ZINC000011954926 207333121 /nfs/dbraw/zinc/33/31/21/207333121.db2.gz QWEHUNASIKJGFG-FQEVSTJZSA-N 1 0 352.526 3.940 50 0 FHAARO COc1ccc(C[NH2+]Cc2cc3ccc(C)cc3nc2N(C)C)cc1OC ZINC000011981452 207333441 /nfs/dbraw/zinc/33/34/41/207333441.db2.gz SJSPXYBZUUCUOE-UHFFFAOYSA-N 1 0 365.477 3.916 50 0 FHAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1)NC1CC1 ZINC000011998085 207333525 /nfs/dbraw/zinc/33/35/25/207333525.db2.gz RVZBAQFXXMBRLS-AWEZNQCLSA-N 1 0 352.425 3.559 50 0 FHAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)NC1CC1 ZINC000012024977 207334570 /nfs/dbraw/zinc/33/45/70/207334570.db2.gz OVKRQBDOTHZAEM-CQSZACIVSA-N 1 0 354.416 3.976 50 0 FHAARO Cc1ccc2cc(C[NH+]3CCC(C)CC3)c(=O)n(Cc3ccccn3)c2c1 ZINC000012023720 207334703 /nfs/dbraw/zinc/33/47/03/207334703.db2.gz HACQMWWBNLHSAT-UHFFFAOYSA-N 1 0 361.489 3.985 50 0 FHAARO CC[NH+]1CCC(N[C@H](C)c2cnc(N3CCCCCCC3)nc2C)CC1 ZINC000011844558 207325430 /nfs/dbraw/zinc/32/54/30/207325430.db2.gz BXKDUIMUFCJLBQ-QGZVFWFLSA-N 1 0 359.562 3.690 50 0 FHAARO C[C@H](O)C[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000011842417 207326154 /nfs/dbraw/zinc/32/61/54/207326154.db2.gz RTVYLALDENDMHX-ZDUSSCGKSA-N 1 0 359.832 3.802 50 0 FHAARO O[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[C@H]1[NH+]1CCCCCC1 ZINC000011878702 207327019 /nfs/dbraw/zinc/32/70/19/207327019.db2.gz ZDHUSVBZAHCRPV-WOJBJXKFSA-N 1 0 371.550 3.621 50 0 FHAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)COc2ccccc2Cl)C1 ZINC000012193766 207346611 /nfs/dbraw/zinc/34/66/11/207346611.db2.gz NQHFNHYUVJAWSF-SFHVURJKSA-N 1 0 372.896 3.842 50 0 FHAARO FC(F)(F)CCC[N@@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000012191787 207346876 /nfs/dbraw/zinc/34/68/76/207346876.db2.gz GXILTSNGYPGNEU-UHFFFAOYSA-N 1 0 354.328 3.771 50 0 FHAARO CCN1C[C@@H](C[N@H+](C)Cc2nc(-c3cccc(Cl)c3)oc2C)CC1=O ZINC000012090533 207336353 /nfs/dbraw/zinc/33/63/53/207336353.db2.gz IWIQJQLWUOXGOG-CQSZACIVSA-N 1 0 361.873 3.604 50 0 FHAARO O=C1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)CCN1Cc1ccncc1 ZINC000012152840 207343352 /nfs/dbraw/zinc/34/33/52/207343352.db2.gz JWQJUTXWOZZFTA-UHFFFAOYSA-N 1 0 371.484 3.983 50 0 FHAARO CC(C)/C=C/C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000012304708 207359216 /nfs/dbraw/zinc/35/92/16/207359216.db2.gz LVOIIZVBEHRDRG-YZTRRJNXSA-N 1 0 352.482 3.939 50 0 FHAARO CC[N@@H+](Cc1ccncc1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012308241 207359727 /nfs/dbraw/zinc/35/97/27/207359727.db2.gz SCNLWBCBVLKTOB-NRFANRHFSA-N 1 0 355.501 3.997 50 0 FHAARO O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000012441148 207378434 /nfs/dbraw/zinc/37/84/34/207378434.db2.gz CJJBFMZZQVHZSG-QGZVFWFLSA-N 1 0 353.466 3.796 50 0 FHAARO O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000012441150 207379179 /nfs/dbraw/zinc/37/91/79/207379179.db2.gz CJJBFMZZQVHZSG-KRWDZBQOSA-N 1 0 353.466 3.796 50 0 FHAARO O=C(Nc1ccnn1C1CC[NH+](CC2CCCCC2)CC1)c1cccnc1 ZINC000012466141 207381158 /nfs/dbraw/zinc/38/11/58/207381158.db2.gz GLTMNUKOKOKULT-UHFFFAOYSA-N 1 0 367.497 3.748 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)c(OC)c1 ZINC000012476595 207382749 /nfs/dbraw/zinc/38/27/49/207382749.db2.gz XWTIAWGJSMPMQN-HSZRJFAPSA-N 1 0 369.505 3.911 50 0 FHAARO CCc1ncc(C[NH2+][C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)cn1 ZINC000012476494 207383193 /nfs/dbraw/zinc/38/31/93/207383193.db2.gz SYICIBPWLNYRHZ-INIZCTEOSA-N 1 0 353.514 3.930 50 0 FHAARO COc1ccccc1NC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000012564645 207394067 /nfs/dbraw/zinc/39/40/67/207394067.db2.gz PWGMBDRLVPODKF-VQIMIIECSA-N 1 0 351.450 3.843 50 0 FHAARO CC[N@H+](CCO)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000012577691 207396848 /nfs/dbraw/zinc/39/68/48/207396848.db2.gz QPMMWXUHNVKDGI-UHFFFAOYSA-N 1 0 351.450 3.694 50 0 FHAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CC1CCCCC1)C2 ZINC000014752740 207528211 /nfs/dbraw/zinc/52/82/11/207528211.db2.gz IXJLCRZMOIYPQO-SFHVURJKSA-N 1 0 372.557 3.556 50 0 FHAARO CCCC1c2cccn2CC[N+]1=CC(=O)c1ccc(Br)cc1 ZINC000015952683 207575624 /nfs/dbraw/zinc/57/56/24/207575624.db2.gz RDSLIZGWABQFCR-UHFFFAOYSA-N 1 0 360.275 3.612 50 0 FHAARO Cc1nccn1Cc1ccccc1NC(=O)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023580859 207849709 /nfs/dbraw/zinc/84/97/09/207849709.db2.gz HCIJHBQPKGEFGJ-QGZVFWFLSA-N 1 0 366.490 3.978 50 0 FHAARO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(C)o2)c(C(C)(C)C)c1 ZINC000023701628 207851278 /nfs/dbraw/zinc/85/12/78/207851278.db2.gz ILUQASNGZJKJLP-MRXNPFEDSA-N 1 0 361.482 3.766 50 0 FHAARO COc1ccc(CC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000027662135 207936738 /nfs/dbraw/zinc/93/67/38/207936738.db2.gz GDOBVFWXFYIHGA-QFIPXVFZSA-N 1 0 366.505 3.890 50 0 FHAARO CCc1ccc(OCC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000028292411 207958551 /nfs/dbraw/zinc/95/85/51/207958551.db2.gz HAGHUMKULFCCMQ-NRFANRHFSA-N 1 0 354.494 3.827 50 0 FHAARO c1csc(C[N@H+]2CCCN(Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000030211302 208001318 /nfs/dbraw/zinc/00/13/18/208001318.db2.gz RDEGISIDFKQDCU-UHFFFAOYSA-N 1 0 360.508 3.568 50 0 FHAARO O=C(Cc1c(F)cccc1Cl)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032398881 208027146 /nfs/dbraw/zinc/02/71/46/208027146.db2.gz KNCHAGWCQBXOTM-UHFFFAOYSA-N 1 0 360.860 3.586 50 0 FHAARO COc1cccc2ncn(CC[C@H]3CCCC[N@@H+]3C3CCCC3)c(=O)c21 ZINC000032520203 208030393 /nfs/dbraw/zinc/03/03/93/208030393.db2.gz OLNAXJRIZSYAMH-QGZVFWFLSA-N 1 0 355.482 3.592 50 0 FHAARO COc1cccc(CC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000032930265 208058522 /nfs/dbraw/zinc/05/85/22/208058522.db2.gz OZLFEUSDFQLOCE-GOSISDBHSA-N 1 0 366.505 3.929 50 0 FHAARO COc1ccc(C[N@@H+](Cc2cc(=O)n3cc(C)sc3n2)CC(C)C)cc1 ZINC000033068934 208070755 /nfs/dbraw/zinc/07/07/55/208070755.db2.gz IRTMZSQJTUHSTP-UHFFFAOYSA-N 1 0 371.506 3.731 50 0 FHAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cccs2)ccc1OCC(N)=O ZINC000033087211 208072246 /nfs/dbraw/zinc/07/22/46/208072246.db2.gz YUFYVROQLMXRHW-INIZCTEOSA-N 1 0 374.506 3.738 50 0 FHAARO Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCCC[NH+]1CCCCC1 ZINC000035536324 208130305 /nfs/dbraw/zinc/13/03/05/208130305.db2.gz BKYIIJDEXADWRY-UHFFFAOYSA-N 1 0 361.873 3.909 50 0 FHAARO CC(C)c1ccc([C@H](CNC(=O)c2csnn2)[NH+]2CCCCC2)cc1 ZINC000035673453 208135203 /nfs/dbraw/zinc/13/52/03/208135203.db2.gz HFMXOMIKJGXELC-SFHVURJKSA-N 1 0 358.511 3.619 50 0 FHAARO CC(=O)CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000036392129 208162552 /nfs/dbraw/zinc/16/25/52/208162552.db2.gz QEPLIBYYEBCJRH-TUNNFDKTSA-N 1 0 359.510 3.603 50 0 FHAARO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c2cnn(C)c2n1 ZINC000036616725 208165748 /nfs/dbraw/zinc/16/57/48/208165748.db2.gz UMQPNNKYSDMWHZ-UHFFFAOYSA-N 1 0 363.465 3.515 50 0 FHAARO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccc(C)c2)CC(C)C)cc1 ZINC000036100400 208145942 /nfs/dbraw/zinc/14/59/42/208145942.db2.gz MLIGSCXSWVPUNG-FQEVSTJZSA-N 1 0 357.494 3.902 50 0 FHAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)C)cc1 ZINC000036102362 208146332 /nfs/dbraw/zinc/14/63/32/208146332.db2.gz UNNUUCFJELAQJG-FQEVSTJZSA-N 1 0 361.457 3.622 50 0 FHAARO CC[C@@H](C)[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)COCc1ccco1 ZINC000036104150 208147099 /nfs/dbraw/zinc/14/70/99/208147099.db2.gz IOOGXHSFONREPU-PBHICJAKSA-N 1 0 353.409 3.736 50 0 FHAARO COCC[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036100476 208147192 /nfs/dbraw/zinc/14/71/92/208147192.db2.gz ZNUJVIOCDCIQJL-IBGZPJMESA-N 1 0 363.885 3.537 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)n1cccc1 ZINC000070636902 208175875 /nfs/dbraw/zinc/17/58/75/208175875.db2.gz RBNQQDVAWRLDIB-HSZRJFAPSA-N 1 0 373.500 3.858 50 0 FHAARO CSc1cccc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)c1 ZINC000039543126 208210499 /nfs/dbraw/zinc/21/04/99/208210499.db2.gz IHPJKJXGTNOHJX-QGZVFWFLSA-N 1 0 362.564 3.539 50 0 FHAARO Cn1cc([C@@H](CNC(=O)/C=C/c2cccs2)[NH+](C)C)c2ccccc21 ZINC000075149161 208191664 /nfs/dbraw/zinc/19/16/64/208191664.db2.gz IJVLBLVAEDAPIY-GNISGLHKSA-N 1 0 353.491 3.672 50 0 FHAARO C[C@@H]1CCC[N@H+](CCNC(=O)COc2ccc3oc4ccccc4c3c2)C1 ZINC000040110343 208229130 /nfs/dbraw/zinc/22/91/30/208229130.db2.gz ZCKKCXSLJYWNNT-MRXNPFEDSA-N 1 0 366.461 3.813 50 0 FHAARO C[C@H]1CCC[N@H+](CCCNC(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000040108080 208230550 /nfs/dbraw/zinc/23/05/50/208230550.db2.gz RITDZBXDLUODDU-VSGCLNPGSA-N 1 0 365.315 3.701 50 0 FHAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OC(C)C)c(Br)c1 ZINC000040719695 208262571 /nfs/dbraw/zinc/26/25/71/208262571.db2.gz AHBHUUCHYVQFBR-HNNXBMFYSA-N 1 0 355.320 3.810 50 0 FHAARO COc1cc(C[NH2+]CCCCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000040721015 208263052 /nfs/dbraw/zinc/26/30/52/208263052.db2.gz PZZUHNSZTCTSKI-UHFFFAOYSA-N 1 0 367.848 3.929 50 0 FHAARO Cc1cccc(COc2ccc(Br)cc2C[NH2+]CCCO)c1 ZINC000040743793 208269000 /nfs/dbraw/zinc/26/90/00/208269000.db2.gz HTKZSEPPZKPEMS-UHFFFAOYSA-N 1 0 364.283 3.809 50 0 FHAARO COc1cc(C[NH2+]CCCO)ccc1OCc1ccc(F)cc1Cl ZINC000040743640 208269137 /nfs/dbraw/zinc/26/91/37/208269137.db2.gz GESYZVIQSZNPMP-UHFFFAOYSA-N 1 0 353.821 3.539 50 0 FHAARO Cc1noc(C)c1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000042743130 208296216 /nfs/dbraw/zinc/29/62/16/208296216.db2.gz IJYGRKSVZMRRQI-UHFFFAOYSA-N 1 0 363.845 3.501 50 0 FHAARO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(F)cc2)CC1 ZINC000043025909 208300063 /nfs/dbraw/zinc/30/00/63/208300063.db2.gz PEFWFCDFFFVJIH-UHFFFAOYSA-N 1 0 355.457 3.598 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000043165591 208303231 /nfs/dbraw/zinc/30/32/31/208303231.db2.gz KVVFCTWEPDRTQE-ZHALLVOQSA-N 1 0 359.514 3.568 50 0 FHAARO O=C(NCCCc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044909290 208321957 /nfs/dbraw/zinc/32/19/57/208321957.db2.gz RPNBOSONXRHZKH-UHFFFAOYSA-N 1 0 354.469 3.787 50 0 FHAARO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000044912648 208323063 /nfs/dbraw/zinc/32/30/63/208323063.db2.gz QYEZAJDQYAEEFL-UHFFFAOYSA-N 1 0 370.468 3.753 50 0 FHAARO O=C(N[C@@H]1CCOc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303269 208377104 /nfs/dbraw/zinc/37/71/04/208377104.db2.gz DMAJIZSYNYWJSE-HXUWFJFHSA-N 1 0 350.462 3.539 50 0 FHAARO CC[NH+]1CCC(N(C(=O)c2ccc(Br)s2)C2CC2)CC1 ZINC000048342953 208403138 /nfs/dbraw/zinc/40/31/38/208403138.db2.gz LFJXTHCZPBPSMV-UHFFFAOYSA-N 1 0 357.317 3.600 50 0 FHAARO Cc1ccc(C)c(C(=O)CCC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048309376 208397561 /nfs/dbraw/zinc/39/75/61/208397561.db2.gz FEIPGLZZTAUZTF-HXUWFJFHSA-N 1 0 352.478 3.685 50 0 FHAARO Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048309374 208397846 /nfs/dbraw/zinc/39/78/46/208397846.db2.gz FEIPGLZZTAUZTF-FQEVSTJZSA-N 1 0 352.478 3.685 50 0 FHAARO CC(C)C[N@H+](Cc1ccc(Sc2nncn2C)o1)Cc1ccccn1 ZINC000055309199 208474940 /nfs/dbraw/zinc/47/49/40/208474940.db2.gz DIECPFYQLBPJNN-UHFFFAOYSA-N 1 0 357.483 3.613 50 0 FHAARO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccc(-n2cncn2)cc1 ZINC000055360041 208477083 /nfs/dbraw/zinc/47/70/83/208477083.db2.gz QUKSJAGLHGBSPQ-AWEZNQCLSA-N 1 0 362.412 3.647 50 0 FHAARO COc1cccc(C[NH+]2CCC(NC(=O)CCCc3ccccc3)CC2)c1 ZINC000058011236 208554244 /nfs/dbraw/zinc/55/42/44/208554244.db2.gz VOPRIKFRFFKOFE-UHFFFAOYSA-N 1 0 366.505 3.799 50 0 FHAARO CCC(CC)NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000058292252 208577777 /nfs/dbraw/zinc/57/77/77/208577777.db2.gz BJUWTJSLNKBDAW-UHFFFAOYSA-N 1 0 353.304 3.723 50 0 FHAARO O=S(=O)(NCC1CC[NH+](C2CCCC2)CC1)c1cccc2ccccc21 ZINC000022999907 220407715 /nfs/dbraw/zinc/40/77/15/220407715.db2.gz JKMWEUUTTPFUOT-UHFFFAOYSA-N 1 0 372.534 3.773 50 0 FHAARO Cc1cccnc1CCNc1nc(-c2ccc(Cl)cc2)nc2c1C[NH2+]C2 ZINC000072134354 208804159 /nfs/dbraw/zinc/80/41/59/208804159.db2.gz JVOMPBSNWUKUKQ-UHFFFAOYSA-N 1 0 365.868 3.758 50 0 FHAARO O=C(NCc1ccc(-c2ccccn2)s1)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072169740 208821548 /nfs/dbraw/zinc/82/15/48/208821548.db2.gz PQADTORYPAIZGK-OAHLLOKOSA-N 1 0 363.486 3.817 50 0 FHAARO Cn1cc(C[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000072167422 208822346 /nfs/dbraw/zinc/82/23/46/208822346.db2.gz MLMZYFDZTDQSDY-UHFFFAOYSA-N 1 0 361.489 3.568 50 0 FHAARO C(c1nnc(C2CC[NH+](CC3CCCC3)CC2)n1C1CC1)N1CCCC1 ZINC000077385670 208902836 /nfs/dbraw/zinc/90/28/36/208902836.db2.gz ALCBFUFVAQELEC-UHFFFAOYSA-N 1 0 357.546 3.578 50 0 FHAARO O=C1CCC2(CC[NH+](Cc3cc(Cl)ccc3F)CC2)CN1C1CC1 ZINC000091847864 209000595 /nfs/dbraw/zinc/00/05/95/209000595.db2.gz FPOWPISEALYCKV-UHFFFAOYSA-N 1 0 350.865 3.846 50 0 FHAARO COc1ccc([C@H]2CN(C(=O)c3ccccc3-c3ccccc3)C[C@@H]2[NH3+])cc1 ZINC000091876678 209001999 /nfs/dbraw/zinc/00/19/99/209001999.db2.gz QODOZZQEZAEYIQ-PKTZIBPZSA-N 1 0 372.468 3.929 50 0 FHAARO Cc1ccncc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091907596 209004187 /nfs/dbraw/zinc/00/41/87/209004187.db2.gz LOIRLPKKVAIGTH-LEWJYISDSA-N 1 0 363.505 3.559 50 0 FHAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C4CC4)C3)CC2)c(C)c1C ZINC000091906885 209004225 /nfs/dbraw/zinc/00/42/25/209004225.db2.gz FTHCVYATDVZMNZ-UHFFFAOYSA-N 1 0 356.510 3.679 50 0 FHAARO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](Cc1ccoc1)CC2 ZINC000091915493 209006316 /nfs/dbraw/zinc/00/63/16/209006316.db2.gz AVBMUQCOOJYGMN-UHFFFAOYSA-N 1 0 352.478 3.727 50 0 FHAARO CCOc1c(Cl)cc(CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)cc1OC ZINC000096013683 209097097 /nfs/dbraw/zinc/09/70/97/209097097.db2.gz IVPILHPOKSXHAA-GFCCVEGCSA-N 1 0 356.894 3.530 50 0 FHAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000095996296 209095493 /nfs/dbraw/zinc/09/54/93/209095493.db2.gz NJPVPHULKXWQDZ-JLSDUUJJSA-N 1 0 364.534 3.514 50 0 FHAARO Cc1noc(C)c1CN(C)[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1c(C)noc1C ZINC000095995922 209093902 /nfs/dbraw/zinc/09/39/02/209093902.db2.gz OESRMVNJBNZROF-BGYRXZFFSA-N 1 0 360.502 3.771 50 0 FHAARO CCCCc1nc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c[nH]1 ZINC000091965668 209007910 /nfs/dbraw/zinc/00/79/10/209007910.db2.gz MVEQCOQBWOZSAH-GHTZIAJQSA-N 1 0 370.516 3.988 50 0 FHAARO CCn1nc(C(C)C)cc1C(=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000092038352 209013241 /nfs/dbraw/zinc/01/32/41/209013241.db2.gz FGEYWNRRYQGQFT-UHFFFAOYSA-N 1 0 368.525 3.636 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)N3CCCC3)CC2)C1 ZINC000092080481 209017105 /nfs/dbraw/zinc/01/71/05/209017105.db2.gz YQSLKVMDWZNRHB-FQEVSTJZSA-N 1 0 355.526 3.794 50 0 FHAARO CC[NH+]1CCC(CC(=O)N[C@H](c2ccncc2)c2ccc(C)cc2)CC1 ZINC000095359900 209027164 /nfs/dbraw/zinc/02/71/64/209027164.db2.gz BSDKMQOOBKDBAS-QFIPXVFZSA-N 1 0 351.494 3.718 50 0 FHAARO O=C(c1ccc2ccccc2n1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095360534 209028394 /nfs/dbraw/zinc/02/83/94/209028394.db2.gz KNEORVQVULBVIA-PZJWPPBQSA-N 1 0 371.484 3.971 50 0 FHAARO Cc1nc2ccccc2nc1C[NH+]1CCC2(CCC(=O)N(C(C)C)C2)CC1 ZINC000092046344 209015146 /nfs/dbraw/zinc/01/51/46/209015146.db2.gz WKCUNTDNCVSIRE-UHFFFAOYSA-N 1 0 366.509 3.551 50 0 FHAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC000095387898 209045336 /nfs/dbraw/zinc/04/53/36/209045336.db2.gz IJGMGJNMJRTNJZ-IBGZPJMESA-N 1 0 360.546 3.511 50 0 FHAARO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1ccnc3ccccc13)CC2 ZINC000095372344 209034280 /nfs/dbraw/zinc/03/42/80/209034280.db2.gz AIUQLLPKORDDSN-OAQYLSRUSA-N 1 0 371.484 3.873 50 0 FHAARO COCCN(Cc1ccccc1C)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095373047 209034779 /nfs/dbraw/zinc/03/47/79/209034779.db2.gz YOWBOPHVSDKUAI-NRFANRHFSA-N 1 0 366.505 3.751 50 0 FHAARO CCc1ncc(C(=O)NC[C@H](c2ccccc2C)[NH+]2CCC(C)CC2)cn1 ZINC000095372794 209035083 /nfs/dbraw/zinc/03/50/83/209035083.db2.gz OCCRGDLSPXEVAF-HXUWFJFHSA-N 1 0 366.509 3.550 50 0 FHAARO CCCc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cs1 ZINC000095381861 209040199 /nfs/dbraw/zinc/04/01/99/209040199.db2.gz XFKNRMFSGDGMKD-ZWKOTPCHSA-N 1 0 369.534 3.832 50 0 FHAARO CCOc1ccccc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095383400 209042415 /nfs/dbraw/zinc/04/24/15/209042415.db2.gz PJMZQYPKXKRRGJ-PZJWPPBQSA-N 1 0 351.494 3.577 50 0 FHAARO C[C@@H]1Cc2ccc(Br)cc2[C@H]1[NH2+]CCSCC(C)(C)O ZINC000095451020 209050354 /nfs/dbraw/zinc/05/03/54/209050354.db2.gz FTMJKCAOUVXJHY-ABAIWWIYSA-N 1 0 358.345 3.776 50 0 FHAARO Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000095956572 209089819 /nfs/dbraw/zinc/08/98/19/209089819.db2.gz PGWPGHBSEXZLGG-UGSOOPFHSA-N 1 0 374.916 3.737 50 0 FHAARO O=C(c1cc[nH]c1)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095509270 209066930 /nfs/dbraw/zinc/06/69/30/209066930.db2.gz QRVWZKIQWGMVBT-UHFFFAOYSA-N 1 0 366.509 3.707 50 0 FHAARO CC[NH+]1CCC(CC(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)CC1 ZINC000095510452 209068734 /nfs/dbraw/zinc/06/87/34/209068734.db2.gz GKNLCIRNJXTYJJ-SFTDATJTSA-N 1 0 358.526 3.753 50 0 FHAARO O=C(CCC1CC[NH+](Cc2cnc[nH]2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000095511595 209069024 /nfs/dbraw/zinc/06/90/24/209069024.db2.gz HJPCDVHZVMQAEU-UHFFFAOYSA-N 1 0 364.852 3.833 50 0 FHAARO CN(Cc1noc2c1CCCC2)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095515375 209070616 /nfs/dbraw/zinc/07/06/16/209070616.db2.gz RBSSILQLPXYILI-UHFFFAOYSA-N 1 0 367.493 3.812 50 0 FHAARO CSc1ccc2c(C)cc(N3CCC(C[NH+]4CCOCC4)CC3)nc2c1 ZINC000077485561 132187012 /nfs/dbraw/zinc/18/70/12/132187012.db2.gz ATLGEDJDPVUDCK-UHFFFAOYSA-N 1 0 371.550 3.814 50 0 FHAARO COCCn1ccnc1[C@H]1CCCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000091663467 132203036 /nfs/dbraw/zinc/20/30/36/132203036.db2.gz YUKVYLAGRXCVSD-KRWDZBQOSA-N 1 0 350.466 3.770 50 0 FHAARO CSc1ccc2nc(N3CCC([NH+]4CCC(O)CC4)CC3)cc(C)c2c1 ZINC000095360620 132207727 /nfs/dbraw/zinc/20/77/27/132207727.db2.gz OERVKHFDFAENOF-UHFFFAOYSA-N 1 0 371.550 3.691 50 0 FHAARO CSc1nccc(N2CCC([NH2+][C@@H](C)c3nc(C)sc3C)CC2)n1 ZINC000095390925 132210377 /nfs/dbraw/zinc/21/03/77/132210377.db2.gz OWKKFNDURZPUCH-NSHDSACASA-N 1 0 363.556 3.591 50 0 FHAARO Cc1ncsc1CC[N@@H+](C)C1CCN(c2ncnc3ccsc32)CC1 ZINC000095511018 132213245 /nfs/dbraw/zinc/21/32/45/132213245.db2.gz UDSGMSSEWYLEGN-UHFFFAOYSA-N 1 0 373.551 3.600 50 0 FHAARO Cc1cc(N2CCC([NH2+]Cc3cncn3CC(C)C)CC2)nc(C(C)C)n1 ZINC000095519328 132213858 /nfs/dbraw/zinc/21/38/58/132213858.db2.gz CQDOMQNRLNWJRD-UHFFFAOYSA-N 1 0 370.545 3.520 50 0 FHAARO C[C@@H]1C[C@@H](Nc2ccccc2N2CCC(O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000095997205 132216850 /nfs/dbraw/zinc/21/68/50/132216850.db2.gz GLCWBGLYXDCCKI-UYAOXDASSA-N 1 0 365.521 3.723 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000007105290 132259140 /nfs/dbraw/zinc/25/91/40/132259140.db2.gz DMAMFITZLQJLMS-UHFFFAOYSA-N 1 0 363.383 3.710 50 0 FHAARO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[N@@H+](C)C1CCCCC1 ZINC000008717464 132260148 /nfs/dbraw/zinc/26/01/48/132260148.db2.gz ZPPANMOXRDWLLX-UHFFFAOYSA-N 1 0 369.509 3.850 50 0 FHAARO C[NH+](C)C1CCN(c2cc(Br)ccc2C(F)(F)F)CC1 ZINC000169725688 132262008 /nfs/dbraw/zinc/26/20/08/132262008.db2.gz DFSISIJXGJUZGC-UHFFFAOYSA-N 1 0 351.210 3.998 50 0 FHAARO CCC1=C(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CCCO1 ZINC000190057979 132267060 /nfs/dbraw/zinc/26/70/60/132267060.db2.gz IQMGGQUYAZFNRK-UHFFFAOYSA-N 1 0 369.509 3.632 50 0 FHAARO O=C(CC[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1F ZINC000002939448 132384438 /nfs/dbraw/zinc/38/44/38/132384438.db2.gz ZNSWOQRVLYTDIS-UHFFFAOYSA-N 1 0 361.848 3.630 50 0 FHAARO O=C(Nc1cccc(Br)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033129003 136117433 /nfs/dbraw/zinc/11/74/33/136117433.db2.gz JSGFAYAXVHAYIV-UHFFFAOYSA-N 1 0 360.255 3.699 50 0 FHAARO Cc1ccc(C[NH+]2CCN(c3ccc(NC(=O)CC(C)C)cn3)CC2)cc1 ZINC000034667862 136117762 /nfs/dbraw/zinc/11/77/62/136117762.db2.gz IKEOCMZEDFGDJN-UHFFFAOYSA-N 1 0 366.509 3.697 50 0 FHAARO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC1CCCCC1 ZINC000041654854 136120940 /nfs/dbraw/zinc/12/09/40/136120940.db2.gz PHGPSZDLJUMHDY-LJQANCHMSA-N 1 0 357.542 3.674 50 0 FHAARO c1ccc(C[NH+]2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000054290315 136125416 /nfs/dbraw/zinc/12/54/16/136125416.db2.gz IDPWVWUGBLEEFH-UHFFFAOYSA-N 1 0 364.518 3.892 50 0 FHAARO CCC[C@H]1CC[N@@H+](C2CCN(c3cccc(N4CCN(C)C4=O)c3)CC2)C1 ZINC000063868889 136133031 /nfs/dbraw/zinc/13/30/31/136133031.db2.gz ORIIFVYIEXDAIA-SFHVURJKSA-N 1 0 370.541 3.649 50 0 FHAARO c1cnc(N2CCC3(CCC[N@H+]3Cc3ccc4ccccc4n3)CC2)nc1 ZINC000072424359 136146252 /nfs/dbraw/zinc/14/62/52/136146252.db2.gz QTTVZGGTZBQIEE-UHFFFAOYSA-N 1 0 359.477 3.660 50 0 FHAARO CCc1ccc(CCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000011948416 136151407 /nfs/dbraw/zinc/15/14/07/136151407.db2.gz RCYOQJNYEBBNOY-UHFFFAOYSA-N 1 0 365.521 3.962 50 0 FHAARO Cc1cc2cc(NC(=O)N3CC[NH+](C4CCSCC4)CC3)ccc2o1 ZINC000095527973 209077235 /nfs/dbraw/zinc/07/72/35/209077235.db2.gz CVVAWANDTKRWLV-UHFFFAOYSA-N 1 0 359.495 3.786 50 0 FHAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc[nH]1 ZINC000095527981 209077878 /nfs/dbraw/zinc/07/78/78/209077878.db2.gz QIAXELYXWYTVEW-QGZVFWFLSA-N 1 0 359.901 3.695 50 0 FHAARO Cc1ccccc1CC[NH+]1CCC(C[N@H+](CC(=O)[O-])C2CCCC2)CC1 ZINC000095527677 209077957 /nfs/dbraw/zinc/07/79/57/209077957.db2.gz JLZULVWCQQCWIB-UHFFFAOYSA-N 1 0 358.526 3.579 50 0 FHAARO COc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000095530568 209078416 /nfs/dbraw/zinc/07/84/16/209078416.db2.gz RUWYGWJLIZMONX-INIZCTEOSA-N 1 0 355.438 3.655 50 0 FHAARO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCc3occc32)c1 ZINC000119383547 263453740 /nfs/dbraw/zinc/45/37/40/263453740.db2.gz PLXJDOLCQKRJOQ-CZUORRHYSA-N 1 0 358.438 3.681 50 0 FHAARO CC[N@@H+]1CCC[C@H](CNC(=O)N(Cc2c(F)cccc2Cl)C2CC2)C1 ZINC000426533713 263623508 /nfs/dbraw/zinc/62/35/08/263623508.db2.gz DENQAXKZSXISKF-CQSZACIVSA-N 1 0 367.896 3.885 50 0 FHAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000019853917 518372141 /nfs/dbraw/zinc/37/21/41/518372141.db2.gz QAMVWSTVXMMZHU-QQRRWSATSA-N 1 0 361.533 3.986 50 0 FHAARO CCC[N@@H+]1CCCn2nc(CNc3cc(C(F)(F)F)ccn3)cc2C1 ZINC000082083536 519855270 /nfs/dbraw/zinc/85/52/70/519855270.db2.gz UAFHZLRKCPEPBG-UHFFFAOYSA-N 1 0 353.392 3.525 50 0 FHAARO CCOc1cc(CN2CC[NH+](Cc3ccc(CC)cc3)CC2)ccc1OC ZINC000019842357 520699539 /nfs/dbraw/zinc/69/95/39/520699539.db2.gz VQXHPRKBRCSNNV-UHFFFAOYSA-N 1 0 368.521 3.974 50 0 FHAARO CC[NH+](CC)CCn1c2ccccc2n(CCOc2ccccc2C)c1=N ZINC000020069480 520713536 /nfs/dbraw/zinc/71/35/36/520713536.db2.gz GVVBPJFLTPUFRB-UHFFFAOYSA-N 1 0 366.509 3.651 50 0 FHAARO COc1ccc(/C=C/C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)cc1 ZINC000091626409 523405026 /nfs/dbraw/zinc/40/50/26/523405026.db2.gz ACCBDZNFPODVDI-QMUYELLFSA-N 1 0 369.534 3.761 50 0 FHAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)c(C)c1 ZINC000084460293 523776364 /nfs/dbraw/zinc/77/63/64/523776364.db2.gz LZVSSDAFJLVGJS-MRXNPFEDSA-N 1 0 365.433 3.635 50 0 FHAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000019810218 524045993 /nfs/dbraw/zinc/04/59/93/524045993.db2.gz WODYHMUTKSYVDX-UHFFFAOYSA-N 1 0 372.896 3.877 50 0 FHAARO C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000252666187 524412177 /nfs/dbraw/zinc/41/21/77/524412177.db2.gz ASHCZBLTJLUGOC-ZFMNYDKASA-N 1 0 358.526 3.751 50 0 FHAARO Cc1cccc(C[NH2+]Cc2cccn2-c2nnc(N3CCCCC3)s2)c1 ZINC000020576695 524435566 /nfs/dbraw/zinc/43/55/66/524435566.db2.gz ZJRRKAMEFYGLLI-UHFFFAOYSA-N 1 0 367.522 3.917 50 0 FHAARO COc1ccc(OC)c(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000239432917 524826545 /nfs/dbraw/zinc/82/65/45/524826545.db2.gz WWUIJHJNWLBGLM-IFMALSPDSA-N 1 0 358.526 3.933 50 0 FHAARO Cc1ccccc1C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082109958 525056286 /nfs/dbraw/zinc/05/62/86/525056286.db2.gz SSVQEESEDITWLD-UHFFFAOYSA-N 1 0 366.509 3.660 50 0 FHAARO Cc1[nH]c2c(c1CC(=O)NCCNc1cc(C)cc[nH+]1)c(C)ccc2C ZINC000091562683 525414332 /nfs/dbraw/zinc/41/43/32/525414332.db2.gz YBIUSCFLBQLARE-UHFFFAOYSA-N 1 0 350.466 3.567 50 0 FHAARO Cc1ccc(OCC[NH+]2CCC3(CCC(=O)N(C(C)C)C3)CC2)c(C)c1 ZINC000091254390 525417955 /nfs/dbraw/zinc/41/79/55/525417955.db2.gz LRHQWVLUVQTTIJ-UHFFFAOYSA-N 1 0 358.526 3.795 50 0 FHAARO COc1ccc2c(cc(C(=O)NC[C@H](c3sccc3C)[NH+](C)C)n2C)c1 ZINC000091425633 525613167 /nfs/dbraw/zinc/61/31/67/525613167.db2.gz JCBIETYSDGVDGX-GOSISDBHSA-N 1 0 371.506 3.590 50 0 FHAARO COc1cccc(C[NH2+]C[C@H](C)O)c1OCc1ccc(F)cc1Cl ZINC000020876201 526020249 /nfs/dbraw/zinc/02/02/49/526020249.db2.gz ATAAKTFSEGOZKT-LBPRGKRZSA-N 1 0 353.821 3.537 50 0 FHAARO COc1cccc(NC(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000252444522 526192364 /nfs/dbraw/zinc/19/23/64/526192364.db2.gz RVMYKIPAAHCWTF-AZUAARDMSA-N 1 0 351.450 3.843 50 0 FHAARO O=C(NCc1cccc(F)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091643546 526718057 /nfs/dbraw/zinc/71/80/57/526718057.db2.gz OVGURBWOERILBR-PZJWPPBQSA-N 1 0 367.468 3.632 50 0 FHAARO Clc1ccc(-c2ccc(C[NH2+]CCN3CCOCC3)o2)c(Cl)c1 ZINC000019872373 526932274 /nfs/dbraw/zinc/93/22/74/526932274.db2.gz NWDNYYJUBPTQJN-UHFFFAOYSA-N 1 0 355.265 3.675 50 0 FHAARO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cnoc1-c1ccc(Cl)cc1 ZINC000089793798 527046534 /nfs/dbraw/zinc/04/65/34/527046534.db2.gz DKGCGXBFFBGLHR-KRWDZBQOSA-N 1 0 373.884 3.989 50 0 FHAARO [NH3+]C[C@H]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000178519437 527237835 /nfs/dbraw/zinc/23/78/35/527237835.db2.gz ARLZPQXCAAVFRC-SECBINFHSA-N 1 0 356.278 3.538 50 0 FHAARO CC1(CCC(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000055245317 535115352 /nfs/dbraw/zinc/11/53/52/535115352.db2.gz ZSQRVWASEJFTEP-FQEVSTJZSA-N 1 0 373.516 3.519 50 0 FHAARO CC[NH+]1CCN(c2cc(C(C)C)nc3c(-c4ccccc4)c(C)nn32)CC1 ZINC000002351347 535742853 /nfs/dbraw/zinc/74/28/53/535742853.db2.gz OWGLMKKLVSBNQO-UHFFFAOYSA-N 1 0 363.509 3.970 50 0 FHAARO c1cnn(Cc2ccc(C[N@H+](Cc3ccccn3)C[C@@H]3CCCO3)cc2)c1 ZINC000215013307 568041486 /nfs/dbraw/zinc/04/14/86/568041486.db2.gz OOOQVAFYIYZBNW-QFIPXVFZSA-N 1 0 362.477 3.508 50 0 FHAARO CC[C@H](C)Sc1ncc(CN(C)Cc2ccc3c(c2)C[N@@H+](C)C3)cn1 ZINC000215025741 568043011 /nfs/dbraw/zinc/04/30/11/568043011.db2.gz ZMMNYTCFQZAYMK-HNNXBMFYSA-N 1 0 356.539 3.945 50 0 FHAARO CCOc1ccc(-c2ccc(C[NH+]3CCC(c4nnc[nH]4)CC3)o2)cc1 ZINC000215187920 568056695 /nfs/dbraw/zinc/05/66/95/568056695.db2.gz FOHSUWBDIQKEGP-UHFFFAOYSA-N 1 0 352.438 3.843 50 0 FHAARO CCCc1nc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cs1 ZINC000215275279 568061399 /nfs/dbraw/zinc/06/13/99/568061399.db2.gz YJDALVIEHARPQL-UHFFFAOYSA-N 1 0 357.523 3.662 50 0 FHAARO c1csc(-c2ncc(CN3CCc4nc(-c5cccnc5)[nH]c4C3)cn2)c1 ZINC000215396839 568068054 /nfs/dbraw/zinc/06/80/54/568068054.db2.gz GXCHEQWZELLGRP-UHFFFAOYSA-N 1 0 374.473 3.549 50 0 FHAARO COc1cc2c(cc1C[N@H+](C)Cc1cccc3cnccc31)OCCO2 ZINC000215487547 568073159 /nfs/dbraw/zinc/07/31/59/568073159.db2.gz IXUWIOCDVVAMNG-UHFFFAOYSA-N 1 0 350.418 3.647 50 0 FHAARO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@]1(c2ccccc2)CC1(C)C ZINC000215499067 568073840 /nfs/dbraw/zinc/07/38/40/568073840.db2.gz ILTJXQVKCVMSOW-OAQYLSRUSA-N 1 0 357.519 3.890 50 0 FHAARO Cc1c(C[N@@H+]2CCCC[C@H]2c2ccccn2)c(=O)n(-c2ccccc2)n1C ZINC000215681962 568083479 /nfs/dbraw/zinc/08/34/79/568083479.db2.gz BHPXVORJCWMNJE-NRFANRHFSA-N 1 0 362.477 3.607 50 0 FHAARO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3cccc(Cn4cccn4)c3)C2)n1 ZINC000215714265 568085105 /nfs/dbraw/zinc/08/51/05/568085105.db2.gz MQQSDWLCSNPCEJ-LJQANCHMSA-N 1 0 365.481 3.817 50 0 FHAARO COc1cccc(-c2ccc(C(=O)N(C)C[C@@H]3CCCC[N@@H+]3C)cc2)c1 ZINC000215855085 568092656 /nfs/dbraw/zinc/09/26/56/568092656.db2.gz VETSPNYBYBOKKY-FQEVSTJZSA-N 1 0 352.478 3.919 50 0 FHAARO C[C@@H](C1CCN(Cc2[nH]c3ccccc3c2Cl)CC1)[NH+]1CCOCC1 ZINC000216274112 568115937 /nfs/dbraw/zinc/11/59/37/568115937.db2.gz UGHTVWSWGRZAFH-HNNXBMFYSA-N 1 0 361.917 3.754 50 0 FHAARO COc1ccc2[nH]c(C[N@@H+]3CC[C@](O)(c4ccccc4C)C3)c(C)c2c1 ZINC000216391471 568121398 /nfs/dbraw/zinc/12/13/98/568121398.db2.gz VBBXAZRHYVLHFU-JOCHJYFZSA-N 1 0 350.462 3.887 50 0 FHAARO COc1ccc2[nH]c(C[N@@H+]3CC[C@@](O)(c4ccccc4C)C3)c(C)c2c1 ZINC000216391422 568121424 /nfs/dbraw/zinc/12/14/24/568121424.db2.gz VBBXAZRHYVLHFU-QFIPXVFZSA-N 1 0 350.462 3.887 50 0 FHAARO COc1ccc(C[N@H+](CC(=O)NCC(C)C)[C@H](C)Cc2cccs2)cc1 ZINC000024892320 568229310 /nfs/dbraw/zinc/22/93/10/568229310.db2.gz HNTLBVTZGHBHGD-QGZVFWFLSA-N 1 0 374.550 3.962 50 0 FHAARO COc1ccc(CNc2[nH+]cc(-c3ccccc3)n2C)c(OC)c1OC ZINC000000819067 568295164 /nfs/dbraw/zinc/29/51/64/568295164.db2.gz NJRDJIKQCGKPTN-UHFFFAOYSA-N 1 0 353.422 3.725 50 0 FHAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2OCc2ccccc2)CC1 ZINC000221296457 568396141 /nfs/dbraw/zinc/39/61/41/568396141.db2.gz GQRWBNMYUNNPOU-LJQANCHMSA-N 1 0 352.478 3.822 50 0 FHAARO O=C(Cc1cccc(C(F)(F)F)c1)NCC1([NH+]2CCCC2)CCCC1 ZINC000223453581 568656911 /nfs/dbraw/zinc/65/69/11/568656911.db2.gz LOUMBXHHFFFLHZ-UHFFFAOYSA-N 1 0 354.416 3.773 50 0 FHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000000755594 570454957 /nfs/dbraw/zinc/45/49/57/570454957.db2.gz MLTSPDZUHQCLEW-LBPRGKRZSA-N 1 0 359.333 3.591 50 0 FHAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000072303673 570496915 /nfs/dbraw/zinc/49/69/15/570496915.db2.gz RTHQYSIIOPNOCR-KRWDZBQOSA-N 1 0 365.452 3.901 50 0 FHAARO CC(=O)N1CCc2cc(NC3CC[NH+](CCc4ccccc4)CC3)ccc21 ZINC000001495012 570501417 /nfs/dbraw/zinc/50/14/17/570501417.db2.gz JVFSVNCIJRXULX-UHFFFAOYSA-N 1 0 363.505 3.715 50 0 FHAARO CCCC[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC000001778606 570507482 /nfs/dbraw/zinc/50/74/82/570507482.db2.gz GVZRYPSKCNYXLI-ZDUSSCGKSA-N 1 0 366.527 3.720 50 0 FHAARO C[C@@H](CCNC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)[NH+]1CCCC1 ZINC000584902536 570511024 /nfs/dbraw/zinc/51/10/24/570511024.db2.gz HNJULMZNPDLOKQ-INIZCTEOSA-N 1 0 354.498 3.716 50 0 FHAARO CN1CCc2nc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)sc2C1 ZINC000023608477 570542180 /nfs/dbraw/zinc/54/21/80/570542180.db2.gz RGJRXZZPWOIOIO-UHFFFAOYSA-N 1 0 357.410 3.782 50 0 FHAARO CC(C)Oc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000003398580 570563227 /nfs/dbraw/zinc/56/32/27/570563227.db2.gz DPPCDODLDMYPJX-UHFFFAOYSA-N 1 0 352.478 3.868 50 0 FHAARO C[C@@H]1C[N@H+](CCC(=O)c2ccc3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000004122134 570577205 /nfs/dbraw/zinc/57/72/05/570577205.db2.gz ZQDSJXICMNDKBG-APWZRJJASA-N 1 0 351.446 3.766 50 0 FHAARO c1ccc(N2CCN(CC[NH2+][C@H]3CCc4cc5c(cc43)CCC5)CC2)cc1 ZINC000033872325 570619747 /nfs/dbraw/zinc/61/97/47/570619747.db2.gz IDJUBUPWGLMOGO-DEOSSOPVSA-N 1 0 361.533 3.574 50 0 FHAARO Cn1ccc2c1cccc2C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000061721204 570632343 /nfs/dbraw/zinc/63/23/43/570632343.db2.gz AENNMXQPYQSAKA-RMKNXTFCSA-N 1 0 359.473 3.650 50 0 FHAARO CCO[C@H](c1ccc(Br)cc1)[C@@H]([NH2+]C)C(=O)c1ccccc1 ZINC000061868584 570640605 /nfs/dbraw/zinc/64/06/05/570640605.db2.gz HXBYRMFPYAGPJO-FUHWJXTLSA-N 1 0 362.267 3.998 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1 ZINC000006287877 570644856 /nfs/dbraw/zinc/64/48/56/570644856.db2.gz ZILJKPPJLDSWDO-NYYWCZLTSA-N 1 0 355.869 3.744 50 0 FHAARO C[C@@H]1C[C@](OC(=O)COc2ccccc2)(c2ccccc2)[C@H](C)C[N@@H+]1C ZINC000005355841 570649164 /nfs/dbraw/zinc/64/91/64/570649164.db2.gz ORZSEJAIMNPLCR-JBYIUTFZSA-N 1 0 353.462 3.864 50 0 FHAARO O[C@]1(c2ccccc2)C[N+](c2ccc(Br)cc2)=C2CCCCN21 ZINC000002966175 570678450 /nfs/dbraw/zinc/67/84/50/570678450.db2.gz YRKDGLJQEMFVGK-IBGZPJMESA-N 1 0 372.286 3.709 50 0 FHAARO Cc1ccccc1[N+]1=C2CCCCN2[C@@](O)(c2ccc(OC(F)F)cc2)C1 ZINC000002966437 570679071 /nfs/dbraw/zinc/67/90/71/570679071.db2.gz SXGYKXDQEKSMKL-NRFANRHFSA-N 1 0 373.423 3.857 50 0 FHAARO COc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1ccccc1F ZINC000010314007 570699819 /nfs/dbraw/zinc/69/98/19/570699819.db2.gz IQZUSBJIPKKESR-UHFFFAOYSA-N 1 0 369.440 3.790 50 0 FHAARO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000155604466 570702078 /nfs/dbraw/zinc/70/20/78/570702078.db2.gz RJLHXWGSQWKFKK-AWEZNQCLSA-N 1 0 367.424 3.922 50 0 FHAARO C[C@@H]([NH3+])C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F ZINC000156439383 570714795 /nfs/dbraw/zinc/71/47/95/570714795.db2.gz KLOMEOVMDFQDCN-SECBINFHSA-N 1 0 374.309 3.739 50 0 FHAARO CC[N@@H+]1CCC[C@@H](C(=O)NCc2cccnc2Oc2ccccc2C)C1 ZINC000012193883 570725744 /nfs/dbraw/zinc/72/57/44/570725744.db2.gz GCJBAAODDKUHCM-GOSISDBHSA-N 1 0 353.466 3.530 50 0 FHAARO COc1cc(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)cc(OC)c1 ZINC000012301457 570733919 /nfs/dbraw/zinc/73/39/19/570733919.db2.gz CHSUSSWDZBVMCA-QHCPKHFHSA-N 1 0 369.505 3.911 50 0 FHAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 ZINC000012434678 570745202 /nfs/dbraw/zinc/74/52/02/570745202.db2.gz VRKYHLGASHZWRQ-LJQANCHMSA-N 1 0 371.912 3.791 50 0 FHAARO Fc1ccccc1-c1cnnc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000012710267 570757989 /nfs/dbraw/zinc/75/79/89/570757989.db2.gz BNLCNHUENRNQBW-KRWDZBQOSA-N 1 0 363.440 3.754 50 0 FHAARO CC(=O)Nc1ccc([C@H]2C[N@H+](C)C[C@H]2C(=O)c2ccc(Cl)cc2)cc1 ZINC000013144341 570774575 /nfs/dbraw/zinc/77/45/75/570774575.db2.gz XGHOWVUWSUQUJX-RTBURBONSA-N 1 0 356.853 3.827 50 0 FHAARO COc1ccc(CC[NH2+]Cc2cccc(Oc3ncccn3)c2)cc1OC ZINC000013731576 570788202 /nfs/dbraw/zinc/78/82/02/570788202.db2.gz DUMJMWFUBDXUDQ-UHFFFAOYSA-N 1 0 365.433 3.618 50 0 FHAARO CC[C@@H](C)[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013731402 570788206 /nfs/dbraw/zinc/78/82/06/570788206.db2.gz OZKZBYCYAOYQDN-MRXNPFEDSA-N 1 0 356.466 3.909 50 0 FHAARO CCN1C[C@H](C[N@H+](C)Cc2nc3ccccc3nc2C)Oc2ccccc21 ZINC000032797329 570804260 /nfs/dbraw/zinc/80/42/60/570804260.db2.gz DFHRFSRQAWDJDZ-KRWDZBQOSA-N 1 0 362.477 3.658 50 0 FHAARO CCCCCC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(C(=O)OCC)cc1 ZINC000014094906 570805459 /nfs/dbraw/zinc/80/54/59/570805459.db2.gz VVXQWQNIIRTXJZ-AEFFLSMTSA-N 1 0 351.487 3.552 50 0 FHAARO Cc1csc(CCCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000174498576 570807711 /nfs/dbraw/zinc/80/77/11/570807711.db2.gz PDPONGFZQYZQNO-GOSISDBHSA-N 1 0 357.523 3.555 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000014140706 570808592 /nfs/dbraw/zinc/80/85/92/570808592.db2.gz QHAPNGLKGXBEHN-IBGZPJMESA-N 1 0 358.869 3.916 50 0 FHAARO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000014163327 570809296 /nfs/dbraw/zinc/80/92/96/570809296.db2.gz WJEQODCNMQFKQY-UHFFFAOYSA-N 1 0 350.462 3.622 50 0 FHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C1CCCC1 ZINC000014967789 570827453 /nfs/dbraw/zinc/82/74/53/570827453.db2.gz GCHUZGIGOIRLLI-HXUWFJFHSA-N 1 0 372.553 3.988 50 0 FHAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](CCCn2cccn2)CC1 ZINC000014977653 570827995 /nfs/dbraw/zinc/82/79/95/570827995.db2.gz ALPYGXKVKOSOJN-UHFFFAOYSA-N 1 0 369.509 3.551 50 0 FHAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(COC)o2)C1 ZINC000015075228 570832016 /nfs/dbraw/zinc/83/20/16/570832016.db2.gz GNFYXTSIZKKDNS-QFIPXVFZSA-N 1 0 371.477 3.814 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000015923364 570848105 /nfs/dbraw/zinc/84/81/05/570848105.db2.gz DIRHJRWJLBCERZ-UHFFFAOYSA-N 1 0 354.404 3.677 50 0 FHAARO Cn1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(-c2ccccc2)n1 ZINC000179623968 570849534 /nfs/dbraw/zinc/84/95/34/570849534.db2.gz ZBPWCAYNWYXKFA-SFHVURJKSA-N 1 0 372.476 3.509 50 0 FHAARO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016603504 570858751 /nfs/dbraw/zinc/85/87/51/570858751.db2.gz KMQNLPLHUFPYAB-SFHVURJKSA-N 1 0 352.906 3.795 50 0 FHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1Br ZINC000015831622 570864624 /nfs/dbraw/zinc/86/46/24/570864624.db2.gz OQPSMWNZTPFONV-HNNXBMFYSA-N 1 0 363.255 3.609 50 0 FHAARO Cc1cccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000104973066 570865854 /nfs/dbraw/zinc/86/58/54/570865854.db2.gz KTLXZYAIABAAHU-PKTZIBPZSA-N 1 0 369.505 3.554 50 0 FHAARO COc1ccccc1CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000032930262 570869929 /nfs/dbraw/zinc/86/99/29/570869929.db2.gz POPWQFVBTSIXJW-SFHVURJKSA-N 1 0 366.505 3.929 50 0 FHAARO Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)C2CC2)CC1 ZINC000000801373 570878458 /nfs/dbraw/zinc/87/84/58/570878458.db2.gz GCNLFWIWOIVWLE-UHFFFAOYSA-N 1 0 351.372 3.937 50 0 FHAARO OCC[C@@H]1CN(Cc2c[nH]c3ccccc23)CC[N@@H+]1CC1CCCCC1 ZINC000019229547 570883086 /nfs/dbraw/zinc/88/30/86/570883086.db2.gz KQLLRNKLXUIJKP-HXUWFJFHSA-N 1 0 355.526 3.617 50 0 FHAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+]([C@@H]2CCSC2)CC1 ZINC000019535026 570891971 /nfs/dbraw/zinc/89/19/71/570891971.db2.gz JVSRYIVWHGKDBT-QGZVFWFLSA-N 1 0 363.523 3.606 50 0 FHAARO CC1(C)Cc2c3c(ncn4nc(-c5ccccn5)nc34)sc2C(C)(C)[NH2+]1 ZINC000019901295 570905771 /nfs/dbraw/zinc/90/57/71/570905771.db2.gz YPEMCNWUQOHBQJ-UHFFFAOYSA-N 1 0 364.478 3.560 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000020574493 570920428 /nfs/dbraw/zinc/92/04/28/570920428.db2.gz NCZRYOGAPQOJBY-CYBMUJFWSA-N 1 0 355.417 3.710 50 0 FHAARO Cn1nc2c(c1NC(=O)c1ccc([C@@H]3CCC[N@@H+]3C3CCC3)s1)CCC2 ZINC000020862176 570925949 /nfs/dbraw/zinc/92/59/49/570925949.db2.gz QEKYVHCYWIKCTH-INIZCTEOSA-N 1 0 370.522 3.912 50 0 FHAARO COc1cc(OC)c(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c(OC)c1 ZINC000022024826 570937807 /nfs/dbraw/zinc/93/78/07/570937807.db2.gz WXSMOZTUNBXGQH-GOSISDBHSA-N 1 0 374.481 3.622 50 0 FHAARO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccccc2-n2cccn2)C1 ZINC000048314889 570945466 /nfs/dbraw/zinc/94/54/66/570945466.db2.gz AIBWXVXKRGBGCT-ROUUACIJSA-N 1 0 369.513 3.752 50 0 FHAARO CCCc1ncc(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cn1 ZINC000022852433 570951626 /nfs/dbraw/zinc/95/16/26/570951626.db2.gz JQEORYDMNVIEMT-NRFANRHFSA-N 1 0 352.526 3.568 50 0 FHAARO CCC[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1 ZINC000022877324 570951767 /nfs/dbraw/zinc/95/17/67/570951767.db2.gz UDAUBGVAJZZYIO-LJQANCHMSA-N 1 0 365.521 3.558 50 0 FHAARO CN(C)c1ncc(CN(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)s1 ZINC000022852422 570951794 /nfs/dbraw/zinc/95/17/94/570951794.db2.gz BAWBOKJCKKKAMT-IBGZPJMESA-N 1 0 372.582 3.738 50 0 FHAARO O=C(CCN1CC[NH+](Cc2cccs2)CC1)Nc1cccc(Cl)c1 ZINC000022933300 570953240 /nfs/dbraw/zinc/95/32/40/570953240.db2.gz RHCYMSZDQOEHTQ-UHFFFAOYSA-N 1 0 363.914 3.548 50 0 FHAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000022935995 570953792 /nfs/dbraw/zinc/95/37/92/570953792.db2.gz YQQSSHJWCKOONX-HXUWFJFHSA-N 1 0 354.494 3.848 50 0 FHAARO O=C1c2cccc3cccc(c23)N1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000023249077 570960998 /nfs/dbraw/zinc/96/09/98/570960998.db2.gz VIOOORJHMKOQEM-UHFFFAOYSA-N 1 0 371.484 3.618 50 0 FHAARO CC[NH+]1CCN(CC(=O)Nc2ccccc2SCc2ccccc2)CC1 ZINC000023304004 570961572 /nfs/dbraw/zinc/96/15/72/570961572.db2.gz ROFZCNSZJKJAHH-UHFFFAOYSA-N 1 0 369.534 3.555 50 0 FHAARO CCN1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000023479850 570964608 /nfs/dbraw/zinc/96/46/08/570964608.db2.gz AAYGRTBBEGXHTF-NRFANRHFSA-N 1 0 361.493 3.508 50 0 FHAARO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(C)o2)c(C(C)(C)C)c1 ZINC000023701624 570966639 /nfs/dbraw/zinc/96/66/39/570966639.db2.gz ILUQASNGZJKJLP-INIZCTEOSA-N 1 0 361.482 3.766 50 0 FHAARO C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccc(-n2cncn2)cc1 ZINC000025364347 570995094 /nfs/dbraw/zinc/99/50/94/570995094.db2.gz GNCZVNKFIINQMT-ZDUSSCGKSA-N 1 0 357.255 3.881 50 0 FHAARO Cc1[nH]c2ccc(C(=O)NC[C@@H](C)[N@@H+]3CCc4ccccc4C3)cc2c1C ZINC000025630335 570998210 /nfs/dbraw/zinc/99/82/10/570998210.db2.gz VNAQAMBMSSVCRJ-OAHLLOKOSA-N 1 0 361.489 3.961 50 0 FHAARO Cc1sc2[nH]c([C@H](C)[NH2+]CCc3c[nH]c4ccccc34)nc(=O)c2c1C ZINC000025776771 571000706 /nfs/dbraw/zinc/00/07/06/571000706.db2.gz NMYMZNBLLIRHTJ-LBPRGKRZSA-N 1 0 366.490 3.976 50 0 FHAARO CC(C)(CNC(=O)CCc1ccccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000025898093 571001108 /nfs/dbraw/zinc/00/11/08/571001108.db2.gz UOITXYFBRHGITN-UHFFFAOYSA-N 1 0 354.469 3.711 50 0 FHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(Br)o1 ZINC000027604456 571016159 /nfs/dbraw/zinc/01/61/59/571016159.db2.gz BLAKJTVVWPWXRO-NSHDSACASA-N 1 0 369.284 3.671 50 0 FHAARO O=C(COc1ccc(F)cc1)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027741228 571019370 /nfs/dbraw/zinc/01/93/70/571019370.db2.gz TUMRGTAPDWZFPI-KRWDZBQOSA-N 1 0 362.470 3.609 50 0 FHAARO CCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027989942 571024841 /nfs/dbraw/zinc/02/48/41/571024841.db2.gz LJXXZBUAYCZSKR-FQEVSTJZSA-N 1 0 352.478 3.961 50 0 FHAARO Cc1cccc(NC[C@@H]2CC[N@H+](CCCc3nc4ccccc4o3)C2)n1 ZINC000225542323 571044496 /nfs/dbraw/zinc/04/44/96/571044496.db2.gz VCMRGPARVWQNRV-KRWDZBQOSA-N 1 0 350.466 3.898 50 0 FHAARO CCOC(=O)N1CCC([NH2+]Cc2nc(-c3ccccc3F)cs2)CC1 ZINC000225636774 571051583 /nfs/dbraw/zinc/05/15/83/571051583.db2.gz IXJGBBZECIRHOD-UHFFFAOYSA-N 1 0 363.458 3.660 50 0 FHAARO CC[N@H+](C)C[C@@H]1CCN(c2nc3c(Cl)c(C)nn3c3ccccc32)C1 ZINC000072302151 571055376 /nfs/dbraw/zinc/05/53/76/571055376.db2.gz XXEDLHIRKOECIU-AWEZNQCLSA-N 1 0 357.889 3.622 50 0 FHAARO CC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000072305275 571061643 /nfs/dbraw/zinc/06/16/43/571061643.db2.gz XJJBWQQJHGVOFC-QWHCGFSZSA-N 1 0 358.313 3.594 50 0 FHAARO COc1cccc(OCCOCC[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000008792458 571062069 /nfs/dbraw/zinc/06/20/69/571062069.db2.gz FQSIMOGMYYIYQY-NRFANRHFSA-N 1 0 356.466 3.713 50 0 FHAARO O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cccc(Oc2ccncc2)c1 ZINC000072307223 571064181 /nfs/dbraw/zinc/06/41/81/571064181.db2.gz AOFXJYYCUKTACU-VQTJNVASSA-N 1 0 362.433 3.984 50 0 FHAARO CCN(CC(=O)NC(=O)Nc1ccc(C)c(C)c1)[C@@H](C)c1cccc(O)c1 ZINC000072308223 571065444 /nfs/dbraw/zinc/06/54/44/571065444.db2.gz WESAYBPUUGMLGJ-INIZCTEOSA-N 1 0 369.465 3.740 50 0 FHAARO CCOc1cc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)ccc1O ZINC000004613898 571072440 /nfs/dbraw/zinc/07/24/40/571072440.db2.gz PQHPUTSWZOTZMT-UHFFFAOYSA-N 1 0 374.525 3.842 50 0 FHAARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000040087481 571073913 /nfs/dbraw/zinc/07/39/13/571073913.db2.gz WFCSZMVUIYCNAC-GJZGRUSLSA-N 1 0 358.507 3.596 50 0 FHAARO COc1ccc(OC)c2c1CN(c1cc(C)[nH+]c3ccccc31)C[C@@H]2O ZINC000012753827 571077374 /nfs/dbraw/zinc/07/73/74/571077374.db2.gz HGMPWKBENOGLRV-SFHVURJKSA-N 1 0 350.418 3.614 50 0 FHAARO CC1CC[NH+](CCNC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000040108062 571078233 /nfs/dbraw/zinc/07/82/33/571078233.db2.gz NTRBASBQXSAKKK-UHFFFAOYSA-N 1 0 359.695 3.564 50 0 FHAARO CCCNC(=O)c1cccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000040120197 571080609 /nfs/dbraw/zinc/08/06/09/571080609.db2.gz OYPAHBZRFQQBGB-UHFFFAOYSA-N 1 0 374.868 3.541 50 0 FHAARO Cc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1NC(=O)c1ccco1 ZINC000032989068 571083706 /nfs/dbraw/zinc/08/37/06/571083706.db2.gz HLAPCWSNJKUZJU-UHFFFAOYSA-N 1 0 371.481 3.689 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@H](C)[N@H+]3C[C@H](C)C[C@H](C)C3)no2)cc1 ZINC000227156160 571086465 /nfs/dbraw/zinc/08/64/65/571086465.db2.gz AAHHKUZURBSFGS-BBWFWOEESA-N 1 0 355.482 3.746 50 0 FHAARO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000069444329 571098346 /nfs/dbraw/zinc/09/83/46/571098346.db2.gz ZTKOMLLLZWJKOZ-UHFFFAOYSA-N 1 0 354.494 3.855 50 0 FHAARO C[NH+](C)[C@@H](CNc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000009513525 571111497 /nfs/dbraw/zinc/11/14/97/571111497.db2.gz JJGBOKNBQZQSKO-IBGZPJMESA-N 1 0 358.449 3.530 50 0 FHAARO Cc1cccc(NC(=O)CC[N@@H+](C)Cc2ccc3nsnc3c2)c1C ZINC000244574888 571113433 /nfs/dbraw/zinc/11/34/33/571113433.db2.gz CTCMKMBPPQBRQU-UHFFFAOYSA-N 1 0 354.479 3.769 50 0 FHAARO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](C2CCCCCCC2)CC1 ZINC000054991947 571115368 /nfs/dbraw/zinc/11/53/68/571115368.db2.gz LXVKLYGTFGWTSF-UHFFFAOYSA-N 1 0 370.946 3.759 50 0 FHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cc(Cn3cncn3)c(C)cc2C)c1 ZINC000055099395 571116173 /nfs/dbraw/zinc/11/61/73/571116173.db2.gz JXDAOAGHECKAOS-IBGZPJMESA-N 1 0 363.509 3.710 50 0 FHAARO C[N@H+](CCC(=O)Nc1ccc(F)cc1F)Cc1cc(-c2ccccc2)n[nH]1 ZINC000244788082 571116518 /nfs/dbraw/zinc/11/65/18/571116518.db2.gz QJBOGMLLXSKMNW-UHFFFAOYSA-N 1 0 370.403 3.816 50 0 FHAARO O=C(Cc1ccc(Cl)cc1)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000085473270 571117262 /nfs/dbraw/zinc/11/72/62/571117262.db2.gz GHTZAUMCOLJBBC-SFHVURJKSA-N 1 0 366.958 3.703 50 0 FHAARO C[C@@H](CO)C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1 ZINC000055183151 571117528 /nfs/dbraw/zinc/11/75/28/571117528.db2.gz CFQYBARWCKLQSH-MRXNPFEDSA-N 1 0 353.441 3.846 50 0 FHAARO C[C@@H](Cc1cnccn1)[NH2+]Cc1cnc(-c2ccc3ccccc3c2)nc1 ZINC000055166306 571117552 /nfs/dbraw/zinc/11/75/52/571117552.db2.gz GEECVGYTMUQTHY-INIZCTEOSA-N 1 0 355.445 3.808 50 0 FHAARO CC[C@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1ccccc1Cn1cccn1 ZINC000055402605 571120747 /nfs/dbraw/zinc/12/07/47/571120747.db2.gz HBGMWCZGGFXZPO-JOCHJYFZSA-N 1 0 367.468 3.844 50 0 FHAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cncc(-n3cccn3)n2)C1 ZINC000057984856 571123459 /nfs/dbraw/zinc/12/34/59/571123459.db2.gz HRVMLAIZHCNBHR-KRWDZBQOSA-N 1 0 362.481 3.506 50 0 FHAARO C[N@@H+]1CC[C@@H](NC(=O)NCc2nc(C(C)(C)C)cs2)[C@H]1c1ccccc1 ZINC000179152896 571125029 /nfs/dbraw/zinc/12/50/29/571125029.db2.gz VXIBVZVHNSXEGO-CRAIPNDOSA-N 1 0 372.538 3.685 50 0 FHAARO Cc1cc(Br)cc(C)c1OCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020167208 571125723 /nfs/dbraw/zinc/12/57/23/571125723.db2.gz DTJDPJMEWKKTEO-HUUCEWRRSA-N 1 0 356.304 3.944 50 0 FHAARO C[C@H](CNC(=O)CCCc1nc2ccccc2s1)[NH+]1CCC(C)CC1 ZINC000058159277 571125975 /nfs/dbraw/zinc/12/59/75/571125975.db2.gz QKYHWZYZOHNFAJ-MRXNPFEDSA-N 1 0 359.539 3.856 50 0 FHAARO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1F ZINC000058157124 571126003 /nfs/dbraw/zinc/12/60/03/571126003.db2.gz DFXHUZNTJCHERP-UHFFFAOYSA-N 1 0 360.454 3.635 50 0 FHAARO COc1cccc([C@@H](C[NH2+]Cc2ccc(OC)c(F)c2)N2CCCC2)c1 ZINC000071810636 571126155 /nfs/dbraw/zinc/12/61/55/571126155.db2.gz KFOWYOIFKMLISG-HXUWFJFHSA-N 1 0 358.457 3.770 50 0 FHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000012825368 571126857 /nfs/dbraw/zinc/12/68/57/571126857.db2.gz FNEOONRMPYPTGL-UHFFFAOYSA-N 1 0 360.404 3.814 50 0 FHAARO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000071853514 571127543 /nfs/dbraw/zinc/12/75/43/571127543.db2.gz OIDQUTYCRQQDJS-SFHVURJKSA-N 1 0 368.546 3.987 50 0 FHAARO CC[C@H](CO)[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248174812 571128200 /nfs/dbraw/zinc/12/82/00/571128200.db2.gz VEOSJIDKCOQXJU-GOSISDBHSA-N 1 0 370.884 3.507 50 0 FHAARO COc1cccc(NC(=O)N2CCC(C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000015830982 571130775 /nfs/dbraw/zinc/13/07/75/571130775.db2.gz LRYRVFZWWJUOHC-IRXDYDNUSA-N 1 0 359.514 3.917 50 0 FHAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000058325563 571131025 /nfs/dbraw/zinc/13/10/25/571131025.db2.gz GHWSVKMPSOIGHC-OAHLLOKOSA-N 1 0 359.470 3.580 50 0 FHAARO Cc1cn2c(C[NH2+]Cc3cccc(Cn4cccn4)c3)c(C)nc2s1 ZINC000058418870 571132974 /nfs/dbraw/zinc/13/29/74/571132974.db2.gz QDXMFHPLCPGKNQ-UHFFFAOYSA-N 1 0 351.479 3.547 50 0 FHAARO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(F)c(Cl)c2)no1 ZINC000252499438 571133296 /nfs/dbraw/zinc/13/32/96/571133296.db2.gz SAPMYKBETNLQEL-MRXNPFEDSA-N 1 0 351.809 3.941 50 0 FHAARO O=C(CC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1COC2(C1)CCCCC2 ZINC000252499312 571133315 /nfs/dbraw/zinc/13/33/15/571133315.db2.gz RYPPHOYQLRNOSZ-OAQYLSRUSA-N 1 0 370.537 3.897 50 0 FHAARO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(F)c(Cl)c2)no1 ZINC000252499437 571133466 /nfs/dbraw/zinc/13/34/66/571133466.db2.gz SAPMYKBETNLQEL-INIZCTEOSA-N 1 0 351.809 3.941 50 0 FHAARO COc1ccc(C[N@H+](C)Cc2cc(=O)c3ccc(C)c(C)c3[nH]2)cc1OC ZINC000015862329 571138947 /nfs/dbraw/zinc/13/89/47/571138947.db2.gz UGEQEKOUQWPNMU-UHFFFAOYSA-N 1 0 366.461 3.794 50 0 FHAARO CCCCCOc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 ZINC000015880105 571140781 /nfs/dbraw/zinc/14/07/81/571140781.db2.gz NIUSOGXQXRZXQK-UHFFFAOYSA-N 1 0 359.495 3.952 50 0 FHAARO CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000065365112 571142057 /nfs/dbraw/zinc/14/20/57/571142057.db2.gz LGIPAWIAACDHJH-OAQYLSRUSA-N 1 0 367.493 3.543 50 0 FHAARO Cc1nc2ccc(Cl)cn2c1C[N@H+](C)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000065373913 571142081 /nfs/dbraw/zinc/14/20/81/571142081.db2.gz WVFSWDKDGWAXPP-OAHLLOKOSA-N 1 0 374.916 3.519 50 0 FHAARO Cc1sc2nc(CC[NH3+])nc(NC[C@H]3OCCc4ccccc43)c2c1C ZINC000065374785 571142578 /nfs/dbraw/zinc/14/25/78/571142578.db2.gz NIRNLGSOPUBWRA-MRXNPFEDSA-N 1 0 368.506 3.535 50 0 FHAARO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1cccc(C(=O)Nc2cccnc2)c1 ZINC000065380604 571142612 /nfs/dbraw/zinc/14/26/12/571142612.db2.gz LKFBFOCIRMOEFR-KRWDZBQOSA-N 1 0 360.461 3.792 50 0 FHAARO CC1(C)CC(Nc2cc(C(=O)NC3CC3)c3ccccc3n2)CC(C)(C)[NH2+]1 ZINC000012901348 571143143 /nfs/dbraw/zinc/14/31/43/571143143.db2.gz SHOADDAMHOGEEO-UHFFFAOYSA-N 1 0 366.509 3.848 50 0 FHAARO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000012904179 571143433 /nfs/dbraw/zinc/14/34/33/571143433.db2.gz ZKNXELADMUUNSD-HNNXBMFYSA-N 1 0 352.261 3.791 50 0 FHAARO CCc1nn(C)c(NC(=O)c2cccc(C[N@@H+]3CCC[C@@H]3C)c2)c1CC ZINC000065467726 571143704 /nfs/dbraw/zinc/14/37/04/571143704.db2.gz IFKDHGJZRBYOLS-HNNXBMFYSA-N 1 0 354.498 3.782 50 0 FHAARO COc1ccc(-n2cc(C3=CC[N@H+](Cc4c(C)noc4C)CC3)cn2)cc1 ZINC000065455450 571143848 /nfs/dbraw/zinc/14/38/48/571143848.db2.gz YDGFHSFXEQDQID-UHFFFAOYSA-N 1 0 364.449 3.775 50 0 FHAARO COc1cc(C[NH+]2CCC(c3cc(C(C)C)n[nH]3)CC2)cc2c1OCO2 ZINC000067490920 571146958 /nfs/dbraw/zinc/14/69/58/571146958.db2.gz WBKHDQZEJFRHFW-UHFFFAOYSA-N 1 0 357.454 3.650 50 0 FHAARO COc1cc(C[NH+]2CCCC2)ccc1Oc1cc(-c2nc(C)no2)ccn1 ZINC000067489638 571146962 /nfs/dbraw/zinc/14/69/62/571146962.db2.gz LTMYZUNHLFKVFN-UHFFFAOYSA-N 1 0 366.421 3.837 50 0 FHAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]C3CCCCCC3)C2=O)cc1 ZINC000067473109 571147027 /nfs/dbraw/zinc/14/70/27/571147027.db2.gz RQOWMNVKYVLHCL-QHCPKHFHSA-N 1 0 372.553 3.976 50 0 FHAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C[C@@H]1CCC[N@H+]1C)CCO2 ZINC000067675845 571148060 /nfs/dbraw/zinc/14/80/60/571148060.db2.gz KLUUKGAXRNIZBO-IBGZPJMESA-N 1 0 352.478 3.656 50 0 FHAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]C3CCCCC3)C2=O)cc1 ZINC000067675155 571148223 /nfs/dbraw/zinc/14/82/23/571148223.db2.gz DQAWPVWLTGRNPC-JOCHJYFZSA-N 1 0 358.526 3.586 50 0 FHAARO Cc1[nH]c2ccc(CNC(=O)[C@H]3CCC[N@H+](Cc4ccco4)C3)cc2c1C ZINC000067714799 571148785 /nfs/dbraw/zinc/14/87/85/571148785.db2.gz RTINQJWUDLQRCB-SFHVURJKSA-N 1 0 365.477 3.906 50 0 FHAARO [NH3+]CCCCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067725855 571148804 /nfs/dbraw/zinc/14/88/04/571148804.db2.gz FBTDJFBLHPNOQA-UHFFFAOYSA-N 1 0 374.868 3.563 50 0 FHAARO CCC[C@@H]1C=CC[N@@H+]1Cc1ccc(C(=O)Nc2c(C)cc(=O)[nH]c2C)cc1 ZINC000067723232 571148815 /nfs/dbraw/zinc/14/88/15/571148815.db2.gz MJZYJAGUMCKQLF-LJQANCHMSA-N 1 0 365.477 3.785 50 0 FHAARO O=C(Nc1ccccc1O)C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000012934874 571149879 /nfs/dbraw/zinc/14/98/79/571149879.db2.gz QLXSWOSDYAQQTG-UHFFFAOYSA-N 1 0 372.440 3.651 50 0 FHAARO Cc1nccc(NCc2nc(-c3ccccn3)c(-c3cccc(F)c3)[nH]2)n1 ZINC000067856132 571150516 /nfs/dbraw/zinc/15/05/16/571150516.db2.gz AGKPGUCBKMHVIF-UHFFFAOYSA-N 1 0 360.396 3.988 50 0 FHAARO COc1ccc(-c2nc(CN3CC[C@@H]([NH+](C)C)C3)c(C)o2)c2ccccc12 ZINC000067935158 571152128 /nfs/dbraw/zinc/15/21/28/571152128.db2.gz GIDMERUCSBICHG-MRXNPFEDSA-N 1 0 365.477 3.948 50 0 FHAARO C[N@H+](Cc1ccsc1)C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067947456 571152167 /nfs/dbraw/zinc/15/21/67/571152167.db2.gz PYAKUELXIFZJEU-HXUWFJFHSA-N 1 0 364.555 3.504 50 0 FHAARO Cc1nn(-c2ccccc2)c(N)c1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000067981827 571152911 /nfs/dbraw/zinc/15/29/11/571152911.db2.gz YNPDSNNDOPZSRZ-QGZVFWFLSA-N 1 0 362.477 3.823 50 0 FHAARO Cc1cc(C(=O)NCc2cn3cc(C)ccc3n2)c(C)n1Cc1ccco1 ZINC000060403302 571154396 /nfs/dbraw/zinc/15/43/96/571154396.db2.gz VNTOWKGXVQNQQE-UHFFFAOYSA-N 1 0 362.433 3.632 50 0 FHAARO CC[NH+](CC)[C@H](C(=O)Nc1cc(NC(C)=O)ccc1C)c1ccccc1 ZINC000075108849 571155782 /nfs/dbraw/zinc/15/57/82/571155782.db2.gz MYYCHNWHGXSIOU-FQEVSTJZSA-N 1 0 353.466 3.975 50 0 FHAARO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000075110416 571156065 /nfs/dbraw/zinc/15/60/65/571156065.db2.gz FLIAMOHAZDJUPX-JBEBIEQOSA-N 1 0 366.914 3.561 50 0 FHAARO COc1cc(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)cc(Cl)c1O ZINC000071497691 571162714 /nfs/dbraw/zinc/16/27/14/571162714.db2.gz QNRYRPNPKWPOFH-GOSISDBHSA-N 1 0 366.933 3.997 50 0 FHAARO Cc1ccc(F)cc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071575107 571163029 /nfs/dbraw/zinc/16/30/29/571163029.db2.gz JAKFZACUCVGEFG-BHDDXSALSA-N 1 0 364.464 3.837 50 0 FHAARO CC(C)[C@@H]1C[N@H+](Cc2cccc(O)c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071721418 571163816 /nfs/dbraw/zinc/16/38/16/571163816.db2.gz DCRDUSBZBFZHBZ-NRFANRHFSA-N 1 0 370.468 3.790 50 0 FHAARO C[C@@H]1CCC[N@@H+]1Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000071745945 571164339 /nfs/dbraw/zinc/16/43/39/571164339.db2.gz RNOYQCLNFYGCEG-QGZVFWFLSA-N 1 0 362.477 3.591 50 0 FHAARO CCCNC(=O)c1ccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)nc1 ZINC000071752406 571164826 /nfs/dbraw/zinc/16/48/26/571164826.db2.gz CHLZYFUOAJKJEY-LJQANCHMSA-N 1 0 367.493 3.669 50 0 FHAARO COc1ccnc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1 ZINC000071776374 571166547 /nfs/dbraw/zinc/16/65/47/571166547.db2.gz SVTUKWAVMGNGCK-JOCHJYFZSA-N 1 0 371.500 3.962 50 0 FHAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)NCc3ccco3)C2)cc1 ZINC000072128432 571170817 /nfs/dbraw/zinc/17/08/17/571170817.db2.gz SZXYILNYHPPISZ-FQEVSTJZSA-N 1 0 369.509 3.942 50 0 FHAARO c1cn(C[C@@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)cn1 ZINC000072141769 571171907 /nfs/dbraw/zinc/17/19/07/571171907.db2.gz IDVBGUKGIHSSRQ-HXUWFJFHSA-N 1 0 362.477 3.769 50 0 FHAARO CCc1ncc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000072140206 571172057 /nfs/dbraw/zinc/17/20/57/571172057.db2.gz LVHSNTUDDBFTCF-UHFFFAOYSA-N 1 0 372.516 3.946 50 0 FHAARO COc1ccc(C(=O)NC[C@@H](c2cc3ccccc3o2)[NH+](C)C)cc1F ZINC000575620598 571172857 /nfs/dbraw/zinc/17/28/57/571172857.db2.gz LEQIRMXUOBZMKI-INIZCTEOSA-N 1 0 356.397 3.613 50 0 FHAARO C[NH+]1CCC(O)(Cn2ccnc2-c2ccc(-c3ccccc3)s2)CC1 ZINC000072149786 571174021 /nfs/dbraw/zinc/17/40/21/571174021.db2.gz XXWZEAYLGGDXOQ-UHFFFAOYSA-N 1 0 353.491 3.735 50 0 FHAARO O=C1CCCN1CC[C@H]1CCCC[N@H+]1Cc1nc2cc(Cl)ccc2o1 ZINC000072148805 571174057 /nfs/dbraw/zinc/17/40/57/571174057.db2.gz ILTAGXUMWNKXAX-OAHLLOKOSA-N 1 0 361.873 3.848 50 0 FHAARO COc1c[nH]c(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)cc1=O ZINC000072153183 571174741 /nfs/dbraw/zinc/17/47/41/571174741.db2.gz QIEBKCXJZHYOJK-CQSZACIVSA-N 1 0 362.420 3.919 50 0 FHAARO c1cnn(Cc2cccc(C[N@H+]3CCC[C@@H](OCc4cccnc4)C3)c2)c1 ZINC000072158169 571175366 /nfs/dbraw/zinc/17/53/66/571175366.db2.gz KVZIZXGLFQRAOO-JOCHJYFZSA-N 1 0 362.477 3.508 50 0 FHAARO Fc1ccc(N2CCC[N@H+](Cc3cnc(-c4ccco4)nc3)CC2)cc1 ZINC000072159217 571175617 /nfs/dbraw/zinc/17/56/17/571175617.db2.gz ZLEIVAHIIOFXSB-UHFFFAOYSA-N 1 0 352.413 3.588 50 0 FHAARO Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)c(F)c1 ZINC000072161191 571175689 /nfs/dbraw/zinc/17/56/89/571175689.db2.gz UIRXNLWLIYVJKX-MDNUFGMLSA-N 1 0 366.480 3.902 50 0 FHAARO Oc1cccc([C@@H]2C[N@H+](C/C=C/c3ccccc3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072161737 571175784 /nfs/dbraw/zinc/17/57/84/571175784.db2.gz LSTMYYMIBBKPBG-DDAQEBKQSA-N 1 0 360.501 3.968 50 0 FHAARO c1nc(-c2ccccc2)sc1C[N@H+]1CCCN(Cc2ccncc2)CC1 ZINC000072164722 571176457 /nfs/dbraw/zinc/17/64/57/571176457.db2.gz PPVAXAPGCUPRSG-UHFFFAOYSA-N 1 0 364.518 3.913 50 0 FHAARO c1ccc2[nH]c(C[C@@H]3CCC[N@H+](Cc4cccc5nccnc45)C3)nc2c1 ZINC000072168796 571177450 /nfs/dbraw/zinc/17/74/50/571177450.db2.gz LIDILUUWTVWVBW-INIZCTEOSA-N 1 0 357.461 3.961 50 0 FHAARO Cc1nc(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc(=O)[nH]1 ZINC000072172749 571177716 /nfs/dbraw/zinc/17/77/16/571177716.db2.gz NNBGEFBUJWWCMY-UHFFFAOYSA-N 1 0 351.372 3.889 50 0 FHAARO CC(C)(C)OC(=O)N1CCC([NH3+])(c2ccc(Br)cc2)CC1 ZINC000072194192 571178003 /nfs/dbraw/zinc/17/80/03/571178003.db2.gz TYRPHFVVJIVRRC-UHFFFAOYSA-N 1 0 355.276 3.634 50 0 FHAARO Cc1nc([C@]2(O)CCC[NH2+]CC2)sc1CCOc1ccccc1Cl ZINC000072343625 571179793 /nfs/dbraw/zinc/17/97/93/571179793.db2.gz MTNGFLBZWDVPFH-SFHVURJKSA-N 1 0 366.914 3.688 50 0 FHAARO O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000003359725 571181917 /nfs/dbraw/zinc/18/19/17/571181917.db2.gz YITGGRZZIXVZEW-KRWDZBQOSA-N 1 0 362.857 3.655 50 0 FHAARO [NH3+]CCN1C(=O)S/C(=C/c2ccc(F)c(Oc3ccccc3)c2)C1=O ZINC000003620452 571186193 /nfs/dbraw/zinc/18/61/93/571186193.db2.gz UWFKEKMWTADQDQ-LFIBNONCSA-N 1 0 358.394 3.613 50 0 FHAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000072406798 571191166 /nfs/dbraw/zinc/19/11/66/571191166.db2.gz FAUPVSZSEWOXGC-MRXNPFEDSA-N 1 0 365.399 3.949 50 0 FHAARO CCCn1cc(-c2ccncc2)cc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000075509136 571191762 /nfs/dbraw/zinc/19/17/62/571191762.db2.gz SZMOCEPERXTMFY-QGZVFWFLSA-N 1 0 354.498 3.564 50 0 FHAARO CCC[C@@H](C)N1CC2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)OC1=O ZINC000072422243 571193567 /nfs/dbraw/zinc/19/35/67/571193567.db2.gz NFJFGYSNBSJYCR-OAHLLOKOSA-N 1 0 372.469 3.645 50 0 FHAARO O=C(Nc1ccccc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072423769 571193947 /nfs/dbraw/zinc/19/39/47/571193947.db2.gz BXVPVMLJSDBRAI-PWRODBHTSA-N 1 0 365.452 3.920 50 0 FHAARO O=C(Nc1cccc(OCCCc2ccccc2)c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000299765876 571194636 /nfs/dbraw/zinc/19/46/36/571194636.db2.gz YUUUCEAAYCFRND-GHTZIAJQSA-N 1 0 365.477 3.524 50 0 FHAARO c1coc(-c2ncc(C[N@@H+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)cn2)c1 ZINC000072430571 571195394 /nfs/dbraw/zinc/19/53/94/571195394.db2.gz KVBLXNMDQUCIPR-INIZCTEOSA-N 1 0 359.433 3.993 50 0 FHAARO CCc1oc2c(cccc2NC(=O)CCc2cc3n(n2)CCC[NH2+]C3)c1C ZINC000072438899 571196772 /nfs/dbraw/zinc/19/67/72/571196772.db2.gz ZZYKVEJWMAUYFT-UHFFFAOYSA-N 1 0 366.465 3.565 50 0 FHAARO Clc1ccccc1C1(c2ccnc(-c3ccncc3)n2)CC[NH2+]CC1 ZINC000072447313 571197083 /nfs/dbraw/zinc/19/70/83/571197083.db2.gz KLZGITIDISNAGI-UHFFFAOYSA-N 1 0 350.853 3.862 50 0 FHAARO CCn1cc(-c2cccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2)cn1 ZINC000299780546 571197956 /nfs/dbraw/zinc/19/79/56/571197956.db2.gz ATIZDOVHIKPSKF-UHFFFAOYSA-N 1 0 366.509 3.661 50 0 FHAARO O=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000299780386 571197989 /nfs/dbraw/zinc/19/79/89/571197989.db2.gz CGZMRYCTNLCVGX-INIZCTEOSA-N 1 0 354.416 3.771 50 0 FHAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccnc3)C2)cc1 ZINC000072468036 571198231 /nfs/dbraw/zinc/19/82/31/571198231.db2.gz DHZZWFXGGMJFLP-NRFANRHFSA-N 1 0 366.505 3.880 50 0 FHAARO CC(C)(C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299782192 571198372 /nfs/dbraw/zinc/19/83/72/571198372.db2.gz ISLCFLPWBFZUTL-GOSISDBHSA-N 1 0 357.885 3.815 50 0 FHAARO CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3cccc(CCC(C)(C)O)c3)C2)C1 ZINC000072475842 571199189 /nfs/dbraw/zinc/19/91/89/571199189.db2.gz HIZXEOWNRPSMNU-HSZRJFAPSA-N 1 0 372.553 3.728 50 0 FHAARO Cc1n[nH]c(C)c1-c1cccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000299786532 571199437 /nfs/dbraw/zinc/19/94/37/571199437.db2.gz LLUMEAFKPQMDPQ-UHFFFAOYSA-N 1 0 366.509 3.784 50 0 FHAARO CCC[C@@H](C)N1CC2(CC[NH+](Cc3ccc4nsnc4c3)CC2)OC1=O ZINC000072479230 571199803 /nfs/dbraw/zinc/19/98/03/571199803.db2.gz HHSVMVWUHUZSFO-CQSZACIVSA-N 1 0 374.510 3.667 50 0 FHAARO COc1ccc(Oc2cccc(C[N@@H+]3CC[C@@]4(CN(C)C(=O)O4)C3)c2)cc1 ZINC000072481074 571200042 /nfs/dbraw/zinc/20/00/42/571200042.db2.gz ZWTUCLKQALSNNA-OAQYLSRUSA-N 1 0 368.433 3.514 50 0 FHAARO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1(c2ccccc2)CCCCC1 ZINC000299791828 571200919 /nfs/dbraw/zinc/20/09/19/571200919.db2.gz DMEDCVQIKMVSNB-NRFANRHFSA-N 1 0 370.537 3.648 50 0 FHAARO CCc1csc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299798778 571202635 /nfs/dbraw/zinc/20/26/35/571202635.db2.gz UPSQYCGDLKWFOH-OTWHNJEPSA-N 1 0 369.534 3.590 50 0 FHAARO COc1cc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)ccc1C ZINC000299798940 571202779 /nfs/dbraw/zinc/20/27/79/571202779.db2.gz URIGMCWVNLCKEL-INIZCTEOSA-N 1 0 357.454 3.630 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC(OCc2ccccc2)C1 ZINC000299802653 571203427 /nfs/dbraw/zinc/20/34/27/571203427.db2.gz VAUMCXRCGLFDQQ-UHFFFAOYSA-N 1 0 364.489 3.714 50 0 FHAARO Cc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000534583465 571205105 /nfs/dbraw/zinc/20/51/05/571205105.db2.gz PPRHPSIFWUYSSD-FQEVSTJZSA-N 1 0 373.541 3.560 50 0 FHAARO C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000534633549 571207064 /nfs/dbraw/zinc/20/70/64/571207064.db2.gz CIXLAQRKEHCTEE-INIZCTEOSA-N 1 0 369.513 3.654 50 0 FHAARO Cc1ccc2nc(C)cc(C(=O)N3CCCN(c4cc[nH+]c(C)c4)CC3)c2c1 ZINC000077357625 571209135 /nfs/dbraw/zinc/20/91/35/571209135.db2.gz NCPWGRUIFIXDAE-UHFFFAOYSA-N 1 0 374.488 3.908 50 0 FHAARO Cc1ccc(-c2cc(C(=O)N(C)C[C@H]3Cc4ccccc4C[N@@H+]3C)[nH]n2)cc1 ZINC000077375554 571209476 /nfs/dbraw/zinc/20/94/76/571209476.db2.gz ZNZIYGDBSMJPPA-HXUWFJFHSA-N 1 0 374.488 3.514 50 0 FHAARO Cn1ncc(Cl)c1C(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077488216 571213344 /nfs/dbraw/zinc/21/33/44/571213344.db2.gz VYUNVKXMPXRPDA-KRWDZBQOSA-N 1 0 360.889 3.503 50 0 FHAARO Cc1ccc(CN(Cc2ccncc2)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000426379730 571216913 /nfs/dbraw/zinc/21/69/13/571216913.db2.gz MZPAFYCAXRLDDC-SFHVURJKSA-N 1 0 372.538 3.505 50 0 FHAARO Cc1cc(C)nc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)n1 ZINC000426414811 571222249 /nfs/dbraw/zinc/22/22/49/571222249.db2.gz VCETYIQNJIRKQC-NRFANRHFSA-N 1 0 372.463 3.864 50 0 FHAARO Cc1cc(C)nc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)n1 ZINC000426414816 571222376 /nfs/dbraw/zinc/22/23/76/571222376.db2.gz VCETYIQNJIRKQC-OAQYLSRUSA-N 1 0 372.463 3.864 50 0 FHAARO CC(C)C(=O)Nc1cc(NC(=O)NCC[NH+](C(C)C)C(C)C)ccc1F ZINC000426429063 571224387 /nfs/dbraw/zinc/22/43/87/571224387.db2.gz YAIHDMOJKRZBPW-UHFFFAOYSA-N 1 0 366.481 3.661 50 0 FHAARO CC(C)=CCC/C(C)=C/C[N@H+]1CCCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082092635 571227868 /nfs/dbraw/zinc/22/78/68/571227868.db2.gz KMVZLEQTMMQEQB-VCHYOVAHSA-N 1 0 373.545 3.553 50 0 FHAARO COc1cc(C)cc(OC)c1-c1ccc2c(c1)OC[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000426494326 571228191 /nfs/dbraw/zinc/22/81/91/571228191.db2.gz PBACVJFKXHIYLU-VGOFRKELSA-N 1 0 369.461 3.569 50 0 FHAARO CSc1ncc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000082121242 571228801 /nfs/dbraw/zinc/22/88/01/571228801.db2.gz JQYCCGBOVYQADQ-SFHVURJKSA-N 1 0 370.522 3.628 50 0 FHAARO Cc1ccc(O)c(-c2cccc(C(=O)N3CCC[C@]4(CC[N@@H+](C)C4)C3)c2)c1 ZINC000426526453 571230146 /nfs/dbraw/zinc/23/01/46/571230146.db2.gz PWOYTHPSGMPUBO-HSZRJFAPSA-N 1 0 364.489 3.926 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc4cccnc43)cc2C)CC1 ZINC000011323983 571232157 /nfs/dbraw/zinc/23/21/57/571232157.db2.gz CQTUIBYVKJASHV-UHFFFAOYSA-N 1 0 374.488 3.937 50 0 FHAARO C[C@H](O)c1cccc(-c2cccc(C(=O)NCC[NH+]3CCCCC3)c2)c1 ZINC000426583887 571232380 /nfs/dbraw/zinc/23/23/80/571232380.db2.gz BCXOULHOKAYYDU-KRWDZBQOSA-N 1 0 352.478 3.623 50 0 FHAARO Cc1cccc(C)c1C(=O)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651573 571233849 /nfs/dbraw/zinc/23/38/49/571233849.db2.gz JXNXKMLRVQPNTO-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO COc1ccc(C(C)(C)NC(=O)N2CCC3(CC2)CCC[N@H+](C)CC3)cc1 ZINC000426652894 571234246 /nfs/dbraw/zinc/23/42/46/571234246.db2.gz LLLZHYIPKJCACO-UHFFFAOYSA-N 1 0 373.541 3.838 50 0 FHAARO O=C(c1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000426677464 571234783 /nfs/dbraw/zinc/23/47/83/571234783.db2.gz LNEWPGZNCILUDO-HXUWFJFHSA-N 1 0 366.509 3.806 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(F)c(OC)c(F)c2)cc1 ZINC000426711959 571236236 /nfs/dbraw/zinc/23/62/36/571236236.db2.gz BOTFEWQYOVTJMR-QGZVFWFLSA-N 1 0 374.431 3.855 50 0 FHAARO C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(-c2cnc3ccccc3n2)c1 ZINC000426712624 571236255 /nfs/dbraw/zinc/23/62/55/571236255.db2.gz KVEMUQNSDUVFIL-INIZCTEOSA-N 1 0 360.461 3.511 50 0 FHAARO CCCN1CCC[C@]2(CC[N@H+](Cc3cc(-c4ccc(C)cc4)no3)C2)C1=O ZINC000091326734 571238979 /nfs/dbraw/zinc/23/89/79/571238979.db2.gz OHBRDWMTWBEYPQ-JOCHJYFZSA-N 1 0 367.493 3.875 50 0 FHAARO Fc1cccc(-c2noc(-c3ccc(NCCC[NH+]4CCCC4)nc3)n2)c1 ZINC000064676921 571238985 /nfs/dbraw/zinc/23/89/85/571238985.db2.gz JXNHWGYZCWWPKE-UHFFFAOYSA-N 1 0 367.428 3.836 50 0 FHAARO O=C(CCC(F)(F)F)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091417003 571239460 /nfs/dbraw/zinc/23/94/60/571239460.db2.gz IPMGOTFMSQUPFT-GOEBONIOSA-N 1 0 358.379 3.591 50 0 FHAARO COc1ccc([C@@H]2C[N@H+](Cc3cc4ccccc4n3C)C[C@H]2N(C)C)cc1 ZINC000091643336 571241570 /nfs/dbraw/zinc/24/15/70/571241570.db2.gz WDVCBMHZHDVTKI-JTHBVZDNSA-N 1 0 363.505 3.717 50 0 FHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000006871409 571252002 /nfs/dbraw/zinc/25/20/02/571252002.db2.gz ASDVXVUZWAEKFS-UHFFFAOYSA-N 1 0 354.450 3.746 50 0 FHAARO C[C@H]1CCCCN1Cc1nnc2cc(-c3nc(-c4ccccc4)no3)ccn21 ZINC000169777106 571253391 /nfs/dbraw/zinc/25/33/91/571253391.db2.gz UYHDEHJXIRIDDD-HNNXBMFYSA-N 1 0 374.448 3.821 50 0 FHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000065539646 571264596 /nfs/dbraw/zinc/26/45/96/571264596.db2.gz PYMXNNIMDSDOCG-JXXFODFXSA-N 1 0 369.509 3.513 50 0 FHAARO CC(C)CC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000065575236 571264892 /nfs/dbraw/zinc/26/48/92/571264892.db2.gz FRAXRXBCAMNMCQ-INIZCTEOSA-N 1 0 359.495 3.997 50 0 FHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@](C)(c2nc(-c3ccccc3)no2)C1 ZINC000075876550 571272475 /nfs/dbraw/zinc/27/24/75/571272475.db2.gz OPWBNEGYMKTRBO-FQEVSTJZSA-N 1 0 352.438 3.895 50 0 FHAARO C[C@@H]1[C@H]([NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)C[C@H]1c1ccccc1 ZINC000252487007 571280605 /nfs/dbraw/zinc/28/06/05/571280605.db2.gz RFXOPPJGKVXIGQ-HRQSHJORSA-N 1 0 351.494 3.589 50 0 FHAARO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1cc[nH]n1 ZINC000252492526 571281024 /nfs/dbraw/zinc/28/10/24/571281024.db2.gz MOMJZCWIENVEMG-ZDUSSCGKSA-N 1 0 364.287 3.571 50 0 FHAARO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000252500156 571281254 /nfs/dbraw/zinc/28/12/54/571281254.db2.gz SNYRFTQHNUKHKS-QFIPXVFZSA-N 1 0 358.526 3.686 50 0 FHAARO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000252500087 571281283 /nfs/dbraw/zinc/28/12/83/571281283.db2.gz SMZPVVZAKAOJGV-INIZCTEOSA-N 1 0 369.513 3.738 50 0 FHAARO CC[C@@H](C)n1ncc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1C ZINC000252508650 571281470 /nfs/dbraw/zinc/28/14/70/571281470.db2.gz XQGSBWCJBGCBHX-OAHLLOKOSA-N 1 0 372.488 3.696 50 0 FHAARO C[NH2+]C[C@@H](C)CNC(=O)Cc1c(C)c2ccccc2nc1-c1ccccc1 ZINC000170676980 571285112 /nfs/dbraw/zinc/28/51/12/571285112.db2.gz MHLHQKFORNQIBY-MRXNPFEDSA-N 1 0 361.489 3.724 50 0 FHAARO CCOC1CC(C[N@@H+]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)C1 ZINC000253417434 571312743 /nfs/dbraw/zinc/31/27/43/571312743.db2.gz MRKXPHUSRZCYAR-PGYGNJIDSA-N 1 0 359.514 3.644 50 0 FHAARO COC(=O)C[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000253425826 571313086 /nfs/dbraw/zinc/31/30/86/571313086.db2.gz DVYKOOSYMOJZMU-AWEZNQCLSA-N 1 0 359.388 3.793 50 0 FHAARO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000253430273 571313373 /nfs/dbraw/zinc/31/33/73/571313373.db2.gz VXMIVUOBWZQDPM-CQSZACIVSA-N 1 0 359.388 3.793 50 0 FHAARO CC[N@@H+]1C[C@H](NC(=O)c2ccc(-c3cc(C)ccc3Cl)cc2)[C@@H](OC)C1 ZINC000584894136 571315057 /nfs/dbraw/zinc/31/50/57/571315057.db2.gz QEVXVDGGBPZMDA-PMACEKPBSA-N 1 0 372.896 3.764 50 0 FHAARO Cc1c[nH+]ccc1N1CCCN(C(=O)NCC[C@H](C)c2ccccc2)CC1 ZINC000584899146 571315937 /nfs/dbraw/zinc/31/59/37/571315937.db2.gz QHFBTABUYRWIDX-SFHVURJKSA-N 1 0 366.509 3.806 50 0 FHAARO Oc1cccc(C[N@H+](Cc2cnc3ccccc3n2)[C@H]2CC[C@H](O)CC2)c1 ZINC000585094508 571320455 /nfs/dbraw/zinc/32/04/55/571320455.db2.gz VFXWMMPACAXZLD-WGSAOQKQSA-N 1 0 363.461 3.641 50 0 FHAARO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC(F)F)cc2F)C1 ZINC000585101481 571320556 /nfs/dbraw/zinc/32/05/56/571320556.db2.gz XJFQRTZZJRPMFJ-NSHDSACASA-N 1 0 359.392 3.669 50 0 FHAARO CCOC(=O)C1CCC(N2CC[NH+](C3CCC(C(C)C)CC3)CC2)CC1 ZINC000093811069 571327195 /nfs/dbraw/zinc/32/71/95/571327195.db2.gz ODUZKKMBZNSFLD-UHFFFAOYSA-N 1 0 364.574 3.941 50 0 FHAARO OCC[C@@H]1C[N@@H+](C2C3CC4CC(C3)CC2C4)CCN1Cc1ccccc1F ZINC000020256393 571328674 /nfs/dbraw/zinc/32/86/74/571328674.db2.gz SRNVUIJSEVIXHX-QXIGDHTLSA-N 1 0 372.528 3.519 50 0 FHAARO Cc1ccc2c(c1)-c1onc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c1CO2 ZINC000020510101 571330259 /nfs/dbraw/zinc/33/02/59/571330259.db2.gz BEGDUAZKAILFFP-HNNXBMFYSA-N 1 0 369.465 3.537 50 0 FHAARO Cc1ccc2c(c1)-c1onc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c1CO2 ZINC000020510098 571330274 /nfs/dbraw/zinc/33/02/74/571330274.db2.gz BEGDUAZKAILFFP-OAHLLOKOSA-N 1 0 369.465 3.537 50 0 FHAARO Cc1nc(CC[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cs1 ZINC000095466842 571330509 /nfs/dbraw/zinc/33/05/09/571330509.db2.gz XHYFVWTWLJOQTR-BBRMVZONSA-N 1 0 353.532 3.762 50 0 FHAARO CCc1c(C)sc2c1CC[N@H+](CC(=O)NC1CC1)[C@H]2c1ccccc1 ZINC000021045777 571332316 /nfs/dbraw/zinc/33/23/16/571332316.db2.gz BMNZMHVDCVTSEO-FQEVSTJZSA-N 1 0 354.519 3.845 50 0 FHAARO Cc1ccccc1Cn1cc(CCC(=O)NCC[NH+](C)C)c2ccccc21 ZINC000021527966 571334934 /nfs/dbraw/zinc/33/49/34/571334934.db2.gz NFADLIBPZOMHOR-UHFFFAOYSA-N 1 0 363.505 3.608 50 0 FHAARO C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000055739646 571338452 /nfs/dbraw/zinc/33/84/52/571338452.db2.gz RHXLVMGGCDZVAD-SFHVURJKSA-N 1 0 358.869 3.698 50 0 FHAARO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC2CCCC2)cc1 ZINC000028877803 571341252 /nfs/dbraw/zinc/34/12/52/571341252.db2.gz AIJWKZCRCIIXAR-HZPDHXFCSA-N 1 0 359.514 3.693 50 0 FHAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)C[C@H]3CCCO3)CC2)c(C)c1 ZINC000003058300 571344396 /nfs/dbraw/zinc/34/43/96/571344396.db2.gz QPGONMKIQIDGEX-GOSISDBHSA-N 1 0 361.555 3.575 50 0 FHAARO CC1(C)CC(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC(C)(C)[NH2+]1 ZINC000057799096 571345468 /nfs/dbraw/zinc/34/54/68/571345468.db2.gz NAPLUWKXHNOBLK-UHFFFAOYSA-N 1 0 360.889 3.769 50 0 FHAARO CC(C)[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1F)c1ccc(F)cc1 ZINC000057830408 571345522 /nfs/dbraw/zinc/34/55/22/571345522.db2.gz VUTSHHNHGZWZPQ-GOSISDBHSA-N 1 0 361.392 3.600 50 0 FHAARO Cc1oc(C(=O)NCCC2CC[NH+](C)CC2)cc1COc1ccc(C)cc1 ZINC000670437312 571347090 /nfs/dbraw/zinc/34/70/90/571347090.db2.gz VZNCNCSCZISFAP-UHFFFAOYSA-N 1 0 370.493 3.937 50 0 FHAARO Cc1cc(C)c(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000003328756 571347496 /nfs/dbraw/zinc/34/74/96/571347496.db2.gz WELLYVBRSXVJIV-UHFFFAOYSA-N 1 0 372.534 3.555 50 0 FHAARO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-c2cc[nH]n2)cc1 ZINC000670459842 571356727 /nfs/dbraw/zinc/35/67/27/571356727.db2.gz XBDUZCUIJIXOCP-KRWDZBQOSA-N 1 0 366.490 3.533 50 0 FHAARO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000004315070 571357865 /nfs/dbraw/zinc/35/78/65/571357865.db2.gz PUSTVNDUQKXDSU-UHFFFAOYSA-N 1 0 362.477 3.998 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)CC1 ZINC000008191728 571359784 /nfs/dbraw/zinc/35/97/84/571359784.db2.gz CCEAAEVZVSJTQW-UHFFFAOYSA-N 1 0 374.488 3.872 50 0 FHAARO OC[C@@]1(Cc2ccccc2F)CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000015061549 928517467 /nfs/dbraw/zinc/51/74/67/928517467.db2.gz WQHWPHBDGVKKQL-HXUWFJFHSA-N 1 0 371.481 3.648 50 0 FHAARO CC1(C)Cc2cccc(C[NH2+]C3CCN(Cc4ccccn4)CC3)c2O1 ZINC000161688170 937399610 /nfs/dbraw/zinc/39/96/10/937399610.db2.gz ROVDFWIOAUDUFL-UHFFFAOYSA-N 1 0 351.494 3.549 50 0 FHAARO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OCc1cccnc1 ZINC000160622537 931109721 /nfs/dbraw/zinc/10/97/21/931109721.db2.gz CLXYRGARKYJXTH-SFHVURJKSA-N 1 0 356.466 3.716 50 0 FHAARO Cc1cc(C[NH2+]C2CCN(c3cccc(-c4cscn4)c3)CC2)no1 ZINC000023380101 940303586 /nfs/dbraw/zinc/30/35/86/940303586.db2.gz WWSMJNAFYPXSTD-UHFFFAOYSA-N 1 0 354.479 3.865 50 0 FHAARO Cc1ccc([C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)C2)c(C)c1 ZINC000333288851 945319371 /nfs/dbraw/zinc/31/93/71/945319371.db2.gz IZEAIADORFZKPZ-AEFFLSMTSA-N 1 0 364.493 3.536 50 0 FHAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)COc2ccc(F)cc2)CC1 ZINC000581788014 940599289 /nfs/dbraw/zinc/59/92/89/940599289.db2.gz OHCPJMROHDTYES-LJQANCHMSA-N 1 0 362.489 3.708 50 0 FHAARO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc3c(s2)CCCCC3)CC1 ZINC000019744429 941845205 /nfs/dbraw/zinc/84/52/05/941845205.db2.gz JPISGVSHFSFVJA-IBGZPJMESA-N 1 0 359.539 3.696 50 0 FHAARO c1[nH]nc(C2CCCCC2)c1C[NH2+][C@H]1CCCN(Cc2ccccn2)C1 ZINC000020351319 941882647 /nfs/dbraw/zinc/88/26/47/941882647.db2.gz HKOAKDSWIBBFMH-FQEVSTJZSA-N 1 0 353.514 3.607 50 0 FHAARO Fc1cnccc1C[N@@H+]1CCC[C@H](CCc2nc(-c3cccnc3)no2)C1 ZINC000257174890 942454262 /nfs/dbraw/zinc/45/42/62/942454262.db2.gz LRNDTLPPWJMEQN-OAHLLOKOSA-N 1 0 367.428 3.511 50 0 FHAARO O[C@]1(c2ccccn2)CCOC2(CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000257174532 942462400 /nfs/dbraw/zinc/46/24/00/942462400.db2.gz HXOHSUBWQVBKAQ-OAQYLSRUSA-N 1 0 372.896 3.768 50 0 FHAARO CC1(C)CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CC[C@H]1[NH3+] ZINC000261840743 942631146 /nfs/dbraw/zinc/63/11/46/942631146.db2.gz LPUFWLIDUCJXGM-OAHLLOKOSA-N 1 0 354.416 3.713 50 0 FHAARO O=C(Nc1ccccc1)N1CCC(C[NH+]2CCC3(CCCCO3)CC2)CC1 ZINC000675018715 943634336 /nfs/dbraw/zinc/63/43/36/943634336.db2.gz ADXQXOOKMZZFDX-UHFFFAOYSA-N 1 0 371.525 3.966 50 0 FHAARO O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000888088554 948005650 /nfs/dbraw/zinc/00/56/50/948005650.db2.gz FVNHWIKUQVVLRX-WBVHZDCISA-N 1 0 370.415 3.508 50 0 FHAARO Cc1ccccc1N1CC[N@H+](C2CCN(Cc3ccccn3)CC2)[C@@H](C)C1 ZINC000106274767 948126508 /nfs/dbraw/zinc/12/65/08/948126508.db2.gz LDTSFISBNZVSTG-FQEVSTJZSA-N 1 0 364.537 3.565 50 0 FHAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2=O)c1 ZINC000012744827 948228148 /nfs/dbraw/zinc/22/81/48/948228148.db2.gz QUAIQHUXJMVCIF-QFIPXVFZSA-N 1 0 368.477 3.611 50 0 FHAARO CC(C)[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000252535960 209937986 /nfs/dbraw/zinc/93/79/86/209937986.db2.gz HHTKXRMOVBHAQG-HXUWFJFHSA-N 1 0 357.542 3.771 50 0 FHAARO O=C(CC[NH+]1CCC(CCn2cccn2)CC1)Nc1cccc(Cl)c1 ZINC000252481206 209929098 /nfs/dbraw/zinc/92/90/98/209929098.db2.gz CIKYHZHWAXUPAU-UHFFFAOYSA-N 1 0 360.889 3.667 50 0 FHAARO CCO[C@@H](c1ccc(Br)cc1)[C@H]([NH2+]C)C(=O)c1ccccc1 ZINC000061868581 209866491 /nfs/dbraw/zinc/86/64/91/209866491.db2.gz HXBYRMFPYAGPJO-AEFFLSMTSA-N 1 0 362.267 3.998 50 0 FHAARO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)cc1OC ZINC000022074405 209661716 /nfs/dbraw/zinc/66/17/16/209661716.db2.gz JCRKDEKTLUOBLC-UHFFFAOYSA-N 1 0 365.857 3.707 50 0 FHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1 ZINC000237084366 209334280 /nfs/dbraw/zinc/33/42/80/209334280.db2.gz XICUZCCQJZAXJV-OAHLLOKOSA-N 1 0 374.916 3.721 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1cccs1 ZINC000044103188 209313772 /nfs/dbraw/zinc/31/37/72/209313772.db2.gz HKOJPQTYSUIAEO-MRXNPFEDSA-N 1 0 372.494 3.521 50 0 FHAARO COc1cc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)ccc1OCC(=O)N1CCCC1 ZINC000107326526 209275915 /nfs/dbraw/zinc/27/59/15/209275915.db2.gz XLTHLDILRPMXCA-JENIJYKNSA-N 1 0 374.525 3.611 50 0 FHAARO CC[C@@H](C)C(=O)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104320286 209260577 /nfs/dbraw/zinc/26/05/77/209260577.db2.gz TWNPTKFYBPJEQQ-DYESRHJHSA-N 1 0 352.478 3.785 50 0 FHAARO C[C@@H]1C[N@H+](CCC(=O)c2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000102678503 209239381 /nfs/dbraw/zinc/23/93/81/209239381.db2.gz ZQDSJXICMNDKBG-VQIMIIECSA-N 1 0 351.446 3.766 50 0 FHAARO COc1ccccc1-c1cccc(NC(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000097732662 209195710 /nfs/dbraw/zinc/19/57/10/209195710.db2.gz LNOPNUNJCDLAAT-UHFFFAOYSA-N 1 0 353.466 3.920 50 0 FHAARO CCc1nc(C)c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000097679891 209193218 /nfs/dbraw/zinc/19/32/18/209193218.db2.gz VLLGTNOIJOEREN-UHFFFAOYSA-N 1 0 361.873 3.593 50 0 FHAARO CC[NH+]1CCC(C(=O)N[C@H](c2cccnc2)c2cc(C)ccc2C)CC1 ZINC000097698850 209193014 /nfs/dbraw/zinc/19/30/14/209193014.db2.gz YLWWXRAYLSZQOJ-OAQYLSRUSA-N 1 0 351.494 3.636 50 0 FHAARO O=C(NCCCn1ccc2ccccc21)c1ccc(C[NH+]2CCCC2)o1 ZINC000097402342 209179510 /nfs/dbraw/zinc/17/95/10/209179510.db2.gz FNVKZWDKXSLBKF-UHFFFAOYSA-N 1 0 351.450 3.650 50 0 FHAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1cnc(SCc2ccccc2)nc1 ZINC000097413267 209179426 /nfs/dbraw/zinc/17/94/26/209179426.db2.gz LMSMSWKJNZPDFM-MRXNPFEDSA-N 1 0 365.506 3.622 50 0 FHAARO CCc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)no1 ZINC000097360164 209178890 /nfs/dbraw/zinc/17/88/90/209178890.db2.gz AMXBYRRDTLMGJZ-FQEVSTJZSA-N 1 0 355.482 3.748 50 0 FHAARO COCc1cccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1 ZINC000097272485 209177565 /nfs/dbraw/zinc/17/75/65/209177565.db2.gz JPDKFFDPETZSGC-OAQYLSRUSA-N 1 0 370.468 3.929 50 0 FHAARO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)o2)cc1F ZINC000097294672 209176831 /nfs/dbraw/zinc/17/68/31/209176831.db2.gz CMBQLZWSVACZFT-AWEZNQCLSA-N 1 0 360.429 3.904 50 0 FHAARO Cc1ccsc1C[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000097221813 209176163 /nfs/dbraw/zinc/17/61/63/209176163.db2.gz KLIUNQGGQPQXOI-QGZVFWFLSA-N 1 0 350.915 3.873 50 0 FHAARO CCc1[nH]nc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)c1C ZINC000097173381 209173725 /nfs/dbraw/zinc/17/37/25/209173725.db2.gz OUHOLSXXSDGKNT-LJQANCHMSA-N 1 0 354.498 3.628 50 0 FHAARO C[C@@H]([NH2+][C@@H](C)CCCOc1ccccc1C(N)=O)c1ccc(F)cc1F ZINC000097162447 209172477 /nfs/dbraw/zinc/17/24/77/209172477.db2.gz PUIDXAXJSWAQKH-UONOGXRCSA-N 1 0 362.420 3.962 50 0 FHAARO O[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)CN1CCc2ccccc2C1 ZINC000096797774 209157245 /nfs/dbraw/zinc/15/72/45/209157245.db2.gz UOJIHWBBJXSABY-KRWDZBQOSA-N 1 0 365.304 3.502 50 0 FHAARO CC1CC[NH+](CCNc2ncccc2-c2nnc(-c3ccccc3)o2)CC1 ZINC000096338982 209151517 /nfs/dbraw/zinc/15/15/17/209151517.db2.gz ZPDNMVAQUBSQMD-UHFFFAOYSA-N 1 0 363.465 3.942 50 0 FHAARO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096343728 209151330 /nfs/dbraw/zinc/15/13/30/209151330.db2.gz ILVGJMCPDZFZOX-RTBURBONSA-N 1 0 367.493 3.655 50 0 FHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc2cc(F)ccc2[nH]1 ZINC000013007244 220053129 /nfs/dbraw/zinc/05/31/29/220053129.db2.gz WJSQCXGIPUJUBB-FQEVSTJZSA-N 1 0 351.425 3.874 50 0 FHAARO CC(=O)c1cccc(NC(=O)NCC2CC[NH+](Cc3ccc(C)o3)CC2)c1 ZINC000096167172 209130518 /nfs/dbraw/zinc/13/05/18/209130518.db2.gz PAYCPGZXCAVQPO-UHFFFAOYSA-N 1 0 369.465 3.824 50 0 FHAARO C[C@H](CCc1ccco1)NC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000096163961 209129159 /nfs/dbraw/zinc/12/91/59/209129159.db2.gz JLFWEXLPOJRFJE-MRXNPFEDSA-N 1 0 371.481 3.895 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C3CCOCC3)CC2)C1 ZINC000096153622 209125994 /nfs/dbraw/zinc/12/59/94/209125994.db2.gz AGDJEIMHFZDKHS-OAQYLSRUSA-N 1 0 370.537 3.531 50 0 FHAARO C[N@H+](Cc1ccccc1NC(=O)NCCc1cn[nH]c1)C1CCCCC1 ZINC000096139678 209120282 /nfs/dbraw/zinc/12/02/82/209120282.db2.gz VBYOEHQGCNPERY-UHFFFAOYSA-N 1 0 355.486 3.538 50 0 FHAARO CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc3c(N)cc[nH+]c32)cc1 ZINC000096147828 209123001 /nfs/dbraw/zinc/12/30/01/209123001.db2.gz YSNBGWAYNXFVBV-UHFFFAOYSA-N 1 0 355.463 3.561 50 0 FHAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)Nc1cccc2c[nH]nc21 ZINC000096132402 209117323 /nfs/dbraw/zinc/11/73/23/209117323.db2.gz ZEWVSMDVBDLACQ-SFHVURJKSA-N 1 0 367.428 3.661 50 0 FHAARO CN[C@H](c1nc(C2CCCC2)nn1C1CC[NH+](C)CC1)c1ccccc1 ZINC000096130362 209115531 /nfs/dbraw/zinc/11/55/31/209115531.db2.gz OAAPIVSNTWUHNG-IBGZPJMESA-N 1 0 353.514 3.511 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc2[nH]ccc2c1 ZINC000096117313 209114759 /nfs/dbraw/zinc/11/47/59/209114759.db2.gz LGJATEQWGDXMBC-UHFFFAOYSA-N 1 0 351.425 3.701 50 0 FHAARO OC[C@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)C1 ZINC000016046980 220175972 /nfs/dbraw/zinc/17/59/72/220175972.db2.gz WYMNJKCOXKTMRK-YCRPNKLZSA-N 1 0 357.425 3.638 50 0 FHAARO CCC[C@H]1CO[C@](C[n+]2cn(CC)cn2)(c2ccc(Cl)cc2Cl)O1 ZINC000000896410 206844691 /nfs/dbraw/zinc/84/46/91/206844691.db2.gz ZMIUUEUCMUEWIG-YOEHRIQHSA-N 1 0 371.288 3.566 50 0 FHAARO CC1(C)CC(NC(=O)c2ccccc2C(=O)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000000952337 206849339 /nfs/dbraw/zinc/84/93/39/206849339.db2.gz MWLSSVUUQXBFAT-UHFFFAOYSA-N 1 0 364.489 3.957 50 0 FHAARO S=C(NCCC[NH+]1CCCCC1)Nc1ccc(Br)cc1 ZINC000002285485 206907926 /nfs/dbraw/zinc/90/79/26/206907926.db2.gz TWRVSDSGTCJZBO-UHFFFAOYSA-N 1 0 356.333 3.612 50 0 FHAARO CCOc1ccc([C@]2(O)C[N+](c3ccccc3C)=C3CCCCN32)cc1 ZINC000002966434 206948887 /nfs/dbraw/zinc/94/88/87/206948887.db2.gz ITYFREBULDKZJN-JOCHJYFZSA-N 1 0 351.470 3.654 50 0 FHAARO COc1ccc([C@@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCCC3)cc1 ZINC000002974645 206950662 /nfs/dbraw/zinc/95/06/62/206950662.db2.gz KZSQMXJMVOZNRC-QFIPXVFZSA-N 1 0 351.470 3.654 50 0 FHAARO Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000004204432 207008522 /nfs/dbraw/zinc/00/85/22/207008522.db2.gz UOPFIWYXBIHPIP-SFTDATJTSA-N 1 0 366.486 3.715 50 0 FHAARO O[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)CSc1ccc(F)cc1 ZINC000004299428 207011612 /nfs/dbraw/zinc/01/16/12/207011612.db2.gz KAXFVIRAZLZREN-FQEVSTJZSA-N 1 0 374.525 3.533 50 0 FHAARO C[NH+](C)CCN(C(=O)CCc1ccccc1)c1nc2ccc(F)cc2s1 ZINC000004359170 207015896 /nfs/dbraw/zinc/01/58/96/207015896.db2.gz HNAHSLYPSYLFOY-UHFFFAOYSA-N 1 0 371.481 3.963 50 0 FHAARO CCC[N@@H+]1CCC[C@H](NC(=S)Nc2ccc(Br)cc2C)C1 ZINC000004347963 207015922 /nfs/dbraw/zinc/01/59/22/207015922.db2.gz XNZSKNADCZZCMP-AWEZNQCLSA-N 1 0 370.360 3.918 50 0 FHAARO O=C(CC[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1 ZINC000004615349 207032513 /nfs/dbraw/zinc/03/25/13/207032513.db2.gz UHIIVFIHLMURHW-UHFFFAOYSA-N 1 0 361.848 3.630 50 0 FHAARO CC[NH+](CC)CCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000004699402 207039419 /nfs/dbraw/zinc/03/94/19/207039419.db2.gz PPHUVXIOOLULMS-QGZVFWFLSA-N 1 0 361.530 3.623 50 0 FHAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000004744965 207044899 /nfs/dbraw/zinc/04/48/99/207044899.db2.gz DIAWTXJTYWFXKY-OAQYLSRUSA-N 1 0 366.505 3.956 50 0 FHAARO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCc2ccccc2C1 ZINC000004746291 207045550 /nfs/dbraw/zinc/04/55/50/207045550.db2.gz IUAONBMJEDCALY-HXUWFJFHSA-N 1 0 352.453 3.623 50 0 FHAARO C[C@@H](O)C[NH2+]CCCCOc1ccc2ccccc2c1Br ZINC000004833307 207053358 /nfs/dbraw/zinc/05/33/58/207053358.db2.gz QTGIDQIPSPGGAR-CYBMUJFWSA-N 1 0 352.272 3.732 50 0 FHAARO CC[NH+](CC)CCCNC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000004950448 207064796 /nfs/dbraw/zinc/06/47/96/207064796.db2.gz MXAQDIMSWAPMBY-UHFFFAOYSA-N 1 0 358.482 3.539 50 0 FHAARO COC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+](C)C)c1ccccc1CC2 ZINC000004892886 207059058 /nfs/dbraw/zinc/05/90/58/207059058.db2.gz OZAIYDAHOMNNGT-UHFFFAOYSA-N 1 0 367.449 3.580 50 0 biogenic FHAARO CC[NH+](CC)C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000005010107 207072600 /nfs/dbraw/zinc/07/26/00/207072600.db2.gz XBYIRYDJOVXGAL-IBGZPJMESA-N 1 0 355.478 3.584 50 0 FHAARO CCOC(=O)c1sc2ncnc(NC(C)(C)C)c2c1C[NH2+]C(C)(C)C ZINC000005048068 207076639 /nfs/dbraw/zinc/07/66/39/207076639.db2.gz LTFWGYAEQRMIGU-UHFFFAOYSA-N 1 0 364.515 3.967 50 0 FHAARO [NH3+][C@@H](Cc1ccccc1)c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 ZINC000005340404 207094259 /nfs/dbraw/zinc/09/42/59/207094259.db2.gz TVBGRHXXORASLY-HNNXBMFYSA-N 1 0 369.881 3.532 50 0 FHAARO C[C@H]1C[C@H](C)C[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000006627109 207150363 /nfs/dbraw/zinc/15/03/63/207150363.db2.gz JCDYJYAVTWCEQV-GJZGRUSLSA-N 1 0 353.491 3.901 50 0 FHAARO C[C@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)N1CCCC1 ZINC000008312261 207228371 /nfs/dbraw/zinc/22/83/71/207228371.db2.gz BSVGMODSRUXWCO-PXNSSMCTSA-N 1 0 361.489 3.900 50 0 FHAARO CC[NH+](CC)CCCNc1ncnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000008583049 207238541 /nfs/dbraw/zinc/23/85/41/207238541.db2.gz ORMFAIJKUKFBBX-UHFFFAOYSA-N 1 0 352.486 3.576 50 0 FHAARO Cc1nn(CC(C)C)c(Cl)c1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000008772305 207249887 /nfs/dbraw/zinc/24/98/87/207249887.db2.gz MPAQVRFBLGQZLT-MRXNPFEDSA-N 1 0 362.905 3.534 50 0 FHAARO CC(C)(CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)[NH+]1CCCCC1 ZINC000009449920 207270766 /nfs/dbraw/zinc/27/07/66/207270766.db2.gz FBQOHZAZITYXBV-UHFFFAOYSA-N 1 0 369.465 3.526 50 0 FHAARO C[NH+](C)C1(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCCCC1 ZINC000009479698 207272126 /nfs/dbraw/zinc/27/21/26/207272126.db2.gz XGYZTHJMLJSEMQ-UHFFFAOYSA-N 1 0 369.465 3.526 50 0 FHAARO c1ccc(OCCC[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000009476900 207272392 /nfs/dbraw/zinc/27/23/92/207272392.db2.gz IRMPCDZMXWZFMU-UHFFFAOYSA-N 1 0 353.491 3.887 50 0 FHAARO O=c1cc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)c2cc3c(cc2o1)CCC3 ZINC000009482046 207274284 /nfs/dbraw/zinc/27/42/84/207274284.db2.gz MOJJVLQAVULOLV-IRXDYDNUSA-N 1 0 354.475 3.785 50 0 FHAARO Cc1cccc(C[NH+]2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)c1 ZINC000009526858 207275990 /nfs/dbraw/zinc/27/59/90/207275990.db2.gz OJSZFNJVJNZSOH-UHFFFAOYSA-N 1 0 367.880 3.560 50 0 FHAARO O=C(CCn1ccc2ccc(F)cc21)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036585503 207285439 /nfs/dbraw/zinc/28/54/39/207285439.db2.gz LOCALLAVIUZBAU-IEBWSBKVSA-N 1 0 357.473 3.551 50 0 FHAARO OCCOCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000010435641 207300806 /nfs/dbraw/zinc/30/08/06/207300806.db2.gz YFKJPYWVANZZEQ-UHFFFAOYSA-N 1 0 370.276 3.671 50 0 FHAARO CCOc1ccc(OC(C)(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000010818272 207305769 /nfs/dbraw/zinc/30/57/69/207305769.db2.gz LRWVJXXWFBCPAH-UHFFFAOYSA-N 1 0 362.514 3.668 50 0 FHAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3cnc(N(C)C)s3)c2C)cc1 ZINC000011712070 207320365 /nfs/dbraw/zinc/32/03/65/207320365.db2.gz TYTJQGUULKSKAO-ZDUSSCGKSA-N 1 0 371.510 3.563 50 0 FHAARO CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3=O)o1 ZINC000011763254 207320585 /nfs/dbraw/zinc/32/05/85/207320585.db2.gz NLTGLUBYSPFMIA-JOCHJYFZSA-N 1 0 370.468 3.996 50 0 FHAARO Cc1noc(C)c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011709108 207320609 /nfs/dbraw/zinc/32/06/09/207320609.db2.gz KZWMAKVIEVPPMT-FQEVSTJZSA-N 1 0 369.509 3.884 50 0 FHAARO COC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cc(OC)ccc2OC)oc1C ZINC000011816892 207323916 /nfs/dbraw/zinc/32/39/16/207323916.db2.gz VVFZFLZDSSJDNT-OAHLLOKOSA-N 1 0 360.454 3.668 50 0 FHAARO CSc1ccc(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000011753835 207320839 /nfs/dbraw/zinc/32/08/39/207320839.db2.gz PSNRVHWXISWCPZ-IBGZPJMESA-N 1 0 354.519 3.845 50 0 FHAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCCc2ccccc2)cc1 ZINC000011786414 207322082 /nfs/dbraw/zinc/32/20/82/207322082.db2.gz JGNAOTBIZKUCBY-NRFANRHFSA-N 1 0 366.505 3.799 50 0 FHAARO COc1cccc(N2C[C@@H]3C[C@@H](c4cccs4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000011816931 207322781 /nfs/dbraw/zinc/32/27/81/207322781.db2.gz JEIRBTIDGADLNL-VHFSOBRXSA-N 1 0 354.475 3.699 50 0 FHAARO COc1ccc(-c2nc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cs2)cc1 ZINC000011422763 207312596 /nfs/dbraw/zinc/31/25/96/207312596.db2.gz IOGIGGQWARIUJU-UHFFFAOYSA-N 1 0 373.522 3.858 50 0 FHAARO Cc1occc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011661563 207316342 /nfs/dbraw/zinc/31/63/42/207316342.db2.gz JXGVHKIMGWWFJV-HXUWFJFHSA-N 1 0 374.525 3.864 50 0 FHAARO CC[NH+]1CCC(N[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)CC1 ZINC000011954921 207333024 /nfs/dbraw/zinc/33/30/24/207333024.db2.gz QWEHUNASIKJGFG-HXUWFJFHSA-N 1 0 352.526 3.940 50 0 FHAARO CCCC[C@H]1C[N@H+](CCC(=O)NCCCSC)Cc2ccccc2O1 ZINC000012040330 207333969 /nfs/dbraw/zinc/33/39/69/207333969.db2.gz JBPFBDMXRKHTKY-SFHVURJKSA-N 1 0 364.555 3.699 50 0 FHAARO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](Cc2ccncc2)C1 ZINC000011820921 207324423 /nfs/dbraw/zinc/32/44/23/207324423.db2.gz XQPXPDJGWWJBEK-QFIPXVFZSA-N 1 0 352.478 3.778 50 0 FHAARO CC(=O)N1CCC[N@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000011817270 207324602 /nfs/dbraw/zinc/32/46/02/207324602.db2.gz OPUQIGGXXHAHCF-UHFFFAOYSA-N 1 0 374.488 3.798 50 0 FHAARO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3CC3CC3)cc2)n1 ZINC000012050435 207334916 /nfs/dbraw/zinc/33/49/16/207334916.db2.gz XYXSEYPRBCEIRM-HXUWFJFHSA-N 1 0 352.482 3.692 50 0 FHAARO COc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000011840193 207325468 /nfs/dbraw/zinc/32/54/68/207325468.db2.gz ZUHCZUJLUALSLA-GOSISDBHSA-N 1 0 366.461 3.749 50 0 FHAARO COc1cccc(NC(=O)CCC2CC[NH+]([C@H](C)CSC)CC2)c1 ZINC000011879159 207328391 /nfs/dbraw/zinc/32/83/91/207328391.db2.gz VPSNYSJJYZSOTC-OAHLLOKOSA-N 1 0 350.528 3.877 50 0 FHAARO CSCC[C@H](C)[NH+]1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000012054046 207335217 /nfs/dbraw/zinc/33/52/17/207335217.db2.gz RICFVVGSCURZQV-AWEZNQCLSA-N 1 0 352.548 3.646 50 0 FHAARO CCCC[C@@H]1C[N@H+](CCNC(=O)CCC(F)(F)F)Cc2ccccc2O1 ZINC000012053237 207335357 /nfs/dbraw/zinc/33/53/57/207335357.db2.gz MGFLQJGFKVHJFY-MRXNPFEDSA-N 1 0 372.431 3.899 50 0 FHAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000012058509 207335837 /nfs/dbraw/zinc/33/58/37/207335837.db2.gz XLFGVKFEIIDVJV-FQEVSTJZSA-N 1 0 352.478 3.579 50 0 FHAARO Cc1ncsc1CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000012051363 207335900 /nfs/dbraw/zinc/33/59/00/207335900.db2.gz WWQZLWBFPAKKRC-SFHVURJKSA-N 1 0 357.523 3.507 50 0 FHAARO CC(C)C[NH+]1CCC(CNc2nncc(-c3cccc(Cl)c3)n2)CC1 ZINC000012051101 207336001 /nfs/dbraw/zinc/33/60/01/207336001.db2.gz WPUGHFLXERRVAS-UHFFFAOYSA-N 1 0 359.905 3.972 50 0 FHAARO C[C@@H](c1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)on1)c1ccccc1 ZINC000012097139 207338672 /nfs/dbraw/zinc/33/86/72/207338672.db2.gz XYOXAWRUQXLVDG-QGZVFWFLSA-N 1 0 367.493 3.917 50 0 FHAARO COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cc1C ZINC000012226144 207350014 /nfs/dbraw/zinc/35/00/14/207350014.db2.gz SZECLFIVSDUVOI-JOCHJYFZSA-N 1 0 356.510 3.537 50 0 FHAARO COc1ccc(F)c([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@H+]24)c1 ZINC000012223998 207350334 /nfs/dbraw/zinc/35/03/34/207350334.db2.gz BFIKSQVFWOHNLD-JBYOLUDKSA-N 1 0 358.457 3.515 50 0 FHAARO Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3=O)n1 ZINC000012307421 207359376 /nfs/dbraw/zinc/35/93/76/207359376.db2.gz YBTHJLJHBYXPIZ-QFIPXVFZSA-N 1 0 367.468 3.544 50 0 FHAARO Cc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)n1C ZINC000012316065 207359544 /nfs/dbraw/zinc/35/95/44/207359544.db2.gz DZQXFKAHEOTEAO-QHCPKHFHSA-N 1 0 366.553 3.649 50 0 FHAARO CCCc1cnc(N2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)nc1 ZINC000012202541 207347907 /nfs/dbraw/zinc/34/79/07/207347907.db2.gz BPDQELHGCFIABJ-NRFANRHFSA-N 1 0 365.525 3.563 50 0 FHAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000012318854 207361201 /nfs/dbraw/zinc/36/12/01/207361201.db2.gz RPCRSNRTYQYFMO-QFIPXVFZSA-N 1 0 368.477 3.696 50 0 FHAARO O=C(N1CCC[C@H](Nc2ccc(F)cc2)C1)C1([NH+]2CCCC2)CCCC1 ZINC000012443552 207378271 /nfs/dbraw/zinc/37/82/71/207378271.db2.gz XSDZOISPOJYIMZ-IBGZPJMESA-N 1 0 359.489 3.637 50 0 FHAARO Cc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)cn1 ZINC000012442735 207379578 /nfs/dbraw/zinc/37/95/78/207379578.db2.gz XCKCOUFNXXHPGJ-UHFFFAOYSA-N 1 0 369.484 3.556 50 0 FHAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2ccc(F)c(F)c2)C1 ZINC000012578790 207395159 /nfs/dbraw/zinc/39/51/59/207395159.db2.gz KECMNJKLYQNSEB-SFHVURJKSA-N 1 0 372.459 3.992 50 0 FHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012580983 207398823 /nfs/dbraw/zinc/39/88/23/207398823.db2.gz YNYIWYVUQJPOKA-OAHLLOKOSA-N 1 0 365.399 3.842 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc(OC)cc2)cc1 ZINC000012877422 207430834 /nfs/dbraw/zinc/43/08/34/207430834.db2.gz YVANNIQFTLHKBV-UHFFFAOYSA-N 1 0 355.482 3.536 50 0 FHAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccccc2)N1Cc1cccc(F)c1F ZINC000014960030 207532703 /nfs/dbraw/zinc/53/27/03/207532703.db2.gz OSENHFWOLBHIPG-KRWDZBQOSA-N 1 0 374.431 3.515 50 0 FHAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH2+]C1CCCC1)CC2 ZINC000014543786 207521361 /nfs/dbraw/zinc/52/13/61/207521361.db2.gz MVSCXFGPTCGQMV-SFHVURJKSA-N 1 0 372.557 3.555 50 0 FHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(-c2ccccc2)on1 ZINC000021805585 207784417 /nfs/dbraw/zinc/78/44/17/207784417.db2.gz HFCZHGKQCSYCNH-QGZVFWFLSA-N 1 0 367.474 3.970 50 0 FHAARO COc1ccc(CN(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1F ZINC000023374144 207844062 /nfs/dbraw/zinc/84/40/62/207844062.db2.gz YIOIOZJLSNZVHD-HXUWFJFHSA-N 1 0 356.485 3.973 50 0 FHAARO C[C@H]([NH2+]Cc1csc(Br)c1)c1ccc(-n2cncn2)cc1 ZINC000030545456 208002821 /nfs/dbraw/zinc/00/28/21/208002821.db2.gz RXOUTMWIRPRBSF-NSHDSACASA-N 1 0 363.284 3.942 50 0 FHAARO Cc1ccccc1C[N@@H+]1CCCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000030970728 208007985 /nfs/dbraw/zinc/00/79/85/208007985.db2.gz HKADLDWWLKCTKD-UHFFFAOYSA-N 1 0 368.506 3.814 50 0 FHAARO Cc1cc(OCC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)ccc1Cl ZINC000032593759 208032058 /nfs/dbraw/zinc/03/20/58/208032058.db2.gz APQVZVJJSMAQDC-GOSISDBHSA-N 1 0 364.848 3.585 50 0 FHAARO Cc1csc2c1ncn(C[C@@H]1CCC[N@H+](CCc3ccccc3)C1)c2=O ZINC000032553399 208032606 /nfs/dbraw/zinc/03/26/06/208032606.db2.gz YNHVTVGIMNWMIZ-GOSISDBHSA-N 1 0 367.518 3.721 50 0 FHAARO C[NH+](C)C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000032781215 208042620 /nfs/dbraw/zinc/04/26/20/208042620.db2.gz LKEGZUFQWJDSKF-QGZVFWFLSA-N 1 0 350.384 3.667 50 0 FHAARO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000032912559 208057118 /nfs/dbraw/zinc/05/71/18/208057118.db2.gz VJZVSLXBENPBHD-CQSZACIVSA-N 1 0 372.296 3.712 50 0 FHAARO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033069015 208071148 /nfs/dbraw/zinc/07/11/48/208071148.db2.gz YGACCWFOMHYDLZ-UHFFFAOYSA-N 1 0 371.506 3.875 50 0 FHAARO Cc1ccc(C[NH+]2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1 ZINC000035430957 208123811 /nfs/dbraw/zinc/12/38/11/208123811.db2.gz GTCROHKZUGMNKC-UHFFFAOYSA-N 1 0 361.489 3.523 50 0 FHAARO CC(C)C[N@H+](Cc1ccccc1)Cc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000035509760 208128166 /nfs/dbraw/zinc/12/81/66/208128166.db2.gz HYCZSUYJGTUCEI-UHFFFAOYSA-N 1 0 370.522 3.933 50 0 FHAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000036446855 208164905 /nfs/dbraw/zinc/16/49/05/208164905.db2.gz PSPBAPPKMZWSEN-FOIQADDNSA-N 1 0 356.441 3.849 50 0 FHAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=S)NCCc1ccccc1 ZINC000036847609 208174182 /nfs/dbraw/zinc/17/41/82/208174182.db2.gz BNYIFBOAMWTEIB-UHFFFAOYSA-N 1 0 355.551 3.734 50 0 FHAARO COc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc(OC)c2)CC(C)C)cc1 ZINC000036100096 208145891 /nfs/dbraw/zinc/14/58/91/208145891.db2.gz HDKMDKUUKPMUAG-LJQANCHMSA-N 1 0 373.493 3.602 50 0 FHAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COCC(C)C)cc1 ZINC000036102166 208147055 /nfs/dbraw/zinc/14/70/55/208147055.db2.gz NPKPHLVRJNSWCC-OAQYLSRUSA-N 1 0 357.494 3.731 50 0 FHAARO COc1cccc(C[N@H+](CC(C)C)C[C@H](O)COCc2ccccc2)c1 ZINC000036100076 208147070 /nfs/dbraw/zinc/14/70/70/208147070.db2.gz QVIZZSBIFRPYDF-NRFANRHFSA-N 1 0 357.494 3.731 50 0 FHAARO CC(C)[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000039987722 208215475 /nfs/dbraw/zinc/21/54/75/208215475.db2.gz KQZOXWFPCZBAEO-IIBYNOLFSA-N 1 0 360.498 3.536 50 0 FHAARO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1CCCCC1 ZINC000040071802 208221956 /nfs/dbraw/zinc/22/19/56/208221956.db2.gz GXMWIDMFQXOGOL-LSDHHAIUSA-N 1 0 357.498 3.523 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C)c(NC(C)=O)c1)c1ccsc1 ZINC000040108812 208229389 /nfs/dbraw/zinc/22/93/89/208229389.db2.gz UZETZLDDGYPFJQ-IBGZPJMESA-N 1 0 373.522 3.828 50 0 FHAARO C[C@@H](SCc1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000040143449 208235350 /nfs/dbraw/zinc/23/53/50/208235350.db2.gz ANSLFBPJQQBUIA-BEFAXECRSA-N 1 0 360.498 3.867 50 0 FHAARO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044920077 208321109 /nfs/dbraw/zinc/32/11/09/208321109.db2.gz IAKVOLMFLJNLRF-UHFFFAOYSA-N 1 0 370.468 3.753 50 0 FHAARO COCc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)sc2cccc(F)c21 ZINC000046996385 208371025 /nfs/dbraw/zinc/37/10/25/208371025.db2.gz WNAUNNQWHHAPLQ-HUUCEWRRSA-N 1 0 362.470 3.543 50 0 FHAARO CC[NH+]1CCC(CNC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)CC1 ZINC000048265024 208394547 /nfs/dbraw/zinc/39/45/47/208394547.db2.gz QAKNPFGJYMUMOJ-UHFFFAOYSA-N 1 0 365.543 3.503 50 0 FHAARO COc1ccc(CN2CC[NH+](C3CCCCCC3)CC2)c(OC)c1OC ZINC000019789389 220296701 /nfs/dbraw/zinc/29/67/01/220296701.db2.gz XRMILGQJPVQMMS-UHFFFAOYSA-N 1 0 362.514 3.553 50 0 FHAARO O=C(CC[NH+]1CCCCCCC1)N(Cc1ccco1)Cc1cccnc1 ZINC000063832530 208608784 /nfs/dbraw/zinc/60/87/84/208608784.db2.gz QCOZCUVAOGQVHD-UHFFFAOYSA-N 1 0 355.482 3.860 50 0 FHAARO CC(C)[C@@H]1C[N@H+](Cc2ccc(O)cc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071759738 208776627 /nfs/dbraw/zinc/77/66/27/208776627.db2.gz WQKXFJIJQJCJKM-NRFANRHFSA-N 1 0 370.468 3.790 50 0 FHAARO CC(C)c1nc(N2CC[C@@H](C3CC[NH+](CCc4ccccc4)CC3)C2)no1 ZINC000072154148 208813929 /nfs/dbraw/zinc/81/39/29/208813929.db2.gz ZMXAGSHTUBCVBS-HXUWFJFHSA-N 1 0 368.525 3.974 50 0 FHAARO C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000096006932 209094993 /nfs/dbraw/zinc/09/49/93/209094993.db2.gz RDSJKCWLSCPGKM-JQWIXIFHSA-N 1 0 353.816 3.777 50 0 FHAARO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)cc2)C[C@@H](C)O1 ZINC000096003157 209094740 /nfs/dbraw/zinc/09/47/40/209094740.db2.gz MCRIAALTXYIHNB-XWOARTFESA-N 1 0 370.537 3.994 50 0 FHAARO Cc1nc(COc2ccc(C[NH2+]CC3([C@@H](O)C(C)C)CC3)cc2)cs1 ZINC000095989212 209093185 /nfs/dbraw/zinc/09/31/85/209093185.db2.gz MYVDYPQRJJUTFQ-IBGZPJMESA-N 1 0 360.523 3.917 50 0 FHAARO Cc1c2ccc(C)cc2oc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000091951789 209007601 /nfs/dbraw/zinc/00/76/01/209007601.db2.gz IJQRMFNDMCOJKN-UHFFFAOYSA-N 1 0 363.461 3.839 50 0 FHAARO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000095967262 209091443 /nfs/dbraw/zinc/09/14/43/209091443.db2.gz CVOIYUSMIQNESP-MRXNPFEDSA-N 1 0 364.287 3.917 50 0 FHAARO c1coc(-c2cccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(c3ncccn3)C4)c2)c1 ZINC000091951360 209008207 /nfs/dbraw/zinc/00/82/07/209008207.db2.gz ALIGNILCBZOELU-UYAOXDASSA-N 1 0 360.461 3.837 50 0 FHAARO O=C1CCC2(CC[NH+](CCCc3cccnc3)CC2)CN1C1CCCC1 ZINC000092066578 209016904 /nfs/dbraw/zinc/01/69/04/209016904.db2.gz IOEFNFUNLHWPDH-UHFFFAOYSA-N 1 0 355.526 3.661 50 0 FHAARO CN(Cc1cccc2cnccc21)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095352126 209022751 /nfs/dbraw/zinc/02/27/51/209022751.db2.gz RJLSDXLRMGGXII-LJQANCHMSA-N 1 0 363.461 3.698 50 0 FHAARO Cc1noc2nc(C)nc(NCC[N@@H+]3CCC[C@H](c4ccccc4)C3)c12 ZINC000095357535 209025841 /nfs/dbraw/zinc/02/58/41/209025841.db2.gz UKGDALNVNTYMQR-KRWDZBQOSA-N 1 0 351.454 3.526 50 0 FHAARO Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000095361924 209028894 /nfs/dbraw/zinc/02/88/94/209028894.db2.gz NSJRUNSZUSYEAL-LJQANCHMSA-N 1 0 367.493 3.633 50 0 FHAARO O=C(c1ccc(Cl)c(F)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095363239 209029472 /nfs/dbraw/zinc/02/94/72/209029472.db2.gz PUTPJSVGHGNZNI-GDBMZVCRSA-N 1 0 350.865 3.816 50 0 FHAARO COc1ccc([C@@H]2CN(C(=O)CC(C)(C)C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095385466 209044563 /nfs/dbraw/zinc/04/45/63/209044563.db2.gz LKSGLBHVHATNCH-CEWLAPEOSA-N 1 0 356.510 3.520 50 0 FHAARO CCn1nc(C)c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1C ZINC000095369110 209032420 /nfs/dbraw/zinc/03/24/20/209032420.db2.gz OPKBQKLUIPLPQV-PZJWPPBQSA-N 1 0 370.516 3.755 50 0 FHAARO CCc1nc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(OC)cc2)C3)cs1 ZINC000095367803 209033518 /nfs/dbraw/zinc/03/35/18/209033518.db2.gz XBBZWRUIBGLXLL-PKOBYXMFSA-N 1 0 371.550 3.811 50 0 FHAARO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3F)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095389340 209046365 /nfs/dbraw/zinc/04/63/65/209046365.db2.gz SCKROVIDEPKPBC-MDNUFGMLSA-N 1 0 366.480 3.897 50 0 FHAARO CCOc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)cc1 ZINC000095375694 209036909 /nfs/dbraw/zinc/03/69/09/209036909.db2.gz UCUMEUDPVFUPMW-NRFANRHFSA-N 1 0 364.489 3.724 50 0 FHAARO O=C(c1cc(F)cc(F)c1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095374786 209036983 /nfs/dbraw/zinc/03/69/83/209036983.db2.gz OFRSYUDLYDEBQH-OXQOHEQNSA-N 1 0 356.416 3.701 50 0 FHAARO Cc1cc(CN2CCc3nc[nH]c3C2)c(C)c(C[N@H+]2CCCC[C@H]2C)c1 ZINC000095376132 209037217 /nfs/dbraw/zinc/03/72/17/209037217.db2.gz WUPHSJYJCITDBM-QGZVFWFLSA-N 1 0 352.526 3.959 50 0 FHAARO Cc1cc(F)ccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095375659 209037472 /nfs/dbraw/zinc/03/74/72/209037472.db2.gz LYBURFLBNKAIAC-AZUAARDMSA-N 1 0 352.453 3.871 50 0 FHAARO CC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cc1 ZINC000095379590 209041223 /nfs/dbraw/zinc/04/12/23/209041223.db2.gz NPNNUSHYZLVUTE-DENIHFKCSA-N 1 0 362.473 3.626 50 0 FHAARO Cc1cc([C@@H]2CCCCN2C(=O)C2CC[NH+](Cc3ccco3)CC2)no1 ZINC000095383489 209041696 /nfs/dbraw/zinc/04/16/96/209041696.db2.gz OJOSSNYGQVRWMX-IBGZPJMESA-N 1 0 357.454 3.542 50 0 FHAARO C[NH+](C)Cc1csc(C[N@@H+]2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000095386294 209043371 /nfs/dbraw/zinc/04/33/71/209043371.db2.gz AOCYDKWELWQNRP-SFHVURJKSA-N 1 0 358.507 3.888 50 0 FHAARO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000095440588 209051254 /nfs/dbraw/zinc/05/12/54/209051254.db2.gz ALFNVQWITHWSAB-CQSZACIVSA-N 1 0 355.404 3.901 50 0 FHAARO C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C1=CC[N@H+](C)CC1 ZINC000095469128 209054972 /nfs/dbraw/zinc/05/49/72/209054972.db2.gz IFEOENAXJJTITD-AWEZNQCLSA-N 1 0 352.503 3.894 50 0 FHAARO C[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000095467022 209055505 /nfs/dbraw/zinc/05/55/05/209055505.db2.gz FURPSVXUKJUJOT-QMTHXVAHSA-N 1 0 361.795 3.917 50 0 FHAARO CC1(C)C[C@H](C[NH+]2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)CCO1 ZINC000095498069 209060310 /nfs/dbraw/zinc/06/03/10/209060310.db2.gz GHENEJBZIFSRCK-HXUWFJFHSA-N 1 0 370.537 3.706 50 0 FHAARO Cc1noc(C)c1C[NH+]1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000070040869 221331267 /nfs/dbraw/zinc/33/12/67/221331267.db2.gz ZJPJEGOZQGJADZ-FQEVSTJZSA-N 1 0 359.514 3.685 50 0 FHAARO CCCNC(=O)c1cc(C)ccc1OC1CC[NH+](Cc2ccncc2)CC1 ZINC000095509388 209067188 /nfs/dbraw/zinc/06/71/88/209067188.db2.gz STQMAHZJRPINHH-UHFFFAOYSA-N 1 0 367.493 3.573 50 0 FHAARO Cc1ccccc1N1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)[C@@H](C)C1 ZINC000077459905 132186309 /nfs/dbraw/zinc/18/63/09/132186309.db2.gz JCGDORDRUFJGHI-SFHVURJKSA-N 1 0 367.493 3.535 50 0 FHAARO Cc1nc2sccc2c(N2CCC([NH2+]Cc3ccccc3F)CC2)n1 ZINC000095509789 132213132 /nfs/dbraw/zinc/21/31/32/132213132.db2.gz PFVMNGQYDPCTCJ-UHFFFAOYSA-N 1 0 356.470 3.897 50 0 FHAARO CCCCOc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000002871771 132253854 /nfs/dbraw/zinc/25/38/54/132253854.db2.gz VYIRNFSUOFWPLT-UHFFFAOYSA-N 1 0 367.493 3.870 50 0 FHAARO c1sc(C[NH2+]C2CCN(c3ncccn3)CC2)cc1-c1ccccc1 ZINC000054040739 132302686 /nfs/dbraw/zinc/30/26/86/132302686.db2.gz GDXWYIYSQBOAEL-UHFFFAOYSA-N 1 0 350.491 3.964 50 0 FHAARO CCOc1ccc(NC(=O)NCC2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC000244933223 132376637 /nfs/dbraw/zinc/37/66/37/132376637.db2.gz CHZJPOLCFXEHQG-UHFFFAOYSA-N 1 0 368.481 3.827 50 0 FHAARO Cc1ccc(N2CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000000756662 132378393 /nfs/dbraw/zinc/37/83/93/132378393.db2.gz OYJMZQRVIODIPC-UHFFFAOYSA-N 1 0 363.549 3.824 50 0 FHAARO Fc1ccccc1N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000000757062 132378404 /nfs/dbraw/zinc/37/84/04/132378404.db2.gz YSKWXJMXCUPIJC-UHFFFAOYSA-N 1 0 353.485 3.612 50 0 FHAARO CCc1ccc(C[NH+]2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)nc1 ZINC000095520018 209073052 /nfs/dbraw/zinc/07/30/52/209073052.db2.gz BOLLDMVKMHDLEO-UHFFFAOYSA-N 1 0 363.505 3.659 50 0 FHAARO C[C@H](Sc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000057500658 136129565 /nfs/dbraw/zinc/12/95/65/136129565.db2.gz YPPXFLMMXSKHJD-INIZCTEOSA-N 1 0 355.507 3.558 50 0 FHAARO Cc1cc(C)c2c(n1)oc1c2ncnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000061966168 136132749 /nfs/dbraw/zinc/13/27/49/136132749.db2.gz RZLPRSOXWBWQGD-UHFFFAOYSA-N 1 0 373.460 3.710 50 0 FHAARO CCc1ccc(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000067338630 136137150 /nfs/dbraw/zinc/13/71/50/136137150.db2.gz NDFXVDNDMLQJQD-UHFFFAOYSA-N 1 0 351.494 3.572 50 0 FHAARO c1[nH]c2ccccc2c1-c1nc2c(c(N3CCc4ccccc4C3)n1)C[NH2+]C2 ZINC000072157311 136143020 /nfs/dbraw/zinc/14/30/20/136143020.db2.gz KSVRSUNJOCYXHN-UHFFFAOYSA-N 1 0 367.456 3.791 50 0 FHAARO c1cc(-c2ccc(C[N@@H+]3CCCC34CCN(c3ccccn3)CC4)o2)n[nH]1 ZINC000072409003 136145369 /nfs/dbraw/zinc/14/53/69/136145369.db2.gz GQHPNPVYZSUREG-UHFFFAOYSA-N 1 0 363.465 3.700 50 0 FHAARO Cn1ccnc1C[N@@H+]1CCCC12CCN(c1ccc3ncccc3c1)CC2 ZINC000072457946 136148650 /nfs/dbraw/zinc/14/86/50/136148650.db2.gz JIBXYZNWLQHDOT-UHFFFAOYSA-N 1 0 361.493 3.603 50 0 FHAARO OC(C[NH+]1CCN(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000075280189 136150295 /nfs/dbraw/zinc/15/02/95/136150295.db2.gz CLKJAYALTKZAQR-UHFFFAOYSA-N 1 0 358.485 3.745 50 0 FHAARO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cccnc1Oc1ccccc1F ZINC000011818564 263368411 /nfs/dbraw/zinc/36/84/11/263368411.db2.gz PDBQCONGWGFLGS-KRWDZBQOSA-N 1 0 357.429 3.504 50 0 FHAARO CCOc1cc(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)ccc1O ZINC000019787854 263377470 /nfs/dbraw/zinc/37/74/70/263377470.db2.gz VSXVHQMNGSTDBF-NRFANRHFSA-N 1 0 366.505 3.814 50 0 FHAARO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(C(=O)N3CCCC3)cc1)CC2 ZINC000067642013 518162774 /nfs/dbraw/zinc/16/27/74/518162774.db2.gz OBTCWDUJADTXSP-OAQYLSRUSA-N 1 0 364.489 3.578 50 0 FHAARO CCCOc1ccccc1C[NH+]1CCC2(CCC(=O)N(C3CC3)C2)CC1 ZINC000091694157 520474711 /nfs/dbraw/zinc/47/47/11/520474711.db2.gz JVYPPRQECKSVPG-UHFFFAOYSA-N 1 0 356.510 3.842 50 0 FHAARO CC[NH+]1CCN(CCCOc2ccc(OCc3ccccc3)cc2)CC1 ZINC000020406518 521682486 /nfs/dbraw/zinc/68/24/86/521682486.db2.gz PBBKFFSRPMVRGM-UHFFFAOYSA-N 1 0 354.494 3.672 50 0 FHAARO CC[NH+]1CCN(CCOc2ccc(Cl)cc2Cc2ccccc2)CC1 ZINC000020390013 521684039 /nfs/dbraw/zinc/68/40/39/521684039.db2.gz WTPYQNRYUGFZDX-UHFFFAOYSA-N 1 0 358.913 3.947 50 0 FHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2sc(-c3ccc(C)cc3C)nc2C)C1 ZINC000158974658 522045783 /nfs/dbraw/zinc/04/57/83/522045783.db2.gz WORHJGCBMYWTAT-INIZCTEOSA-N 1 0 357.523 3.807 50 0 FHAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000020167700 523351611 /nfs/dbraw/zinc/35/16/11/523351611.db2.gz CREWEPDOHDTFOY-HXUWFJFHSA-N 1 0 362.477 3.833 50 0 FHAARO COc1ccc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)cc1O ZINC000020166682 524011187 /nfs/dbraw/zinc/01/11/87/524011187.db2.gz ZAXLLBZMOFFLTH-SFHVURJKSA-N 1 0 358.457 3.636 50 0 FHAARO COc1ccc(CN2CC[N@@H+](C3CCCCC3)C[C@@H]2CCO)c(C)c1C ZINC000019837958 524031603 /nfs/dbraw/zinc/03/16/03/524031603.db2.gz XUKGCKHZFUVSLY-NRFANRHFSA-N 1 0 360.542 3.513 50 0 FHAARO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000252444175 524125968 /nfs/dbraw/zinc/12/59/68/524125968.db2.gz JSLVRTSJDMQJMU-HKUYNNGSSA-N 1 0 369.534 3.622 50 0 FHAARO COc1ccccc1OCC[NH+]1CCC(c2ccnc(C(C)C)n2)CC1 ZINC000089893783 524673110 /nfs/dbraw/zinc/67/31/10/524673110.db2.gz CQTODUHHMVMKEY-UHFFFAOYSA-N 1 0 355.482 3.867 50 0 FHAARO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+](C)Cc1cc(-c2cccnc2)no1 ZINC000216363433 524707862 /nfs/dbraw/zinc/70/78/62/524707862.db2.gz GXSOPZLWARHXQH-OAHLLOKOSA-N 1 0 365.433 3.776 50 0 FHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 ZINC000156350520 524846069 /nfs/dbraw/zinc/84/60/69/524846069.db2.gz LRUWZIHSPZOTQE-MAUKXSAKSA-N 1 0 356.441 3.604 50 0 FHAARO COc1cccc(C[NH2+]CCN(C)C)c1OCc1ccc(F)cc1Cl ZINC000020876272 526015899 /nfs/dbraw/zinc/01/58/99/526015899.db2.gz HCMVRFFDSAYKAY-UHFFFAOYSA-N 1 0 366.864 3.718 50 0 FHAARO C[C@@H](c1ccc(-c2cn(Cc3nc4cc(F)ccc4[nH]3)nn2)cc1)[NH+](C)C ZINC000091625109 526033425 /nfs/dbraw/zinc/03/34/25/526033425.db2.gz LGPQTUDHFMNHIP-ZDUSSCGKSA-N 1 0 364.428 3.631 50 0 FHAARO O=C(NCc1cccnc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019800329 526769050 /nfs/dbraw/zinc/76/90/50/526769050.db2.gz KRBQANBJGRNXNC-UHFFFAOYSA-N 1 0 357.457 3.570 50 0 FHAARO CC(C)COc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000002388067 535238660 /nfs/dbraw/zinc/23/86/60/535238660.db2.gz SJJJRHYKRTZYQP-UHFFFAOYSA-N 1 0 367.493 3.726 50 0 FHAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000008393191 535748083 /nfs/dbraw/zinc/74/80/83/535748083.db2.gz POGRZWKPISURTC-SFHVURJKSA-N 1 0 366.509 3.576 50 0 FHAARO CCOc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccccc2)cc1 ZINC000000627252 567880930 /nfs/dbraw/zinc/88/09/30/567880930.db2.gz YYPWDRNTNHDQPY-QFIPXVFZSA-N 1 0 351.470 3.736 50 0 FHAARO FC(F)(F)Oc1ccccc1CN1CCC[N@H+](Cc2cccnc2)CC1 ZINC000215275816 568061404 /nfs/dbraw/zinc/06/14/04/568061404.db2.gz IOPRBCGGJUOELI-UHFFFAOYSA-N 1 0 365.399 3.688 50 0 FHAARO Fc1ccccc1OC1CCN(Cc2cnc(-c3ccccn3)nc2)CC1 ZINC000215378451 568067038 /nfs/dbraw/zinc/06/70/38/568067038.db2.gz SAARTJCGZCGCKE-UHFFFAOYSA-N 1 0 364.424 3.721 50 0 FHAARO CCOc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nnc[nH]4)C3)o2)cc1 ZINC000215720383 568085395 /nfs/dbraw/zinc/08/53/95/568085395.db2.gz ISAPUCZUWVRROV-MRXNPFEDSA-N 1 0 352.438 3.843 50 0 FHAARO c1nc(C2CCCCC2)ncc1CN1CCC([NH+]2CCSCC2)CC1 ZINC000216023507 568101298 /nfs/dbraw/zinc/10/12/98/568101298.db2.gz CWELSYICGZCTPS-UHFFFAOYSA-N 1 0 360.571 3.538 50 0 FHAARO Cn1cnnc1Sc1ccc(C[N@H+](C)Cc2cccc3ncccc23)o1 ZINC000216047406 568102515 /nfs/dbraw/zinc/10/25/15/568102515.db2.gz ITIQWQSWHXKKOL-UHFFFAOYSA-N 1 0 365.462 3.740 50 0 FHAARO C[C@H](c1ccc(-c2ccc(CN3CC[NH+](C)CC3)cn2)cc1)[NH+]1CCCC1 ZINC000216215001 568112991 /nfs/dbraw/zinc/11/29/91/568112991.db2.gz YTPGWTJYSWUKLK-LJQANCHMSA-N 1 0 364.537 3.653 50 0 FHAARO COc1cc2c(cc1C[N@H+](C)Cc1ccc(OC)c3ncccc13)OCO2 ZINC000216429411 568123083 /nfs/dbraw/zinc/12/30/83/568123083.db2.gz OUJKUOPBAOHETB-UHFFFAOYSA-N 1 0 366.417 3.613 50 0 FHAARO COc1ccc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000000785836 568225116 /nfs/dbraw/zinc/22/51/16/568225116.db2.gz WHTZWBBLUTUZGE-UHFFFAOYSA-N 1 0 352.478 3.566 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3c(C)oc(C)c3C)cc2C)CC1 ZINC000033239202 568471448 /nfs/dbraw/zinc/47/14/48/568471448.db2.gz KPYDWESKZOEWLN-UHFFFAOYSA-N 1 0 355.482 3.907 50 0 FHAARO CCc1nc(C)sc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000091769552 570438274 /nfs/dbraw/zinc/43/82/74/570438274.db2.gz QYDIWNMNGBRJJI-SJLPKXTDSA-N 1 0 369.534 3.751 50 0 FHAARO CCC(C)(C)[C@H]1CCc2sc3ncnc(N4CC[NH+](C)CC4)c3c2C1 ZINC000000724046 570453338 /nfs/dbraw/zinc/45/33/38/570453338.db2.gz YULNNBNLXXXJSG-AWEZNQCLSA-N 1 0 358.555 3.984 50 0 FHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000000752349 570454388 /nfs/dbraw/zinc/45/43/88/570454388.db2.gz NMHJUHZUNPQFNV-HNNXBMFYSA-N 1 0 353.304 3.530 50 0 FHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C)cc1 ZINC000000845902 570460336 /nfs/dbraw/zinc/46/03/36/570460336.db2.gz UKAHSRZLOYSJAY-UHFFFAOYSA-N 1 0 350.466 3.939 50 0 FHAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000000985074 570467808 /nfs/dbraw/zinc/46/78/08/570467808.db2.gz XRODFTCDSZZZME-INIZCTEOSA-N 1 0 363.244 3.724 50 0 FHAARO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1)N1CCCCC1 ZINC000001287670 570496886 /nfs/dbraw/zinc/49/68/86/570496886.db2.gz SHZMPDKQARDFJQ-MRXNPFEDSA-N 1 0 365.315 3.674 50 0 FHAARO Cc1cccc(C)c1C(=O)c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000002514737 570523176 /nfs/dbraw/zinc/52/31/76/570523176.db2.gz XHHSVBZSEGRIBC-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)c1 ZINC000002734647 570529036 /nfs/dbraw/zinc/52/90/36/570529036.db2.gz AWDZNNJDCUIACW-HXUWFJFHSA-N 1 0 352.478 3.566 50 0 FHAARO O=C(NCCc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000002828200 570534617 /nfs/dbraw/zinc/53/46/17/570534617.db2.gz GKBHXHACJSHUIZ-UHFFFAOYSA-N 1 0 356.897 3.911 50 0 FHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000003164359 570553089 /nfs/dbraw/zinc/55/30/89/570553089.db2.gz HBHABMJNQNMUFE-LJQANCHMSA-N 1 0 355.401 3.925 50 0 FHAARO Cn1cccc1[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000011845709 570596373 /nfs/dbraw/zinc/59/63/73/570596373.db2.gz MJWBBUMUWCKPOJ-FQEVSTJZSA-N 1 0 353.510 3.890 50 0 FHAARO CC(=O)N(CC(C)C)C[C@@H]1C[N@H+](Cc2cccn2C)C[C@H]1c1ccccc1 ZINC000248143352 570598599 /nfs/dbraw/zinc/59/85/99/570598599.db2.gz QYVUAOZEEFLPGF-GMAHTHKFSA-N 1 0 367.537 3.745 50 0 FHAARO O=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)cc1 ZINC000004706908 570602409 /nfs/dbraw/zinc/60/24/09/570602409.db2.gz YQEFNDMDRPMDQD-UHFFFAOYSA-N 1 0 361.848 3.630 50 0 FHAARO c1ccc(CCC[NH+]2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004712106 570602960 /nfs/dbraw/zinc/60/29/60/570602960.db2.gz HOGUBVACCVUSMW-UHFFFAOYSA-N 1 0 363.549 3.906 50 0 FHAARO CC[NH+]1CCN(c2ncnc3sc(C)c(-c4ccc(F)cc4)c32)CC1 ZINC000004748094 570605050 /nfs/dbraw/zinc/60/50/50/570605050.db2.gz JDNVNTZVHDRUIA-UHFFFAOYSA-N 1 0 356.470 3.948 50 0 FHAARO O=C(c1cc2sccc2[nH]1)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000426490427 570608121 /nfs/dbraw/zinc/60/81/21/570608121.db2.gz XOJMUTNFBAAKCZ-HXUWFJFHSA-N 1 0 357.523 3.958 50 0 FHAARO CCN(CCC[NH+]1CCCC1)C(=O)NCCc1c[nH]c2cc(C)ccc12 ZINC000252496350 570622942 /nfs/dbraw/zinc/62/29/42/570622942.db2.gz PHIMQWVZCDFTRL-UHFFFAOYSA-N 1 0 356.514 3.536 50 0 FHAARO O=c1[nH]c2ccccc2n1C1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000050959163 570626671 /nfs/dbraw/zinc/62/66/71/570626671.db2.gz VFTNHOLPGMVNPT-UHFFFAOYSA-N 1 0 373.403 3.768 50 0 FHAARO O=c1c2ccccc2scc1N1CCN(CCc2ccccc2)CC1 ZINC000005202346 570632456 /nfs/dbraw/zinc/63/24/56/570632456.db2.gz RVZGNXBKIMNROF-UHFFFAOYSA-N 1 0 350.487 3.626 50 0 FHAARO Cn1ccc2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc21 ZINC000062001560 570647933 /nfs/dbraw/zinc/64/79/33/570647933.db2.gz NZLIKGCZOIYKRO-VMPITWQZSA-N 1 0 359.473 3.650 50 0 FHAARO O[C@]1(c2ccc(Br)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 ZINC000002966146 570678572 /nfs/dbraw/zinc/67/85/72/570678572.db2.gz HHAFHWTVFOUYQC-IBGZPJMESA-N 1 0 372.286 3.709 50 0 FHAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccc(C)cc1 ZINC000010314084 570699865 /nfs/dbraw/zinc/69/98/65/570699865.db2.gz MGMRQXKVIOWZIF-UHFFFAOYSA-N 1 0 365.477 3.959 50 0 FHAARO COc1cc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)ccc1O ZINC000022920028 570703024 /nfs/dbraw/zinc/70/30/24/570703024.db2.gz INLJMEBAZMIZQM-HXUWFJFHSA-N 1 0 354.494 3.540 50 0 FHAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1)NC1CC1 ZINC000011815336 570707681 /nfs/dbraw/zinc/70/76/81/570707681.db2.gz BJVZUCFMLHKQEX-CQSZACIVSA-N 1 0 370.415 3.856 50 0 FHAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)cc1CO ZINC000012187050 570724816 /nfs/dbraw/zinc/72/48/16/570724816.db2.gz IERLJVFQJAEUPH-HXUWFJFHSA-N 1 0 359.441 3.508 50 0 FHAARO CC[NH+]1CCN(c2ccc(-c3nc(-c4cccc(Cl)c4)no3)cn2)CC1 ZINC000012713229 570757932 /nfs/dbraw/zinc/75/79/32/570757932.db2.gz OOSFLUXJSZFBLH-UHFFFAOYSA-N 1 0 369.856 3.594 50 0 FHAARO COc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1F ZINC000012713077 570757969 /nfs/dbraw/zinc/75/79/69/570757969.db2.gz IZRVLKZXZWPIRH-GOSISDBHSA-N 1 0 356.441 3.571 50 0 FHAARO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](C2CSCCSC2)C1 ZINC000012715120 570757994 /nfs/dbraw/zinc/75/79/94/570757994.db2.gz QQAKFDGHUFXYDK-GOSISDBHSA-N 1 0 371.999 3.806 50 0 FHAARO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012815534 570764712 /nfs/dbraw/zinc/76/47/12/570764712.db2.gz FVADNLKMBSCAFL-OAQYLSRUSA-N 1 0 374.488 3.592 50 0 FHAARO COc1ccccc1NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000012977085 570769507 /nfs/dbraw/zinc/76/95/07/570769507.db2.gz KJZHKAMNLQZJJP-GOSISDBHSA-N 1 0 369.465 3.662 50 0 FHAARO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)NCc3ccccc3)ccc2c1 ZINC000012999915 570772007 /nfs/dbraw/zinc/77/20/07/570772007.db2.gz GDQIDGKTQBKINW-QGZVFWFLSA-N 1 0 362.473 3.985 50 0 FHAARO COc1cc(OC)cc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000004554760 570774085 /nfs/dbraw/zinc/77/40/85/570774085.db2.gz GJPCUPGAKIAGHH-UHFFFAOYSA-N 1 0 354.450 3.942 50 0 FHAARO COc1ccc(C[C@@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)cc1OC ZINC000004989492 570774882 /nfs/dbraw/zinc/77/48/82/570774882.db2.gz JTFOBBVDBIYLDQ-GOSISDBHSA-N 1 0 368.521 3.889 50 0 FHAARO COc1cc(C[NH2+]C(C)C)ccc1OCC(=O)Nc1ccccc1Cl ZINC000004838107 570775502 /nfs/dbraw/zinc/77/55/02/570775502.db2.gz GYMGUIXNMNZADP-UHFFFAOYSA-N 1 0 362.857 3.864 50 0 FHAARO CCOc1cc(C[NH2+]CCC(C)C)ccc1OCC(=O)NC(C)(C)C ZINC000013724303 570787224 /nfs/dbraw/zinc/78/72/24/570787224.db2.gz HRYPUAICBQLTFX-UHFFFAOYSA-N 1 0 350.503 3.515 50 0 FHAARO O=C1CCCN1CCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000013727508 570787685 /nfs/dbraw/zinc/78/76/85/570787685.db2.gz QUOFFWHZZPRCGB-UHFFFAOYSA-N 1 0 356.441 3.507 50 0 FHAARO CCOc1cccc(CNCCC[NH+](C)C)c1OCc1ccccc1F ZINC000013736301 570788687 /nfs/dbraw/zinc/78/86/87/570788687.db2.gz FEYXWQFBRIGBAM-UHFFFAOYSA-N 1 0 360.473 3.845 50 0 FHAARO Cn1c(CC[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000013815170 570792053 /nfs/dbraw/zinc/79/20/53/570792053.db2.gz KSRJKQNNRHEEFX-UHFFFAOYSA-N 1 0 362.477 3.854 50 0 FHAARO COc1cccc([C@H](CNc2ncnc3sccc32)[NH+]2CCCC2)c1 ZINC000014123932 570806906 /nfs/dbraw/zinc/80/69/06/570806906.db2.gz MEJATGJKAUKNLS-KRWDZBQOSA-N 1 0 354.479 3.949 50 0 FHAARO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 ZINC000014183761 570810886 /nfs/dbraw/zinc/81/08/86/570810886.db2.gz RGXSHXILSFYWEI-AWEZNQCLSA-N 1 0 369.465 3.505 50 0 FHAARO COc1ccc(CC(=O)N(C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C(C)C)cc1 ZINC000583647554 570812103 /nfs/dbraw/zinc/81/21/03/570812103.db2.gz GGRXMHLVJVQUJE-CTNGQTDRSA-N 1 0 358.526 3.739 50 0 FHAARO Cc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1Cl ZINC000018177052 570813891 /nfs/dbraw/zinc/81/38/91/570813891.db2.gz WPSRJSHJNXCLSV-UHFFFAOYSA-N 1 0 365.905 3.805 50 0 FHAARO C[C@H](CSc1nnc(-c2ccncc2)n1-c1ccccc1)C[NH+](C)C ZINC000018196135 570814705 /nfs/dbraw/zinc/81/47/05/570814705.db2.gz QZEAZYITNYMPKI-HNNXBMFYSA-N 1 0 353.495 3.619 50 0 FHAARO O=C(Nc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1)c1ccco1 ZINC000014236065 570814996 /nfs/dbraw/zinc/81/49/96/570814996.db2.gz QRYTXCKBXYTGMZ-UHFFFAOYSA-N 1 0 369.465 3.528 50 0 FHAARO c1coc(CN2CCC([N@H+]3CCO[C@@H](CCCc4ccccc4)C3)CC2)c1 ZINC000015065850 570831007 /nfs/dbraw/zinc/83/10/07/570831007.db2.gz JBMDUUUPIUGHDG-QHCPKHFHSA-N 1 0 368.521 3.968 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)[NH+]2CCCCC2)o1 ZINC000015860197 570846041 /nfs/dbraw/zinc/84/60/41/570846041.db2.gz YUTOQRQBEVUUOZ-LJQANCHMSA-N 1 0 370.493 3.927 50 0 FHAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)c(OC)c1 ZINC000015866943 570847080 /nfs/dbraw/zinc/84/70/80/570847080.db2.gz WUCCVITWWQHMFN-HNNXBMFYSA-N 1 0 360.454 3.908 50 0 FHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cncn1-c1ccccc1 ZINC000016507881 570857455 /nfs/dbraw/zinc/85/74/55/570857455.db2.gz ICRKURMAYNKDTQ-UHFFFAOYSA-N 1 0 374.488 3.788 50 0 FHAARO Cc1ccccc1O[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016604354 570858599 /nfs/dbraw/zinc/85/85/99/570858599.db2.gz XTCFXHDHCWBMIT-SFHVURJKSA-N 1 0 352.478 3.543 50 0 FHAARO COc1ccccc1CC[NH2+]Cc1cc(Br)ccc1OC ZINC000019720619 570873449 /nfs/dbraw/zinc/87/34/49/570873449.db2.gz SNBMMXAZAYLYSK-UHFFFAOYSA-N 1 0 350.256 3.799 50 0 FHAARO CC1CC[NH+](CCNC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CC1 ZINC000071932897 570874868 /nfs/dbraw/zinc/87/48/68/570874868.db2.gz ZDIYGIUWWNBDNO-UHFFFAOYSA-N 1 0 358.486 3.979 50 0 FHAARO CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000012082347 570889434 /nfs/dbraw/zinc/88/94/34/570889434.db2.gz NTDMOJVJHXCFHE-IZZDOVSWSA-N 1 0 364.493 3.609 50 0 FHAARO C[C@@H]1C[NH+](C2CCN(Cc3ccccc3Br)CC2)C[C@@H](C)O1 ZINC000019888865 570905450 /nfs/dbraw/zinc/90/54/50/570905450.db2.gz AQDBYXKBXZXASE-HUUCEWRRSA-N 1 0 367.331 3.523 50 0 FHAARO CN1CC[NH+](C2(CNC(=O)c3ccc(C(C)(C)C)cc3)CCCCC2)CC1 ZINC000019902182 570905864 /nfs/dbraw/zinc/90/58/64/570905864.db2.gz NKXGFAHVHMZMBQ-UHFFFAOYSA-N 1 0 371.569 3.664 50 0 FHAARO c1cc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)n(-c2ccccn2)c1 ZINC000019938977 570907141 /nfs/dbraw/zinc/90/71/41/570907141.db2.gz CBYQKBVFMXBBEM-NRFANRHFSA-N 1 0 372.516 3.594 50 0 FHAARO C[C@H](CNC(=S)NCCSc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000109030888 570911127 /nfs/dbraw/zinc/91/11/27/570911127.db2.gz VLNDUWHWWIRHLU-JKSUJKDBSA-N 1 0 351.585 3.506 50 0 FHAARO Clc1ccc(COc2cccc(C[NH2+]CCCN3CCOCC3)c2)cc1 ZINC000020457158 570917163 /nfs/dbraw/zinc/91/71/63/570917163.db2.gz KDGXRGCEOAKDQB-UHFFFAOYSA-N 1 0 374.912 3.731 50 0 FHAARO c1cnn(-c2ccc(N3CCC([N@@H+]4CCc5sccc5C4)CC3)cc2)c1 ZINC000020542937 570919618 /nfs/dbraw/zinc/91/96/18/570919618.db2.gz FVIPFUQKUUCBIY-UHFFFAOYSA-N 1 0 364.518 3.961 50 0 FHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1csc(-c2cccs2)n1 ZINC000021938451 570936207 /nfs/dbraw/zinc/93/62/07/570936207.db2.gz GNFJWXXCOMSECA-UHFFFAOYSA-N 1 0 357.504 3.863 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccccc2-n2cccn2)C1 ZINC000048314887 570945503 /nfs/dbraw/zinc/94/55/03/570945503.db2.gz AIBWXVXKRGBGCT-HDICACEKSA-N 1 0 369.513 3.752 50 0 FHAARO Cc1ccc2c(CN3CCN(Cc4cccc(F)c4)CC3)cc(=O)oc2c1 ZINC000022752975 570949310 /nfs/dbraw/zinc/94/93/10/570949310.db2.gz QKYFTJAFLSJTGQ-UHFFFAOYSA-N 1 0 366.436 3.558 50 0 biogenic,in-vitro FHAARO CN(C(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccccc1 ZINC000022803044 570949966 /nfs/dbraw/zinc/94/99/66/570949966.db2.gz LYWCBEBJNUQURE-UHFFFAOYSA-N 1 0 373.500 3.620 50 0 FHAARO Cc1ccc(C(=O)Nc2cccc(CNC3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000022820511 570950816 /nfs/dbraw/zinc/95/08/16/570950816.db2.gz PWERUMSCUFZEMO-UHFFFAOYSA-N 1 0 363.505 3.964 50 0 FHAARO CC(C)N1CC[N@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1CCO ZINC000022852392 570951452 /nfs/dbraw/zinc/95/14/52/570951452.db2.gz IFRFVOYIUCUUKO-SFHVURJKSA-N 1 0 352.478 3.863 50 0 FHAARO Cc1cccc2c(C(=O)N(C)C)cc(-c3cnn(-c4cc[nH+]cc4C)c3)nc12 ZINC000023311150 570961445 /nfs/dbraw/zinc/96/14/45/570961445.db2.gz RNXHSBDIONZBMQ-UHFFFAOYSA-N 1 0 371.444 3.801 50 0 FHAARO CCN(Cc1cc(C)n[nH]1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000023338645 570961685 /nfs/dbraw/zinc/96/16/85/570961685.db2.gz XZPLOWXLJSBGFX-HXUWFJFHSA-N 1 0 370.541 3.503 50 0 FHAARO CCC[C@@H](NC(=O)[C@H](C)[NH2+]CCOc1ccccc1F)c1ccccc1 ZINC000049581039 570964925 /nfs/dbraw/zinc/96/49/25/570964925.db2.gz NEYHJMQJMKWEME-QFBILLFUSA-N 1 0 358.457 3.840 50 0 FHAARO Cc1c(C(=O)NCC[NH+](C(C)C)C(C)C)cnn1-c1cccc(Cl)c1 ZINC000024544093 570977568 /nfs/dbraw/zinc/97/75/68/570977568.db2.gz VAHNKGKZEKVPII-UHFFFAOYSA-N 1 0 362.905 3.683 50 0 FHAARO C[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccc(-n2cncn2)cc1 ZINC000025364343 570994829 /nfs/dbraw/zinc/99/48/29/570994829.db2.gz GNCZVNKFIINQMT-CYBMUJFWSA-N 1 0 357.255 3.881 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000025421999 570995517 /nfs/dbraw/zinc/99/55/17/570995517.db2.gz XDRQLLLLMFXKOG-OAQYLSRUSA-N 1 0 364.489 3.557 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)cc1 ZINC000026311027 571004724 /nfs/dbraw/zinc/00/47/24/571004724.db2.gz WYQRHSOESXESQB-OAHLLOKOSA-N 1 0 364.486 3.707 50 0 FHAARO COc1cccc([C@@H](CNC(=O)c2cc(C)c(C)s2)[NH+]2CCCC2)c1 ZINC000027340556 571011439 /nfs/dbraw/zinc/01/14/39/571011439.db2.gz CAKSDIOXSCZLJV-GOSISDBHSA-N 1 0 358.507 3.940 50 0 FHAARO COc1cccc([C@H](CNC(=O)c2cc(C)c(C)s2)[NH+]2CCCC2)c1 ZINC000027340558 571011502 /nfs/dbraw/zinc/01/15/02/571011502.db2.gz CAKSDIOXSCZLJV-SFHVURJKSA-N 1 0 358.507 3.940 50 0 FHAARO COc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027581507 571014555 /nfs/dbraw/zinc/01/45/55/571014555.db2.gz CINMGHWPKQRDBR-IBGZPJMESA-N 1 0 358.869 3.916 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2ccccc2C)[NH+]2CCCCC2)cc1 ZINC000027667725 571018443 /nfs/dbraw/zinc/01/84/43/571018443.db2.gz KSNUVMJVAJBFOS-NRFANRHFSA-N 1 0 352.478 3.961 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000027667629 571018505 /nfs/dbraw/zinc/01/85/05/571018505.db2.gz OEYKOIXZUSLPCC-HXUWFJFHSA-N 1 0 368.477 3.661 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2c(C)cccc2C)[NH+]2CCCC2)cc1 ZINC000027749461 571020552 /nfs/dbraw/zinc/02/05/52/571020552.db2.gz BUCWASZDXZOMKJ-NRFANRHFSA-N 1 0 366.505 3.944 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)COc1ccccc1Cl)c1ccccc1 ZINC000028291894 571030495 /nfs/dbraw/zinc/03/04/95/571030495.db2.gz ZXSDJCGRAGHYLU-SFHVURJKSA-N 1 0 360.885 3.918 50 0 FHAARO C[C@H](NC(=O)Nc1cnn(-c2ccccc2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000225389800 571032512 /nfs/dbraw/zinc/03/25/12/571032512.db2.gz GGIJBLVRKNCPIV-OXJNMPFZSA-N 1 0 363.465 3.685 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000072280565 571034811 /nfs/dbraw/zinc/03/48/11/571034811.db2.gz UGAQJLKMVIAPLH-OAQYLSRUSA-N 1 0 368.525 3.827 50 0 FHAARO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000083877785 571055681 /nfs/dbraw/zinc/05/56/81/571055681.db2.gz VPWFJEPOCHKNTP-LLVKDONJSA-N 1 0 369.309 3.940 50 0 FHAARO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1csc(-c2cccs2)n1 ZINC000225731436 571060069 /nfs/dbraw/zinc/06/00/69/571060069.db2.gz IGDIJQDFWSLKNB-HNNXBMFYSA-N 1 0 363.552 3.651 50 0 FHAARO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@H]1CCCC(F)(F)C1 ZINC000225769798 571063989 /nfs/dbraw/zinc/06/39/89/571063989.db2.gz ZEOPUSNIWMFZST-HNNXBMFYSA-N 1 0 367.440 3.731 50 0 FHAARO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000072308816 571066703 /nfs/dbraw/zinc/06/67/03/571066703.db2.gz ZTWSFFSBFYQQQV-GJZGRUSLSA-N 1 0 371.447 3.696 50 0 FHAARO C[NH+](C)C1(CNC(=O)c2cc(Br)ccc2Cl)CCCC1 ZINC000040092697 571075630 /nfs/dbraw/zinc/07/56/30/571075630.db2.gz KWUMQVRINHWDJF-UHFFFAOYSA-N 1 0 359.695 3.707 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)CCCc1c[nH]c2ccccc12)c1cccs1 ZINC000032970911 571077755 /nfs/dbraw/zinc/07/77/55/571077755.db2.gz FPRDXLPDRWOGQM-GOSISDBHSA-N 1 0 355.507 3.971 50 0 FHAARO O=C(CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1)Nc1cccc(Cl)c1 ZINC000025950002 571092230 /nfs/dbraw/zinc/09/22/30/571092230.db2.gz KZHLMPRUTWTGAX-SFHVURJKSA-N 1 0 371.868 3.772 50 0 FHAARO CCOC(=O)c1cc(CC)sc1NC(=O)CC[NH2+]C1CCCCC1 ZINC000000859567 571094199 /nfs/dbraw/zinc/09/41/99/571094199.db2.gz LEHLGOHMIVTMMX-UHFFFAOYSA-N 1 0 352.500 3.738 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)CSc1ccc(Cl)cc1)c1cccs1 ZINC000012778334 571097257 /nfs/dbraw/zinc/09/72/57/571097257.db2.gz ZEUPNZNLRSIGTB-CQSZACIVSA-N 1 0 354.928 3.913 50 0 FHAARO C[NH+](C)C1(CNC(=O)Nc2ccc(Cc3ccncc3)cc2)CCCC1 ZINC000069529274 571098675 /nfs/dbraw/zinc/09/86/75/571098675.db2.gz GRBVFGOAMXRVPQ-UHFFFAOYSA-N 1 0 352.482 3.668 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1noc2c1CSc1ccccc1-2 ZINC000015674062 571101963 /nfs/dbraw/zinc/10/19/63/571101963.db2.gz BEFZNMUXOBNQBI-CQSZACIVSA-N 1 0 371.506 3.942 50 0 FHAARO CCC[C@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)CC1 ZINC000015679352 571103406 /nfs/dbraw/zinc/10/34/06/571103406.db2.gz UHFRIQJFQGHENT-KRWDZBQOSA-N 1 0 354.498 3.640 50 0 FHAARO CCC[NH+](CCC)CCNc1nc(C)nc2oc(C)c(C(=O)OCC)c21 ZINC000015727403 571110583 /nfs/dbraw/zinc/11/05/83/571110583.db2.gz KKYJUFHXDKFENC-UHFFFAOYSA-N 1 0 362.474 3.550 50 0 FHAARO O=C(c1cc(C2CC2)on1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000241809991 571110577 /nfs/dbraw/zinc/11/05/77/571110577.db2.gz SCFUTXMZQFWOKF-UXHICEINSA-N 1 0 365.477 3.821 50 0 FHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccccc2Br)C1 ZINC000013671169 571110754 /nfs/dbraw/zinc/11/07/54/571110754.db2.gz OCFAFQONPGNIGR-KBPBESRZSA-N 1 0 353.304 3.547 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ccc3ccccc32)s1 ZINC000015732313 571112072 /nfs/dbraw/zinc/11/20/72/571112072.db2.gz KVRGAKSOTZGEFE-INIZCTEOSA-N 1 0 353.491 3.906 50 0 FHAARO Cc1ccc(OC2CC[NH+](CCC(=O)NCc3cccs3)CC2)cc1 ZINC000244673714 571114301 /nfs/dbraw/zinc/11/43/01/571114301.db2.gz HUIOANMUNMLCAG-UHFFFAOYSA-N 1 0 358.507 3.606 50 0 FHAARO CN(Cc1cc(-c2ccccn2)no1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000244708268 571114642 /nfs/dbraw/zinc/11/46/42/571114642.db2.gz KQKBDTACOSACJE-IBGZPJMESA-N 1 0 362.477 3.691 50 0 FHAARO Cc1c([C@H](C)[NH2+]Cc2cccc3nonc32)cnn1-c1ccc(F)cc1F ZINC000055089024 571116110 /nfs/dbraw/zinc/11/61/10/571116110.db2.gz KQXLVPDCMKPSHP-NSHDSACASA-N 1 0 369.375 3.846 50 0 FHAARO CC1CC[NH+](Cc2ccc(C(=O)NCc3cccc4[nH]ccc43)o2)CC1 ZINC000244748764 571116179 /nfs/dbraw/zinc/11/61/79/571116179.db2.gz OOAOTUZALMNUAG-UHFFFAOYSA-N 1 0 351.450 3.923 50 0 FHAARO O=C(c1ccc(CSc2ccccn2)cc1)N1CC([NH+]2CCCCC2)C1 ZINC000244873528 571118390 /nfs/dbraw/zinc/11/83/90/571118390.db2.gz WRUNEDMPCXKQRU-UHFFFAOYSA-N 1 0 367.518 3.684 50 0 FHAARO COc1ccc(CN(Cc2cccc(F)c2)C(=O)CC2=CC[NH2+]CC2)cc1 ZINC000055310045 571119135 /nfs/dbraw/zinc/11/91/35/571119135.db2.gz CLUDAWYQQFLGPG-UHFFFAOYSA-N 1 0 368.452 3.673 50 0 FHAARO CC(C)[C@H](C)N(Cc1ccco1)C(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC000055325806 571119497 /nfs/dbraw/zinc/11/94/97/571119497.db2.gz ISRZPQXWTYQFJM-SFHVURJKSA-N 1 0 369.509 4.000 50 0 FHAARO Cc1ccc(C)c(OCC[N@@H+](C)Cc2cc3ccccc3n(C)c2=O)c1 ZINC000055327372 571119528 /nfs/dbraw/zinc/11/95/28/571119528.db2.gz QVXWFMOMNDBXDG-UHFFFAOYSA-N 1 0 350.462 3.666 50 0 FHAARO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)cccc1C(=O)NC(C)(C)C ZINC000055369689 571119930 /nfs/dbraw/zinc/11/99/30/571119930.db2.gz KSYDCNRKKSJLGX-MRXNPFEDSA-N 1 0 359.514 3.582 50 0 FHAARO COc1cc(C[NH2+]CCOc2ccccn2)ccc1OCc1cccs1 ZINC000057354909 571122353 /nfs/dbraw/zinc/12/23/53/571122353.db2.gz PUMWMUQKAJDRJZ-UHFFFAOYSA-N 1 0 370.474 3.899 50 0 FHAARO CC[C@H](CNC(=O)[C@H](C)OCc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000058014220 571123957 /nfs/dbraw/zinc/12/39/57/571123957.db2.gz XNWJYNCWVLCDBN-PGRDOPGGSA-N 1 0 366.505 3.545 50 0 FHAARO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2coc(-c3ccccc3)n2)c1 ZINC000058186070 571127630 /nfs/dbraw/zinc/12/76/30/571127630.db2.gz SFKLLPXFOXXXOM-UHFFFAOYSA-N 1 0 363.461 3.652 50 0 FHAARO CC[C@@H](CO)[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248160197 571128303 /nfs/dbraw/zinc/12/83/03/571128303.db2.gz KPHZKUXJGWJWPF-SFHVURJKSA-N 1 0 370.884 3.507 50 0 FHAARO O=C(Cc1c[nH]c2ccccc12)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058201189 571128390 /nfs/dbraw/zinc/12/83/90/571128390.db2.gz MLIQQVNHFZDYPW-INIZCTEOSA-N 1 0 367.518 3.800 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCSc2ccccc2)C1 ZINC000058202203 571128845 /nfs/dbraw/zinc/12/88/45/571128845.db2.gz KJWXXBNOBQNZNW-QZTJIDSGSA-N 1 0 363.571 3.836 50 0 FHAARO CCOc1cccc([C@H](C)NC(=O)NCc2ccc(N3CCCC3)nc2)c1 ZINC000058230109 571130003 /nfs/dbraw/zinc/13/00/03/571130003.db2.gz JLHWBRHRHCKESY-INIZCTEOSA-N 1 0 368.481 3.641 50 0 FHAARO COc1ccc2oc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c(C)c2c1 ZINC000012860847 571130036 /nfs/dbraw/zinc/13/00/36/571130036.db2.gz UCWOOPQBWMKXGH-SFHVURJKSA-N 1 0 352.434 3.783 50 0 FHAARO OC1(c2ccccc2)CCN(C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000252480450 571131453 /nfs/dbraw/zinc/13/14/53/571131453.db2.gz CALDAGNILDXIDF-JOCHJYFZSA-N 1 0 350.506 3.635 50 0 FHAARO C[C@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058406578 571132295 /nfs/dbraw/zinc/13/22/95/571132295.db2.gz PLNCYSJHWFHWBA-HNNXBMFYSA-N 1 0 364.917 3.878 50 0 FHAARO O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](CCCc2nc3ccccc3o2)C1 ZINC000058411610 571132660 /nfs/dbraw/zinc/13/26/60/571132660.db2.gz HSITYZIOQAOQTI-QGZVFWFLSA-N 1 0 369.509 3.921 50 0 FHAARO OCCOc1cccc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)c1 ZINC000063832868 571139948 /nfs/dbraw/zinc/13/99/48/571139948.db2.gz LAZKTHOBSBJHRQ-HXUWFJFHSA-N 1 0 355.478 3.751 50 0 FHAARO CCCn1ncc(-c2ccnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)n2)c1C ZINC000063845814 571140193 /nfs/dbraw/zinc/14/01/93/571140193.db2.gz BRWJROJPTLSMBN-UHFFFAOYSA-N 1 0 356.518 3.780 50 0 FHAARO Cc1nc(C)n(C[C@H](C)c2nc(-c3ccccc3)nn2-c2cc[nH+]cc2C)n1 ZINC000063882271 571140604 /nfs/dbraw/zinc/14/06/04/571140604.db2.gz MTVUDLDYBACALF-HNNXBMFYSA-N 1 0 373.464 3.650 50 0 FHAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1cccc(C(=O)Nc2cccnc2)c1 ZINC000065380606 571142332 /nfs/dbraw/zinc/14/23/32/571142332.db2.gz LKFBFOCIRMOEFR-QGZVFWFLSA-N 1 0 360.461 3.792 50 0 FHAARO Cc1nccn1[C@H](C)c1nc(CCc2ccccc2)nn1-c1cc[nH+]c(C)c1 ZINC000065387025 571142403 /nfs/dbraw/zinc/14/24/03/571142403.db2.gz BPZPILZEKMHQRB-QGZVFWFLSA-N 1 0 372.476 3.870 50 0 FHAARO CC[C@@H](Cn1cnc(-c2ccccc2)c1-c1ccncc1)[NH+]1CCOCC1 ZINC000065387691 571142643 /nfs/dbraw/zinc/14/26/43/571142643.db2.gz UTIZTNUFNLCAOA-FQEVSTJZSA-N 1 0 362.477 3.723 50 0 FHAARO COc1ncccc1C[N@@H+]1CC[C@H](c2ccnc(-c3cccc(O)c3)c2)C1 ZINC000065397295 571142730 /nfs/dbraw/zinc/14/27/30/571142730.db2.gz BBAUQYUOXPNPPE-SFHVURJKSA-N 1 0 361.445 3.847 50 0 FHAARO COc1cccc(C[C@H](C)[NH2+]C2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000065403511 571142944 /nfs/dbraw/zinc/14/29/44/571142944.db2.gz LGXFAEKMBNRDEM-KRWDZBQOSA-N 1 0 367.493 3.912 50 0 FHAARO O=C(Nc1cccc(F)c1)c1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000065469553 571144241 /nfs/dbraw/zinc/14/42/41/571144241.db2.gz UUSZVBXCSZIYIN-HXUWFJFHSA-N 1 0 356.441 3.815 50 0 FHAARO COc1ccc(-c2nc(CN3CC[NH2+][C@H](C)C3)c(C)o2)c2ccccc12 ZINC000067458601 571146640 /nfs/dbraw/zinc/14/66/40/571146640.db2.gz VOXZHIHTOBTCJC-CQSZACIVSA-N 1 0 351.450 3.606 50 0 FHAARO COc1cc(Oc2cc(-c3nc(C)no3)ccn2)ccc1C[NH+]1CCCC1 ZINC000067515363 571146969 /nfs/dbraw/zinc/14/69/69/571146969.db2.gz FCIFLTRTOVAMJH-UHFFFAOYSA-N 1 0 366.421 3.837 50 0 FHAARO COc1cc(Oc2ccc(-c3nc(C)no3)cn2)ccc1C[NH+]1CCCC1 ZINC000067649846 571147804 /nfs/dbraw/zinc/14/78/04/571147804.db2.gz KVQXZDCAOUSUND-UHFFFAOYSA-N 1 0 366.421 3.837 50 0 FHAARO Cc1cc(-n2nc(C(C)C)nc2-c2cc(=O)[nH]c3ccc(F)cc32)cc[nH+]1 ZINC000067641329 571147862 /nfs/dbraw/zinc/14/78/62/571147862.db2.gz XFNINMWBPATNCZ-UHFFFAOYSA-N 1 0 363.396 3.742 50 0 FHAARO COC[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000067643645 571147870 /nfs/dbraw/zinc/14/78/70/571147870.db2.gz VNHIMAKQTXRDHE-QGZVFWFLSA-N 1 0 360.404 3.828 50 0 FHAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1-c1cc(-c2ccccc2O)n[nH]1 ZINC000067771765 571149167 /nfs/dbraw/zinc/14/91/67/571149167.db2.gz PPIFFYPCJRWJEU-UHFFFAOYSA-N 1 0 358.405 3.611 50 0 FHAARO CC[N@@H+](Cc1cccc(C(=O)Nc2c(C)noc2C)c1)C[C@H]1CCCO1 ZINC000067757481 571149403 /nfs/dbraw/zinc/14/94/03/571149403.db2.gz FDMAVCCVYRBVRZ-GOSISDBHSA-N 1 0 357.454 3.545 50 0 FHAARO Cc1c(NC(=O)c2cccc(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)c2)cnn1C ZINC000067879419 571150904 /nfs/dbraw/zinc/15/09/04/571150904.db2.gz MWRSIIJDFLKUPC-ICSRJNTNSA-N 1 0 366.509 3.993 50 0 FHAARO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccccn2)CC1)c1nc(C)c(C)s1 ZINC000067872457 571150949 /nfs/dbraw/zinc/15/09/49/571150949.db2.gz RUJWWVFXLARXQN-MRXNPFEDSA-N 1 0 358.511 3.500 50 0 FHAARO Cc1noc(-c2ccnc(Oc3cccc(C[NH+]4CCCC4)c3F)c2)n1 ZINC000067885007 571151168 /nfs/dbraw/zinc/15/11/68/571151168.db2.gz AZSFLHNGUCKBSU-UHFFFAOYSA-N 1 0 354.385 3.967 50 0 FHAARO CC[N@@H+]1CC[C@H](CN2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)C1 ZINC000067934389 571152108 /nfs/dbraw/zinc/15/21/08/571152108.db2.gz ALUWEYBEYGERAA-INIZCTEOSA-N 1 0 372.534 3.965 50 0 FHAARO COc1ccccc1[C@H](C)[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067954531 571152429 /nfs/dbraw/zinc/15/24/29/571152429.db2.gz DZXZNGNVZWQLPJ-KRWDZBQOSA-N 1 0 352.478 3.993 50 0 FHAARO Cc1cccc(N2CCC([NH2+]Cc3nc(-c4cccnc4)no3)CC2)c1C ZINC000067983493 571152869 /nfs/dbraw/zinc/15/28/69/571152869.db2.gz CCHIVMTXDYSKJK-UHFFFAOYSA-N 1 0 363.465 3.507 50 0 FHAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C[C@@H]2CCC[N@H+]2C)CCO3)s1 ZINC000067974009 571152904 /nfs/dbraw/zinc/15/29/04/571152904.db2.gz WVEHHWZJRKUYPE-KRWDZBQOSA-N 1 0 358.507 3.718 50 0 FHAARO COc1ccc(Br)cc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000075109662 571156073 /nfs/dbraw/zinc/15/60/73/571156073.db2.gz RHYGWYIIVLUOGX-LLVKDONJSA-N 1 0 372.307 3.556 50 0 FHAARO CNC(=O)[C@@H](C)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000071315212 571160640 /nfs/dbraw/zinc/16/06/40/571160640.db2.gz DFABSUQYNLLUAK-OAHLLOKOSA-N 1 0 361.445 3.501 50 0 FHAARO COc1cc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)cc(Cl)c1O ZINC000071497688 571162569 /nfs/dbraw/zinc/16/25/69/571162569.db2.gz QNRYRPNPKWPOFH-SFHVURJKSA-N 1 0 366.933 3.997 50 0 FHAARO Cc1nn(C)c(Cl)c1CNC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000060527693 571162956 /nfs/dbraw/zinc/16/29/56/571162956.db2.gz OFAMFCMWOKIABS-IBGZPJMESA-N 1 0 360.933 3.945 50 0 FHAARO OC1CC[NH+](CCn2ccnc2-c2cccc3c4ccccc4oc32)CC1 ZINC000071639578 571163287 /nfs/dbraw/zinc/16/32/87/571163287.db2.gz VDWBGLKSDQMDST-UHFFFAOYSA-N 1 0 361.445 3.906 50 0 FHAARO [NH3+]C1(C(=O)N2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)CCC1 ZINC000071639666 571163316 /nfs/dbraw/zinc/16/33/16/571163316.db2.gz YJJNDMATAWGXNZ-OAHLLOKOSA-N 1 0 354.416 3.758 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CCC[N@@H+]1CC1CC1 ZINC000071708093 571163580 /nfs/dbraw/zinc/16/35/80/571163580.db2.gz SGBQXGGOZJVWLC-OAQYLSRUSA-N 1 0 366.509 3.659 50 0 FHAARO CCCn1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c(C)n1 ZINC000071735979 571164068 /nfs/dbraw/zinc/16/40/68/571164068.db2.gz VJIRXLHKKMWEMP-YTFSRNRJSA-N 1 0 364.537 3.664 50 0 FHAARO O=C(C1CC1)N1CCC([N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071736300 571164115 /nfs/dbraw/zinc/16/41/15/571164115.db2.gz CFYTYTSLRMGEEW-SFHVURJKSA-N 1 0 358.501 3.871 50 0 FHAARO Cc1cccnc1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071747486 571164326 /nfs/dbraw/zinc/16/43/26/571164326.db2.gz NGZZVXXHVLVMSV-NRFANRHFSA-N 1 0 369.484 3.788 50 0 FHAARO COc1ccc2cc([C@@H]3C[N@H+](CCCn4cc(C)cn4)CCO3)ccc2c1 ZINC000071747016 571164345 /nfs/dbraw/zinc/16/43/45/571164345.db2.gz HFZQKNADGSOXCW-QFIPXVFZSA-N 1 0 365.477 3.817 50 0 FHAARO COCc1cc(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)ccc1OC ZINC000071749452 571164635 /nfs/dbraw/zinc/16/46/35/571164635.db2.gz DMTAYFRAOOYBMJ-OAQYLSRUSA-N 1 0 360.542 3.784 50 0 FHAARO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(Br)c1 ZINC000071769337 571166287 /nfs/dbraw/zinc/16/62/87/571166287.db2.gz GSRVTVHBVZTHNU-OAHLLOKOSA-N 1 0 351.288 3.586 50 0 FHAARO COc1ccnc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1 ZINC000071776373 571166520 /nfs/dbraw/zinc/16/65/20/571166520.db2.gz SVTUKWAVMGNGCK-QFIPXVFZSA-N 1 0 371.500 3.962 50 0 FHAARO Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2ccc(Cn3ccnc3)cn2)c1 ZINC000071775522 571166597 /nfs/dbraw/zinc/16/65/97/571166597.db2.gz ODZVFRXDRGRNOT-FQEVSTJZSA-N 1 0 362.477 3.774 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)NCc2ccco2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071774659 571166629 /nfs/dbraw/zinc/16/66/29/571166629.db2.gz HRVDUOJPVVGGKZ-FQEVSTJZSA-N 1 0 373.472 3.861 50 0 FHAARO COc1cc(C)ccc1C[NH+]1CCC2(CCN(C(=O)C(C)C)CC2)CC1 ZINC000072125542 571170336 /nfs/dbraw/zinc/17/03/36/571170336.db2.gz LUDGDIKVMKVFEF-UHFFFAOYSA-N 1 0 358.526 3.864 50 0 FHAARO CC(C)c1cc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)on1 ZINC000072134462 571171431 /nfs/dbraw/zinc/17/14/31/571171431.db2.gz VLDHQYBXERXZLY-CEMLEFRQSA-N 1 0 369.484 3.999 50 0 FHAARO Cc1ncnc(N2CCC([C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)c1C ZINC000072140177 571172062 /nfs/dbraw/zinc/17/20/62/571172062.db2.gz VIMICXIYHYLSLE-QFIPXVFZSA-N 1 0 364.537 3.874 50 0 FHAARO COc1ccccc1NC(=O)NC[C@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575619995 571172583 /nfs/dbraw/zinc/17/25/83/571172583.db2.gz HILMNAVAZUFZFB-MRXNPFEDSA-N 1 0 353.422 3.866 50 0 FHAARO COc1ccccc1CNc1nc(-c2c[nH]c3ccccc32)nc2c1C[NH2+]C2 ZINC000072152499 571174812 /nfs/dbraw/zinc/17/48/12/571174812.db2.gz HPPHPACYCLZWII-UHFFFAOYSA-N 1 0 371.444 3.849 50 0 FHAARO COCc1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)ccc1OC ZINC000072158788 571175369 /nfs/dbraw/zinc/17/53/69/571175369.db2.gz ONXFHZJKKCDQPZ-UHFFFAOYSA-N 1 0 372.484 3.689 50 0 FHAARO c1cnn(Cc2cccc(C[N@H+]3CCC[C@H](OCc4cccnc4)C3)c2)c1 ZINC000072158168 571175374 /nfs/dbraw/zinc/17/53/74/571175374.db2.gz KVZIZXGLFQRAOO-QFIPXVFZSA-N 1 0 362.477 3.508 50 0 FHAARO CCCNc1ncc(C[N@@H+]2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)cn1 ZINC000072159010 571175644 /nfs/dbraw/zinc/17/56/44/571175644.db2.gz XQHABAQJJTVNSK-QGZVFWFLSA-N 1 0 364.497 3.863 50 0 FHAARO CCN(C)C(=O)C[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072163237 571176029 /nfs/dbraw/zinc/17/60/29/571176029.db2.gz OQHXHHUDINQYBA-HNNXBMFYSA-N 1 0 356.432 3.828 50 0 FHAARO Oc1cccc(C[N@@H+]2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072163426 571176262 /nfs/dbraw/zinc/17/62/62/571176262.db2.gz UDTSYLJTZQSOJZ-BHDDXSALSA-N 1 0 370.443 3.733 50 0 FHAARO Fc1cccc(-n2cc(C[NH+]3CCC(OCc4cccnc4)CC3)cn2)c1 ZINC000072165021 571176479 /nfs/dbraw/zinc/17/64/79/571176479.db2.gz JGUZLVIUNGBHBU-UHFFFAOYSA-N 1 0 366.440 3.588 50 0 FHAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc3nsnc3c2)CC1 ZINC000072171457 571177605 /nfs/dbraw/zinc/17/76/05/571177605.db2.gz NJOZDBYKHXVARK-UHFFFAOYSA-N 1 0 351.475 3.814 50 0 FHAARO COc1cccc(NC(=O)[C@H](NCC(C)(C)C[NH+](C)C)c2ccccc2)c1 ZINC000003280544 571178706 /nfs/dbraw/zinc/17/87/06/571178706.db2.gz NQHHMBWKJXCDBX-HXUWFJFHSA-N 1 0 369.509 3.552 50 0 FHAARO C[N@H+](CCCc1nn2c(nnc2-c2ccccc2)s1)Cc1ccccc1 ZINC000072333591 571178730 /nfs/dbraw/zinc/17/87/30/571178730.db2.gz RUPBMVSEUSJYPM-UHFFFAOYSA-N 1 0 363.490 3.917 50 0 FHAARO COc1ccc(OC)c2nc(-c3cccc(C)c3)c(C[N@H+](C)CCO)cc12 ZINC000072407405 571191100 /nfs/dbraw/zinc/19/11/00/571191100.db2.gz LRXCOWJEEGVJMC-UHFFFAOYSA-N 1 0 366.461 3.652 50 0 FHAARO CCc1c(C)scc1C(=O)N(Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000072408549 571191407 /nfs/dbraw/zinc/19/14/07/571191407.db2.gz REJMXJYTDDPLLC-UHFFFAOYSA-N 1 0 357.523 3.751 50 0 FHAARO C[NH+](C)C[C@@H]1COCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000299755392 571191770 /nfs/dbraw/zinc/19/17/70/571191770.db2.gz BQWJHCGCPAKLRT-KRWDZBQOSA-N 1 0 369.465 3.521 50 0 FHAARO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)cc1 ZINC000299755285 571191870 /nfs/dbraw/zinc/19/18/70/571191870.db2.gz FQKCNHXWHNUXTM-SFHVURJKSA-N 1 0 354.498 3.946 50 0 FHAARO Cn1c(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc2ccccc21 ZINC000072421868 571193298 /nfs/dbraw/zinc/19/32/98/571193298.db2.gz IAMSSYXCFZKPBW-UHFFFAOYSA-N 1 0 373.500 3.841 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cccc(CCC(C)(C)O)c1)c1ccc(F)cc1 ZINC000072423449 571193820 /nfs/dbraw/zinc/19/38/20/571193820.db2.gz OZNQHHXRYHFOPW-HXUWFJFHSA-N 1 0 372.484 3.562 50 0 FHAARO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(/C=C/c2ccccn2)cc1 ZINC000299764250 571194335 /nfs/dbraw/zinc/19/43/35/571194335.db2.gz QZEBCPFKMKPGHS-OCXKFJFWSA-N 1 0 362.477 3.952 50 0 FHAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)Nc3cccc(-c4cccc(F)c4)c3)C[C@H]12 ZINC000299768069 571195134 /nfs/dbraw/zinc/19/51/34/571195134.db2.gz FRDOYGSAZVYBGO-OWZKRDHZSA-N 1 0 353.441 3.764 50 0 FHAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)NC1(C[NH+]2CCCC2)CCCCC1 ZINC000299769513 571195478 /nfs/dbraw/zinc/19/54/78/571195478.db2.gz XTUMQBNIAIGAGG-UHFFFAOYSA-N 1 0 367.497 3.997 50 0 FHAARO Cc1noc(CC2CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)CC2)n1 ZINC000072432579 571196121 /nfs/dbraw/zinc/19/61/21/571196121.db2.gz JYLJIICYZZKFLJ-UHFFFAOYSA-N 1 0 357.498 3.536 50 0 FHAARO Cc1nnc(CCNC(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3C)c2)s1 ZINC000299775348 571196737 /nfs/dbraw/zinc/19/67/37/571196737.db2.gz BKHVGCAPUQROMR-AWEZNQCLSA-N 1 0 373.526 3.585 50 0 FHAARO Cc1c(NC(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)cccc1N1CCCC1 ZINC000299776107 571196777 /nfs/dbraw/zinc/19/67/77/571196777.db2.gz NJNQKUGXRYQKDV-MRXNPFEDSA-N 1 0 356.514 3.686 50 0 FHAARO C[NH+](C)CC[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c(Cl)c1 ZINC000072456798 571197506 /nfs/dbraw/zinc/19/75/06/571197506.db2.gz MMJVJQMPBCAYQO-QGZVFWFLSA-N 1 0 363.933 3.887 50 0 FHAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cncc(Cl)c2)CC1 ZINC000072477965 571199494 /nfs/dbraw/zinc/19/94/94/571199494.db2.gz VIRMWUBFZFZNRS-UHFFFAOYSA-N 1 0 357.885 3.514 50 0 FHAARO Cc1nccn1-c1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000299786717 571199496 /nfs/dbraw/zinc/19/94/96/571199496.db2.gz POXKFQDUXKDFCP-UHFFFAOYSA-N 1 0 367.497 3.663 50 0 FHAARO CSc1ccccc1NC(=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000299791998 571201080 /nfs/dbraw/zinc/20/10/80/571201080.db2.gz GKAMNGSEXYYTLX-INIZCTEOSA-N 1 0 363.527 3.517 50 0 FHAARO CCc1oc(C(=O)N(C)C[C@H]2Cc3ccccc3O2)cc1C[NH+]1CCCC1 ZINC000299794389 571201524 /nfs/dbraw/zinc/20/15/24/571201524.db2.gz KMQSNNVAVVEOAB-GOSISDBHSA-N 1 0 368.477 3.514 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)N(CCO)Cc2ccco2)c1 ZINC000299795397 571201917 /nfs/dbraw/zinc/20/19/17/571201917.db2.gz MAXUOWDZEDYEEQ-QGZVFWFLSA-N 1 0 371.481 3.680 50 0 FHAARO COc1cc(F)c(-c2cccc(C(=O)N3CCC[C@@H]([NH3+])CC3)c2)cc1F ZINC000299796861 571202554 /nfs/dbraw/zinc/20/25/54/571202554.db2.gz PYASCHUORDGPDD-OAHLLOKOSA-N 1 0 360.404 3.594 50 0 FHAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)Cc2c(F)cccc2Cl)C1 ZINC000299802384 571203556 /nfs/dbraw/zinc/20/35/56/571203556.db2.gz ZAUMSROPZUDYEN-MRXNPFEDSA-N 1 0 374.887 3.968 50 0 FHAARO CN(C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1)C1CC[NH+](C)CC1 ZINC000534589060 571205649 /nfs/dbraw/zinc/20/56/49/571205649.db2.gz VPPNXGFHWMHTKU-IBGZPJMESA-N 1 0 372.900 3.560 50 0 FHAARO CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CC[NH2+]CC1 ZINC000077010817 571205786 /nfs/dbraw/zinc/20/57/86/571205786.db2.gz JECGTJDLWZESPM-UHFFFAOYSA-N 1 0 354.469 3.930 50 0 FHAARO O=C(NC1(C[NH+]2CCCCC2)CCCCC1)N(Cc1ccncc1)C1CC1 ZINC000534591731 571205868 /nfs/dbraw/zinc/20/58/68/571205868.db2.gz VBFBRUWMXTXIJG-UHFFFAOYSA-N 1 0 370.541 3.944 50 0 FHAARO CCCCN1C[C@@]2(CCC[N@H+](Cc3ccc(C(C)=O)cc3)C2)CCC1=O ZINC000077287629 571206285 /nfs/dbraw/zinc/20/62/85/571206285.db2.gz RVZGAPLOYKTHOI-QFIPXVFZSA-N 1 0 356.510 3.894 50 0 FHAARO CC(C)OCCCNC(=O)c1ccc(-c2cccc3c(N)cc[nH+]c32)cc1 ZINC000534658096 571207962 /nfs/dbraw/zinc/20/79/62/571207962.db2.gz MCRRLDWBLDRPTH-UHFFFAOYSA-N 1 0 363.461 3.859 50 0 FHAARO CCCCN1C[C@]2(CCC[N@H+](Cc3cnn(CCC)c3C)C2)CCC1=O ZINC000077406684 571210262 /nfs/dbraw/zinc/21/02/62/571210262.db2.gz KHDQJYBGDMBEMS-OAQYLSRUSA-N 1 0 360.546 3.606 50 0 FHAARO Cc1ccc(C(=O)CCC[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077407571 571210478 /nfs/dbraw/zinc/21/04/78/571210478.db2.gz MBENZWKGIJRFDM-QHCPKHFHSA-N 1 0 368.521 3.825 50 0 FHAARO CSCC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1cccc1 ZINC000263587988 571211474 /nfs/dbraw/zinc/21/14/74/571211474.db2.gz NTWAUWRXUXCIKA-HXUWFJFHSA-N 1 0 371.550 3.563 50 0 FHAARO O=C1CCCN1CCC1CC[NH+](Cc2cnc(C3CCCCC3)nc2)CC1 ZINC000077438429 571211536 /nfs/dbraw/zinc/21/15/36/571211536.db2.gz NAJFKENYLAMJRZ-UHFFFAOYSA-N 1 0 370.541 3.749 50 0 FHAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccco2)nc1 ZINC000077453038 571212028 /nfs/dbraw/zinc/21/20/28/571212028.db2.gz JNJFBKHRPYZYFK-SFHVURJKSA-N 1 0 351.454 3.686 50 0 FHAARO Cc1[nH]c2c(cc(F)cc2F)c1CC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000077470339 571212584 /nfs/dbraw/zinc/21/25/84/571212584.db2.gz PRHXAMDMSOMNDV-HNNXBMFYSA-N 1 0 364.436 3.615 50 0 FHAARO Cc1ncc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000077471645 571212843 /nfs/dbraw/zinc/21/28/43/571212843.db2.gz GNBZTUXYSMFFKM-HXUWFJFHSA-N 1 0 352.482 3.522 50 0 FHAARO O=C(c1ccc2ncccc2c1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077505525 571214035 /nfs/dbraw/zinc/21/40/35/571214035.db2.gz LHZASOLIQCKKQF-UHFFFAOYSA-N 1 0 371.484 3.550 50 0 FHAARO Cc1ccc(F)c(-c2ccc(C(=O)N3C[C@H]4[C@H](C[NH+](C)C)[C@H]4C3)cc2)c1 ZINC000426359554 571215135 /nfs/dbraw/zinc/21/51/35/571215135.db2.gz LQGCNHYQEVCBHC-OWZKRDHZSA-N 1 0 352.453 3.681 50 0 FHAARO Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2ccccc2C[NH+]2CCCC2)n1 ZINC000426361255 571215520 /nfs/dbraw/zinc/21/55/20/571215520.db2.gz JPWWEQNDAMCJOF-HXUWFJFHSA-N 1 0 366.509 3.521 50 0 FHAARO COc1cc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc(OC)c1OC ZINC000426370479 571216080 /nfs/dbraw/zinc/21/60/80/571216080.db2.gz KHCKXHWLDNVVLT-HNNXBMFYSA-N 1 0 357.450 3.773 50 0 FHAARO CC[C@@H]1CN(C(=O)c2cccc(-c3cc(C(F)(F)F)ccn3)c2)CC[NH2+]1 ZINC000426374190 571216868 /nfs/dbraw/zinc/21/68/68/571216868.db2.gz LREOXKQEBUWAJI-MRXNPFEDSA-N 1 0 363.383 3.591 50 0 FHAARO Cc1ccc(CN(Cc2ccncc2)C(=O)NC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000426379727 571216937 /nfs/dbraw/zinc/21/69/37/571216937.db2.gz MZPAFYCAXRLDDC-GOSISDBHSA-N 1 0 372.538 3.505 50 0 FHAARO CCCc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023127594 571217343 /nfs/dbraw/zinc/21/73/43/571217343.db2.gz LGQSAAMNMZHHBW-UHFFFAOYSA-N 1 0 364.555 3.572 50 0 FHAARO O=C(c1ccc(-c2ccc3c(c2)CCC3=O)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000426421820 571223076 /nfs/dbraw/zinc/22/30/76/571223076.db2.gz JVONSINBQCRCQM-XMMPIXPASA-N 1 0 374.484 3.698 50 0 FHAARO O=C(c1cccc(-c2ccc(OC(F)F)cc2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000426438931 571225270 /nfs/dbraw/zinc/22/52/70/571225270.db2.gz SXCCCNDEXQFYFQ-GOSISDBHSA-N 1 0 372.415 3.875 50 0 FHAARO Cc1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)c2ccc(F)cc2n1 ZINC000082106637 571228369 /nfs/dbraw/zinc/22/83/69/571228369.db2.gz VLQIPPLRZSMMPH-KRWDZBQOSA-N 1 0 355.457 3.773 50 0 FHAARO O=C(NCC[NH+]1CCCCCC1)c1cccc(-c2ccc3[nH]cnc3c2)c1 ZINC000426527704 571230367 /nfs/dbraw/zinc/23/03/67/571230367.db2.gz GVNLATMAGJCRJV-UHFFFAOYSA-N 1 0 362.477 3.836 50 0 FHAARO CC[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2c(F)cccc2Cl)C2CC2)C1 ZINC000426533693 571230503 /nfs/dbraw/zinc/23/05/03/571230503.db2.gz DENQAXKZSXISKF-AWEZNQCLSA-N 1 0 367.896 3.885 50 0 FHAARO CN(CC[NH+]1CCCC1)C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000426574880 571232018 /nfs/dbraw/zinc/23/20/18/571232018.db2.gz JSEREJCEAJOFEZ-LJQANCHMSA-N 1 0 372.900 3.562 50 0 FHAARO Cc1cccc(-c2ccccc2C(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000426623177 571233493 /nfs/dbraw/zinc/23/34/93/571233493.db2.gz GAOCIBRQOUXUMF-UHFFFAOYSA-N 1 0 352.478 3.503 50 0 FHAARO CC[C@H](O)c1ccc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000426674344 571234764 /nfs/dbraw/zinc/23/47/64/571234764.db2.gz WGSCRGLGTPYPME-NRFANRHFSA-N 1 0 352.478 3.623 50 0 FHAARO CCC(=O)c1cccc(-c2ccc(C(=O)N3CCCC[C@H]3C[NH3+])cc2)c1 ZINC000426683749 571234996 /nfs/dbraw/zinc/23/49/96/571234996.db2.gz GOEKKRGZMSJVOJ-FQEVSTJZSA-N 1 0 350.462 3.900 50 0 FHAARO CC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(C)s2)Cc2ccncc2)C1 ZINC000426739992 571236818 /nfs/dbraw/zinc/23/68/18/571236818.db2.gz ZKBGFINTEISBBB-SFHVURJKSA-N 1 0 372.538 3.505 50 0 FHAARO CC(C)N1CC2(CCC1=O)CC[NH+](Cc1ccc3cc(F)ccc3n1)CC2 ZINC000091254639 571238653 /nfs/dbraw/zinc/23/86/53/571238653.db2.gz SLHNGLATCIRMRG-UHFFFAOYSA-N 1 0 369.484 3.987 50 0 FHAARO O=c1cc(CN2CCC[N@H+](Cc3cccs3)CC2)[nH]c2ccc(F)cc12 ZINC000091304599 571238875 /nfs/dbraw/zinc/23/88/75/571238875.db2.gz PPNOBKFFLHNCDY-UHFFFAOYSA-N 1 0 371.481 3.849 50 0 FHAARO COCCn1ccnc1C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000091325474 571239010 /nfs/dbraw/zinc/23/90/10/571239010.db2.gz QQWQDKFUDMTFEC-UHFFFAOYSA-N 1 0 367.415 3.928 50 0 FHAARO Cc1c2ccc(C)cc2oc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091326961 571239021 /nfs/dbraw/zinc/23/90/21/571239021.db2.gz JPZNERUURNMBGT-QZTJIDSGSA-N 1 0 352.478 3.996 50 0 FHAARO COCCn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091325943 571239032 /nfs/dbraw/zinc/23/90/32/571239032.db2.gz SOPYWIGZSDCEIY-INIZCTEOSA-N 1 0 367.415 3.928 50 0 FHAARO C[C@H](C1CCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)CC1)[NH+](C)C ZINC000091441501 571239623 /nfs/dbraw/zinc/23/96/23/571239623.db2.gz ASXBGJXOIKIAOQ-OAHLLOKOSA-N 1 0 363.933 3.743 50 0 FHAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C2 ZINC000091468785 571239879 /nfs/dbraw/zinc/23/98/79/571239879.db2.gz JCFMBHMTCVPELU-UONOGXRCSA-N 1 0 358.379 3.677 50 0 FHAARO O=C1CCC2(CC[NH+](Cc3ccsc3)CC2)CN1Cc1ccncc1 ZINC000091551662 571240476 /nfs/dbraw/zinc/24/04/76/571240476.db2.gz JRNMQTBGZOHKPC-UHFFFAOYSA-N 1 0 355.507 3.548 50 0 FHAARO COc1ccccc1-c1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)cc1 ZINC000091625800 571241660 /nfs/dbraw/zinc/24/16/60/571241660.db2.gz RTKUVECWUUDXPP-QFBILLFUSA-N 1 0 350.462 3.528 50 0 FHAARO Cc1c(Cl)ccc2c(C(=O)N[C@@H]3CC[NH2+]C3)cc(-c3ccco3)nc12 ZINC000091693811 571242538 /nfs/dbraw/zinc/24/25/38/571242538.db2.gz QEXGHIBTIXGESP-GFCCVEGCSA-N 1 0 355.825 3.548 50 0 FHAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCc1ccccc1OC(F)(F)F ZINC000091745231 571243102 /nfs/dbraw/zinc/24/31/02/571243102.db2.gz KYUIMDMDZVCTPS-HNNXBMFYSA-N 1 0 358.404 3.508 50 0 FHAARO CC(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3ccco3)c2)C[C@H]1c1ccc(C)o1 ZINC000091737778 571243224 /nfs/dbraw/zinc/24/32/24/571243224.db2.gz CJQDMHXIUHBMHJ-WOJBJXKFSA-N 1 0 364.445 3.952 50 0 FHAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000169680660 571247072 /nfs/dbraw/zinc/24/70/72/571247072.db2.gz UOVDWAMJYCHVQU-KXBFYZLASA-N 1 0 372.900 3.724 50 0 FHAARO O=C(CCCOc1cccc2ccccc21)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065591685 571265178 /nfs/dbraw/zinc/26/51/78/571265178.db2.gz HJGUBHSFDGKZNR-LJQANCHMSA-N 1 0 352.478 3.696 50 0 FHAARO CC(C)[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc2ccccc2o1 ZINC000170591732 571266051 /nfs/dbraw/zinc/26/60/51/571266051.db2.gz XQXVLTLYUAFKIO-HXUWFJFHSA-N 1 0 372.490 3.698 50 0 FHAARO C[N@H+](CCC(=O)NCc1cccc(Br)c1)C1CCCCC1 ZINC000170597832 571266681 /nfs/dbraw/zinc/26/66/81/571266681.db2.gz IXNIFSQQWNAEPE-UHFFFAOYSA-N 1 0 353.304 3.720 50 0 FHAARO Cc1ccccc1OCC[N@@H+](C)CCC(=O)Nc1ccnn1C1CCCC1 ZINC000014079530 571271674 /nfs/dbraw/zinc/27/16/74/571271674.db2.gz ANKJHXPQZUBJTN-UHFFFAOYSA-N 1 0 370.497 3.646 50 0 FHAARO O=C(c1ccc(Oc2cccnc2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000076041947 571273816 /nfs/dbraw/zinc/27/38/16/571273816.db2.gz NAMXGOAMHCLEHU-GOSISDBHSA-N 1 0 365.477 3.822 50 0 FHAARO CC[NH+](CC)CCCNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000017287556 571275693 /nfs/dbraw/zinc/27/56/93/571275693.db2.gz ZOKDGLPZEFNJLL-UHFFFAOYSA-N 1 0 372.904 3.921 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1cccc(OC)c1)c1ccccc1 ZINC000014903564 571278584 /nfs/dbraw/zinc/27/85/84/571278584.db2.gz BBZHDGLPULHQLI-IBUXMESJSA-N 1 0 352.478 3.908 50 0 FHAARO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000252500088 571281276 /nfs/dbraw/zinc/28/12/76/571281276.db2.gz SMZPVVZAKAOJGV-MRXNPFEDSA-N 1 0 369.513 3.738 50 0 FHAARO CS[C@H]1CN(Cc2cc(F)ccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000252511264 571281717 /nfs/dbraw/zinc/28/17/17/571281717.db2.gz FOYRNYWBYRZHIU-CVEARBPZSA-N 1 0 373.335 3.600 50 0 FHAARO CN1N=C2/C(=C\c3ccc(F)cc3)C[N@@H+](C)C[C@H]2[C@H]1c1ccc(F)cc1 ZINC000252609269 571285052 /nfs/dbraw/zinc/28/50/52/571285052.db2.gz HQRADAGJSNDTOS-LWZJZKOWSA-N 1 0 353.416 3.953 50 0 FHAARO Cc1ccccc1Oc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000037623889 571289161 /nfs/dbraw/zinc/28/91/61/571289161.db2.gz QZAMQOGFXGOMOV-UHFFFAOYSA-N 1 0 360.461 3.900 50 0 FHAARO COc1ccc2[nH]c(C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(C)c2c1 ZINC000253413557 571312491 /nfs/dbraw/zinc/31/24/91/571312491.db2.gz VCKSGUBHYBXYPS-OXJNMPFZSA-N 1 0 369.509 3.821 50 0 FHAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCCC2)C1)N(Cc1cccc(O)c1)C1CC1 ZINC000584887366 571314010 /nfs/dbraw/zinc/31/40/10/571314010.db2.gz ASXJBXLUQUZZED-SFHVURJKSA-N 1 0 371.525 3.721 50 0 FHAARO C[C@@H](c1cccs1)N(C)C(=O)NC1CC[NH+](C2CCSCC2)CC1 ZINC000584892772 571314801 /nfs/dbraw/zinc/31/48/01/571314801.db2.gz UBZLKDQALYQBCV-AWEZNQCLSA-N 1 0 367.584 3.811 50 0 FHAARO CN(C(=O)c1ccc(-c2cn(C)nc2-c2ccccc2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000584895260 571315232 /nfs/dbraw/zinc/31/52/32/571315232.db2.gz GECKVMAGTDQVCC-HXUWFJFHSA-N 1 0 374.488 3.530 50 0 FHAARO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000027570378 571317753 /nfs/dbraw/zinc/31/77/53/571317753.db2.gz HNEHWWHRIBAYFK-ZWKOTPCHSA-N 1 0 365.477 3.673 50 0 FHAARO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)s1 ZINC000055061016 571318620 /nfs/dbraw/zinc/31/86/20/571318620.db2.gz JTECSAOVHCGNNT-CYBMUJFWSA-N 1 0 352.454 3.564 50 0 FHAARO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000479454417 571322300 /nfs/dbraw/zinc/32/23/00/571322300.db2.gz OITSOSMFQKIRQD-FQEVSTJZSA-N 1 0 363.509 3.898 50 0 FHAARO C[C@@H](NC(=O)Nc1ccc2c(c1)COC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376823526 571322674 /nfs/dbraw/zinc/32/26/74/571322674.db2.gz PLZXBKPWLRYIOO-AEFFLSMTSA-N 1 0 365.477 3.749 50 0 FHAARO O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000013011472 571322990 /nfs/dbraw/zinc/32/29/90/571322990.db2.gz CFBIRPMDVROAEV-KRWDZBQOSA-N 1 0 364.898 3.734 50 0 FHAARO O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000013011469 571323012 /nfs/dbraw/zinc/32/30/12/571323012.db2.gz CFBIRPMDVROAEV-QGZVFWFLSA-N 1 0 364.898 3.734 50 0 FHAARO Cc1c(O)ccc2c(C[N@H+](C)CCOc3ccc(Cl)cc3)cc(=O)oc12 ZINC000013056689 571323048 /nfs/dbraw/zinc/32/30/48/571323048.db2.gz RUFHIKOPHDMIEP-UHFFFAOYSA-N 1 0 373.836 3.971 50 0 FHAARO CC1=CC[N@H+](CCNC(=O)c2ccc(SCc3cccnc3)cc2)CC1 ZINC000328591437 571323565 /nfs/dbraw/zinc/32/35/65/571323565.db2.gz VDRQMMWXQSZFAQ-UHFFFAOYSA-N 1 0 367.518 3.756 50 0 FHAARO COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](C(C)(C)C)CC2)c1 ZINC000078759374 571325906 /nfs/dbraw/zinc/32/59/06/571325906.db2.gz ICLQQLFOFXSMKR-INIZCTEOSA-N 1 0 353.528 3.617 50 0 FHAARO CC(C)Oc1ccc([C@@H](O)C[NH2+]Cc2cn(C)nc2-c2cccs2)cc1 ZINC000093965579 571327391 /nfs/dbraw/zinc/32/73/91/571327391.db2.gz UHUCXGVFPUAPQI-SFHVURJKSA-N 1 0 371.506 3.759 50 0 FHAARO O=C(NCc1ccccc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000390828183 571328276 /nfs/dbraw/zinc/32/82/76/571328276.db2.gz PHPWGEMSZMRUSS-LRSLUSHPSA-N 1 0 365.521 3.791 50 0 FHAARO Clc1ccc(-c2noc3ncnc(NCCC[NH+]4CCCC4)c32)cc1 ZINC000020329938 571328722 /nfs/dbraw/zinc/32/87/22/571328722.db2.gz PPELNDHMAFTTGO-UHFFFAOYSA-N 1 0 357.845 3.836 50 0 FHAARO COc1ccc(CCN(C)[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1OC ZINC000020321379 571328741 /nfs/dbraw/zinc/32/87/41/571328741.db2.gz FDJBDFLUUCRJCO-FQEVSTJZSA-N 1 0 360.542 3.975 50 0 FHAARO CCC[C@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756569 571331670 /nfs/dbraw/zinc/33/16/70/571331670.db2.gz MCPXRMSANKDTNK-GOTSBHOMSA-N 1 0 369.505 3.799 50 0 FHAARO COC[C@H](C)[NH2+][C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000021820022 571336024 /nfs/dbraw/zinc/33/60/24/571336024.db2.gz GNJNNUYVSNVKER-UGSOOPFHSA-N 1 0 362.857 3.653 50 0 FHAARO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCC[NH+]3CCCCC3)c2c1 ZINC000021934414 571336221 /nfs/dbraw/zinc/33/62/21/571336221.db2.gz HPIPNMWBSOMDRN-UHFFFAOYSA-N 1 0 374.488 3.821 50 0 FHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)noc1-c1ccc(OC)cc1 ZINC000022348615 571336646 /nfs/dbraw/zinc/33/66/46/571336646.db2.gz SKEABRGZOZTFIT-OAHLLOKOSA-N 1 0 373.497 3.899 50 0 FHAARO O=C(c1ccc(-n2cccc2)cc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225686429 571337852 /nfs/dbraw/zinc/33/78/52/571337852.db2.gz BMHNMPJCQOWJBC-HSZRJFAPSA-N 1 0 371.484 3.750 50 0 FHAARO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000028240683 571338753 /nfs/dbraw/zinc/33/87/53/571338753.db2.gz CQCLZDAMYACAEG-OAQYLSRUSA-N 1 0 360.461 3.784 50 0 FHAARO CCn1c2c(c(S[C@H]([NH3+])c3cccc4ccccc43)nc1=O)CCC2 ZINC000028290101 571338964 /nfs/dbraw/zinc/33/89/64/571338964.db2.gz SJOMZVVZLPHMBX-SFHVURJKSA-N 1 0 351.475 3.655 50 0 FHAARO C[C@H](OC[C@@H](O)C[N@H+](C)CCOc1ccccc1)c1ccc(Cl)cc1 ZINC000002639428 571339798 /nfs/dbraw/zinc/33/97/98/571339798.db2.gz OCSMUQVEZDDREZ-LPHOPBHVSA-N 1 0 363.885 3.789 50 0 FHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000056769060 571341539 /nfs/dbraw/zinc/34/15/39/571341539.db2.gz LOOCGFRNDNSXMJ-QGZVFWFLSA-N 1 0 369.509 3.664 50 0 FHAARO CC1CC[NH+](CCCNC(=O)N[C@@H]2CCOc3c(Cl)cccc32)CC1 ZINC000056804937 571341746 /nfs/dbraw/zinc/34/17/46/571341746.db2.gz BBPYNGJZDOUVCO-QGZVFWFLSA-N 1 0 365.905 3.585 50 0 FHAARO CCOc1ccccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccncc1 ZINC000003050162 571344204 /nfs/dbraw/zinc/34/42/04/571344204.db2.gz OFTUKLSIMWSPBR-INIZCTEOSA-N 1 0 372.538 3.802 50 0 FHAARO O[C@H](Cn1c2ccccc2c2c1CCCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000003181549 571345257 /nfs/dbraw/zinc/34/52/57/571345257.db2.gz BXUIDPQAETUCEV-FQEVSTJZSA-N 1 0 360.501 3.939 50 0 FHAARO CCc1nc(C)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)o1 ZINC000670438639 571347938 /nfs/dbraw/zinc/34/79/38/571347938.db2.gz OPMJNAOGZQITOW-GOSISDBHSA-N 1 0 355.482 3.893 50 0 FHAARO Cc1ccc(S[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000058104415 571348226 /nfs/dbraw/zinc/34/82/26/571348226.db2.gz LTALLIVKUAQZTM-PKOBYXMFSA-N 1 0 354.519 3.866 50 0 FHAARO CCOc1ccc(-c2csc3ncn(CC[C@@H]4CCC[NH2+]4)c(=O)c23)cc1 ZINC000670460783 571356849 /nfs/dbraw/zinc/35/68/49/571356849.db2.gz CAECORLGKWQMKJ-HNNXBMFYSA-N 1 0 369.490 3.666 50 0 FHAARO CCOC(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)cc1 ZINC000008126642 571359163 /nfs/dbraw/zinc/35/91/63/571359163.db2.gz USPTYKLEKHYEKA-FQEVSTJZSA-N 1 0 366.461 3.811 50 0 FHAARO Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000334161240 931635230 /nfs/dbraw/zinc/63/52/30/931635230.db2.gz XAZGECPBGQZRLB-GASCZTMLSA-N 1 0 352.478 3.963 50 0 FHAARO COC(=O)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000022780624 934518874 /nfs/dbraw/zinc/51/88/74/934518874.db2.gz BSQDIEQUJSKTTJ-NZSAHSFTSA-N 1 0 351.874 3.571 50 0 FHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3ccsc3)C2)cc1OC ZINC000022913293 935477290 /nfs/dbraw/zinc/47/72/90/935477290.db2.gz KBMCMHIKTBONTO-IBGZPJMESA-N 1 0 374.550 3.904 50 0 FHAARO c1ccc(-c2noc(CN3CCC[C@H]([N@@H+]4CCc5ccccc5C4)C3)n2)cc1 ZINC000022919844 935579694 /nfs/dbraw/zinc/57/96/94/935579694.db2.gz AIROUBBFRPFHTK-NRFANRHFSA-N 1 0 374.488 3.759 50 0 FHAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cccc(N2CCOC2=O)c1 ZINC000161881117 938404935 /nfs/dbraw/zinc/40/49/35/938404935.db2.gz LCQLRYFRBJAWCZ-HNNXBMFYSA-N 1 0 368.433 3.655 50 0 FHAARO C[C@@H](CNC(=O)c1cc(F)cc2cccnc21)N1CCc2sccc2C1 ZINC000179313820 939080027 /nfs/dbraw/zinc/08/00/27/939080027.db2.gz APVJDCYEUKTLQU-ZDUSSCGKSA-N 1 0 369.465 3.612 50 0 FHAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH2+]CCN2CCCC2)o1 ZINC000023373331 940291122 /nfs/dbraw/zinc/29/11/22/940291122.db2.gz YQFDQBGCKYHJTK-UHFFFAOYSA-N 1 0 368.456 3.765 50 0 FHAARO CC(C)(C)C[N@@H+]1CCN(C/C(Cl)=C/c2ccccc2)C[C@@H]1CCO ZINC000023374903 940296847 /nfs/dbraw/zinc/29/68/47/940296847.db2.gz GLZZXPVHBCSTGV-LJLZWOEMSA-N 1 0 350.934 3.681 50 0 FHAARO Cc1ccc([C@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)C2)c(C)c1 ZINC000333288852 945319205 /nfs/dbraw/zinc/31/92/05/945319205.db2.gz IZEAIADORFZKPZ-FUHWJXTLSA-N 1 0 364.493 3.536 50 0 FHAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)COc2ccc(F)cc2)CC1 ZINC000581788013 940599384 /nfs/dbraw/zinc/59/93/84/940599384.db2.gz OHCPJMROHDTYES-IBGZPJMESA-N 1 0 362.489 3.708 50 0 FHAARO Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000581807746 940608566 /nfs/dbraw/zinc/60/85/66/940608566.db2.gz MVRNFVNUMUKXFK-IBGZPJMESA-N 1 0 359.514 3.829 50 0 FHAARO COc1cccc(CC(=O)N2CCC[C@H](Cn3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000581806963 940614053 /nfs/dbraw/zinc/61/40/53/940614053.db2.gz FUHNECVUSQOBAM-SFHVURJKSA-N 1 0 367.493 3.559 50 0 FHAARO c1cc2c(ncnc2-c2cccc(-c3ccn(C[C@@H]4CC[NH2+]C4)n3)c2)s1 ZINC000020877869 941907582 /nfs/dbraw/zinc/90/75/82/941907582.db2.gz FFOLNULGTIPMSS-CQSZACIVSA-N 1 0 361.474 3.831 50 0 FHAARO Fc1cnccc1C[N@@H+]1CCC[C@@H](CCc2nc(-c3cccnc3)no2)C1 ZINC000257174889 942454242 /nfs/dbraw/zinc/45/42/42/942454242.db2.gz LRNDTLPPWJMEQN-HNNXBMFYSA-N 1 0 367.428 3.511 50 0 FHAARO Cc1ccc(C(=O)N2CCC3(CC2)[NH2+]CCc2c4ccccc4[nH]c23)s1 ZINC000257178574 942525737 /nfs/dbraw/zinc/52/57/37/942525737.db2.gz BXAXQORPROGMPM-UHFFFAOYSA-N 1 0 365.502 3.815 50 0 FHAARO c1cc(CCN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc2c1OCC2 ZINC000329392010 943176755 /nfs/dbraw/zinc/17/67/55/943176755.db2.gz VPXFIINNWPIBGW-IEBWSBKVSA-N 1 0 369.465 3.626 50 0 FHAARO CCN1CCCn2nc([C@H]3CCC[N@H+](CC4CCCCC4)C3)cc2C1=O ZINC000675010301 943604104 /nfs/dbraw/zinc/60/41/04/943604104.db2.gz NWNHAGLTBHWAFR-SFHVURJKSA-N 1 0 358.530 3.509 50 0 FHAARO Cc1cccc(NC(=O)N(CC[NH+]2CCCCC2)C2CCOCC2)c1C ZINC000675019320 943627370 /nfs/dbraw/zinc/62/73/70/943627370.db2.gz DKTRKFVFVZZVFV-UHFFFAOYSA-N 1 0 359.514 3.802 50 0 FHAARO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)CC2)oc1C ZINC000162785496 944876482 /nfs/dbraw/zinc/87/64/82/944876482.db2.gz MTXNYANHADCFNM-HNNXBMFYSA-N 1 0 371.481 3.583 50 0 FHAARO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccccc2OCCc2ccccc2)C1 ZINC000252497036 209933250 /nfs/dbraw/zinc/93/32/50/209933250.db2.gz PXSUVTCPJNENOK-IBGZPJMESA-N 1 0 352.478 3.509 50 0 FHAARO C[C@H](Nc1cc(-c2ccccc2)nc2ncnn21)[C@H](c1ccccc1)[NH+](C)C ZINC000225532752 209817872 /nfs/dbraw/zinc/81/78/72/209817872.db2.gz KGYJGBFJDVIJMA-HRAATJIYSA-N 1 0 372.476 3.895 50 0 FHAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)c1 ZINC000006008999 209448718 /nfs/dbraw/zinc/44/87/18/209448718.db2.gz GJCVAFLZCCMJTM-SFHVURJKSA-N 1 0 363.542 3.872 50 0 FHAARO CC(C)(C)c1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000802668 209377039 /nfs/dbraw/zinc/37/70/39/209377039.db2.gz LJSVVYLZNGSONR-UHFFFAOYSA-N 1 0 352.544 3.572 50 0 FHAARO OC1(C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CCOCC1 ZINC000238146161 209360235 /nfs/dbraw/zinc/36/02/35/209360235.db2.gz HJRVGMFSHOXFAT-UHFFFAOYSA-N 1 0 361.869 3.550 50 0 FHAARO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC([NH2+]C(C)C)CC3)c2)n1 ZINC000121041340 209354952 /nfs/dbraw/zinc/35/49/52/209354952.db2.gz OKDHBTADPWVEQY-UHFFFAOYSA-N 1 0 356.470 3.953 50 0 FHAARO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000237513552 209349942 /nfs/dbraw/zinc/34/99/42/209349942.db2.gz NWXHUSGWNJOJII-GOEBONIOSA-N 1 0 357.523 3.935 50 0 FHAARO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237378061 209347142 /nfs/dbraw/zinc/34/71/42/209347142.db2.gz NWXHUSGWNJOJII-ZBFHGGJFSA-N 1 0 357.523 3.935 50 0 FHAARO O=C(CCn1ccc2ccc(F)cc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000043746945 209310891 /nfs/dbraw/zinc/31/08/91/209310891.db2.gz LOCALLAVIUZBAU-HKUYNNGSSA-N 1 0 357.473 3.551 50 0 FHAARO COCc1ccccc1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000108150379 209283777 /nfs/dbraw/zinc/28/37/77/209283777.db2.gz KRUPRHSWUHGQLY-ROUUACIJSA-N 1 0 367.493 3.960 50 0 FHAARO CCOc1ccccc1NC(=O)CN1CC=C(c2ccc(O)cc2)CC1 ZINC000105363561 209266062 /nfs/dbraw/zinc/26/60/62/209266062.db2.gz GZPZVXJNVFAUAV-UHFFFAOYSA-N 1 0 352.434 3.519 50 0 FHAARO CC[C@H](C)C(=O)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104320282 209261515 /nfs/dbraw/zinc/26/15/15/209261515.db2.gz TWNPTKFYBPJEQQ-LAUBAEHRSA-N 1 0 352.478 3.785 50 0 FHAARO Cc1cc(C)nc(NC=C2N=C(c3ccccc3Br)OC2=O)c1 ZINC000100530659 209214257 /nfs/dbraw/zinc/21/42/57/209214257.db2.gz HWEHAMKILBGDOY-ZROIWOOFSA-N 1 0 372.222 3.718 50 0 FHAARO O=C(CN1c2ccccc2N2CCCN=C12)c1ccc(Br)cc1 ZINC000100552692 209214306 /nfs/dbraw/zinc/21/43/06/209214306.db2.gz XKUJDHBDHCQMJI-UHFFFAOYSA-N 1 0 370.250 3.718 50 0 FHAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNc2nccc(-c3ccccn3)n2)C1 ZINC000097797485 209197506 /nfs/dbraw/zinc/19/75/06/209197506.db2.gz DWJGUKBHJGRGER-GOSISDBHSA-N 1 0 359.477 3.781 50 0 FHAARO COc1ccc2cc(C(=O)NC[C@@H](c3sccc3C)[NH+](C)C)n(C)c2c1 ZINC000097732974 209195173 /nfs/dbraw/zinc/19/51/73/209195173.db2.gz PDHUPRRQLXZBAE-SFHVURJKSA-N 1 0 371.506 3.590 50 0 FHAARO c1[nH]nc(-c2ccccc2)c1CN1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000097653931 209190644 /nfs/dbraw/zinc/19/06/44/209190644.db2.gz YFQRFOGCBAYQDS-HSZRJFAPSA-N 1 0 372.516 3.752 50 0 FHAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)c1 ZINC000097618928 209188363 /nfs/dbraw/zinc/18/83/63/209188363.db2.gz WVXSZZYTYNLOQM-IBGZPJMESA-N 1 0 352.438 3.823 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCC([C@H](O)c2cccs2)CC1 ZINC000097546590 209185460 /nfs/dbraw/zinc/18/54/60/209185460.db2.gz ZRILWGSCCJVVRF-IBGZPJMESA-N 1 0 374.506 3.523 50 0 FHAARO O=C(C[C@H]1CCc2ccccc21)NC1CC[NH+](C2CCSCC2)CC1 ZINC000097528026 209184185 /nfs/dbraw/zinc/18/41/85/209184185.db2.gz PTHZAHGGQUFAPJ-QGZVFWFLSA-N 1 0 358.551 3.583 50 0 FHAARO COc1cc(OCc2ccccc2)ccc1C[NH+]1CCC([C@@H](C)O)CC1 ZINC000097475115 209183118 /nfs/dbraw/zinc/18/31/18/209183118.db2.gz OVAFLSNXGMYXAH-QGZVFWFLSA-N 1 0 355.478 3.867 50 0 FHAARO Cc1cncnc1C1CC[NH+](C[C@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000097463722 209180995 /nfs/dbraw/zinc/18/09/95/209180995.db2.gz YEWCZYDYTSFOPR-OAHLLOKOSA-N 1 0 353.466 3.572 50 0 FHAARO C[C@@H]1C[C@H](Nc2ccc(-c3ncn(C)n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000097371265 209179995 /nfs/dbraw/zinc/17/99/95/209179995.db2.gz TXSSJMGUOVZIRN-DYESRHJHSA-N 1 0 361.493 3.947 50 0 FHAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000097164672 209173321 /nfs/dbraw/zinc/17/33/21/209173321.db2.gz XZTFQISCVOMVPG-SFHVURJKSA-N 1 0 356.470 3.954 50 0 FHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc2cc(F)ccc2[nH]1 ZINC000013007243 220052578 /nfs/dbraw/zinc/05/25/78/220052578.db2.gz WJSQCXGIPUJUBB-HXUWFJFHSA-N 1 0 351.425 3.874 50 0 FHAARO Cc1oc(-c2ccccc2)nc1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000013010380 220053208 /nfs/dbraw/zinc/05/32/08/220053208.db2.gz YHOWJZJLVCMNKW-UHFFFAOYSA-N 1 0 369.509 3.963 50 0 FHAARO c1c2ccccc2oc1-c1nnc2sc(CC[NH+]3CCCCC3)nn21 ZINC000096194081 209131365 /nfs/dbraw/zinc/13/13/65/209131365.db2.gz QTQSJAWWIHAHGQ-UHFFFAOYSA-N 1 0 353.451 3.627 50 0 FHAARO c1ccc(C2(c3nc([C@@H]4C[NH2+]CCO4)n(CC4CCCCC4)n3)CC2)cc1 ZINC000096163601 209129205 /nfs/dbraw/zinc/12/92/05/209129205.db2.gz ZCUMJMWTNMUJMV-IBGZPJMESA-N 1 0 366.509 3.599 50 0 FHAARO Cc1ccccc1-c1cccc(NC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000096153704 209126168 /nfs/dbraw/zinc/12/61/68/209126168.db2.gz LGJCEYPQIPJFOS-QFIPXVFZSA-N 1 0 367.493 3.582 50 0 FHAARO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cccnc3Oc3ccc(F)cc3)C2)C1 ZINC000096152047 209124974 /nfs/dbraw/zinc/12/49/74/209124974.db2.gz NOJUZTQHYWILRB-HXUWFJFHSA-N 1 0 370.428 3.573 50 0 FHAARO Cc1nc2ccc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2nc1C ZINC000096139054 209121124 /nfs/dbraw/zinc/12/11/24/209121124.db2.gz FOJFXAOLZYVMIK-QGZVFWFLSA-N 1 0 369.494 3.733 50 0 FHAARO Cc1nn(C)c2nc(N[C@H]3CCC[N@H+](Cc4ccccc4F)C3)sc12 ZINC000096136810 209119564 /nfs/dbraw/zinc/11/95/64/209119564.db2.gz YRVLQMOOFZLCCJ-AWEZNQCLSA-N 1 0 359.474 3.554 50 0 FHAARO Cc1ccc(C[NH+]2CCC(CNc3nc4c(s3)c(C)nn4C)CC2)o1 ZINC000096130269 209115833 /nfs/dbraw/zinc/11/58/33/209115833.db2.gz YVNLMTVWLHPKMA-UHFFFAOYSA-N 1 0 359.499 3.564 50 0 FHAARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc(COc3ccccc3)cc1)C2 ZINC000299766475 206637485 /nfs/dbraw/zinc/63/74/85/206637485.db2.gz JDYPNCDCHGMXDL-XVAYZXCPSA-N 1 0 364.489 3.678 50 0 FHAARO CC1(C)C[C@](c2ccccc2)([C@@H](CO)C[NH2+]Cc2ccccc2)CCO1 ZINC000000755050 206829198 /nfs/dbraw/zinc/82/91/98/206829198.db2.gz VYAMDNWUSLNDGW-FYYLOGMGSA-N 1 0 353.506 3.912 50 0 FHAARO Cc1ccc2c(c1)c1c3n2CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]3CCC1 ZINC000001422579 206881747 /nfs/dbraw/zinc/88/17/47/206881747.db2.gz GACWYYVKEWQYPY-NRFANRHFSA-N 1 0 365.521 3.901 50 0 FHAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000004278789 207011137 /nfs/dbraw/zinc/01/11/37/207011137.db2.gz ZJDRRKNLMXXMKO-IBGZPJMESA-N 1 0 353.466 3.998 50 0 FHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)c(OC)c2)N3)C1 ZINC000004555611 207027603 /nfs/dbraw/zinc/02/76/03/207027603.db2.gz GWZQJWDMZOPWFO-KRWDZBQOSA-N 1 0 373.478 3.572 50 0 FHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)cc2OC)N3)C1 ZINC000004556124 207028349 /nfs/dbraw/zinc/02/83/49/207028349.db2.gz RMTAUJSDTJNFSB-QGZVFWFLSA-N 1 0 373.478 3.572 50 0 FHAARO Cc1ccc2c(c1)c1c3n2CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]3CCC1 ZINC000004623426 207032146 /nfs/dbraw/zinc/03/21/46/207032146.db2.gz GACWYYVKEWQYPY-OAQYLSRUSA-N 1 0 365.521 3.901 50 0 FHAARO COc1cc(CNc2[nH+]cc(-c3ccccc3)n2C)cc(OC)c1OC ZINC000004678345 207037413 /nfs/dbraw/zinc/03/74/13/207037413.db2.gz QFYXJCFVPZBJPJ-UHFFFAOYSA-N 1 0 353.422 3.725 50 0 FHAARO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCc2ccccc2C1 ZINC000004725561 207041272 /nfs/dbraw/zinc/04/12/72/207041272.db2.gz VHFQUCCZCUDUPW-UHFFFAOYSA-N 1 0 352.453 3.623 50 0 FHAARO O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCc2ccccc2C1 ZINC000004746196 207044142 /nfs/dbraw/zinc/04/41/42/207044142.db2.gz ZZXDFSHHBHAVRL-HXUWFJFHSA-N 1 0 352.453 3.623 50 0 FHAARO Cc1cc(O[C@@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Cl ZINC000004842730 207054857 /nfs/dbraw/zinc/05/48/57/207054857.db2.gz CTXXZRBMAIODCQ-ZDUSSCGKSA-N 1 0 352.906 3.841 50 0 FHAARO CCOc1cc(C[N@H+](C)CCc2ccc(OC)c(OC)c2)ccc1OC ZINC000004948927 207065453 /nfs/dbraw/zinc/06/54/53/207065453.db2.gz XYYJPVSTFSPXRC-UHFFFAOYSA-N 1 0 359.466 3.786 50 0 FHAARO COCCC[NH2+]CCOCCOc1c(Cl)cc(Cl)cc1Cl ZINC000005042602 207075137 /nfs/dbraw/zinc/07/51/37/207075137.db2.gz HMVOQVLYLOXCDW-UHFFFAOYSA-N 1 0 356.677 3.668 50 0 FHAARO COc1cccc2[nH]c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000005322935 207092422 /nfs/dbraw/zinc/09/24/22/207092422.db2.gz WINRVIUVJLSMHA-UHFFFAOYSA-N 1 0 363.461 3.571 50 0 FHAARO CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000005525136 207103331 /nfs/dbraw/zinc/10/33/31/207103331.db2.gz UDJCJDFCXCKPIX-PZJWPPBQSA-N 1 0 350.462 3.842 50 0 FHAARO CC(=O)Nc1ccc(C(=S)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000005937722 207123551 /nfs/dbraw/zinc/12/35/51/207123551.db2.gz JMMPYPHICOGGOD-SFHVURJKSA-N 1 0 371.506 3.730 50 0 FHAARO CC(C)C[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000006045870 207126909 /nfs/dbraw/zinc/12/69/09/207126909.db2.gz HCFACJOZXLBUAP-QGZVFWFLSA-N 1 0 359.857 3.856 50 0 FHAARO O[C@H](C[NH2+]C[C@H]1CC1(Cl)Cl)COc1ccc(-c2ccccc2)cc1 ZINC000006085913 207129304 /nfs/dbraw/zinc/12/93/04/207129304.db2.gz AJPQLHOKRRLUMH-IAGOWNOFSA-N 1 0 366.288 3.877 50 0 FHAARO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1cccnc1 ZINC000006715931 207155692 /nfs/dbraw/zinc/15/56/92/207155692.db2.gz MPMIFGOVOYRXFN-MRXNPFEDSA-N 1 0 362.857 3.591 50 0 FHAARO O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCC[NH+]1CCCCCC1 ZINC000006809341 207168365 /nfs/dbraw/zinc/16/83/65/207168365.db2.gz LEPAONKPLLFTDA-UHFFFAOYSA-N 1 0 358.873 3.797 50 0 FHAARO COc1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1C ZINC000007448909 207197036 /nfs/dbraw/zinc/19/70/36/207197036.db2.gz VQICBIRSCOITJW-UHFFFAOYSA-N 1 0 352.478 3.920 50 0 FHAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccccc1C ZINC000007844986 207208318 /nfs/dbraw/zinc/20/83/18/207208318.db2.gz YXWGMDPCNNMHMF-UHFFFAOYSA-N 1 0 362.477 3.868 50 0 FHAARO [NH2+]=c1sc(SCC(=O)Nc2c(F)cccc2F)nc2ccccc21 ZINC000007652809 207201203 /nfs/dbraw/zinc/20/12/03/207201203.db2.gz UGNFZKKJBWVKDB-UHFFFAOYSA-N 1 0 363.414 3.785 50 0 FHAARO COc1ccc(CC[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C)cc1OC ZINC000008328589 207229752 /nfs/dbraw/zinc/22/97/52/207229752.db2.gz XTFKLDHZBUFSPJ-MRXNPFEDSA-N 1 0 356.466 3.514 50 0 FHAARO COc1ccc(CC[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C)cc1OC ZINC000008328590 207229771 /nfs/dbraw/zinc/22/97/71/207229771.db2.gz XTFKLDHZBUFSPJ-INIZCTEOSA-N 1 0 356.466 3.514 50 0 FHAARO CCc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000008394753 207232080 /nfs/dbraw/zinc/23/20/80/207232080.db2.gz HAJLSVZWWIZPKO-CTNGQTDRSA-N 1 0 370.518 3.554 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+]2CCCCC2)cc1 ZINC000008916786 207250940 /nfs/dbraw/zinc/25/09/40/207250940.db2.gz IEJQMOFBHFNVNI-HXUWFJFHSA-N 1 0 356.441 3.791 50 0 FHAARO COc1ccc2cc(/C=C/C(=O)NC3CC[NH+](C(C)C)CC3)ccc2c1 ZINC000008937819 207252030 /nfs/dbraw/zinc/25/20/30/207252030.db2.gz BNMJENHQQKCXMS-WEVVVXLNSA-N 1 0 352.478 3.851 50 0 FHAARO CC[NH+](CC)CCn1cnc2oc(-c3ccco3)c(-c3ccco3)c2c1=N ZINC000008991697 207253787 /nfs/dbraw/zinc/25/37/87/207253787.db2.gz YSIHLHPQRUBKCB-UHFFFAOYSA-N 1 0 366.421 3.971 50 0 FHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1=Cc2cc(Cl)ccc2OC1 ZINC000009054262 207255141 /nfs/dbraw/zinc/25/51/41/207255141.db2.gz OXCNCWMGSDXSLY-QGZVFWFLSA-N 1 0 372.852 3.662 50 0 FHAARO Cc1c(C)n(-c2nc3ccccc3s2)c2ncnc(NCC[NH+](C)C)c12 ZINC000009530979 207276337 /nfs/dbraw/zinc/27/63/37/207276337.db2.gz YKVHVQWMUYIRPT-UHFFFAOYSA-N 1 0 366.494 3.621 50 0 FHAARO COC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010337809 207299174 /nfs/dbraw/zinc/29/91/74/207299174.db2.gz HQAYPQSTMOWBDZ-UHFFFAOYSA-N 1 0 352.434 3.711 50 0 FHAARO CN(C)c1cccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000009931965 207290190 /nfs/dbraw/zinc/29/01/90/207290190.db2.gz TYIPYUDZXMEJHH-UHFFFAOYSA-N 1 0 351.494 3.669 50 0 FHAARO CN(C)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000009931966 207290405 /nfs/dbraw/zinc/29/04/05/207290405.db2.gz AUPSUBXKRODDMW-UHFFFAOYSA-N 1 0 351.494 3.669 50 0 FHAARO CC(C)/C=C/C[NH+]1CCC(Oc2ccccc2C(=O)N2CCCC2)CC1 ZINC000011661236 207317557 /nfs/dbraw/zinc/31/75/57/207317557.db2.gz BPUJGBHKIORKHP-BQYQJAHWSA-N 1 0 356.510 3.978 50 0 FHAARO Fc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1F ZINC000011668083 207318193 /nfs/dbraw/zinc/31/81/93/207318193.db2.gz NXXAYIWCUJDFSC-OAQYLSRUSA-N 1 0 357.448 3.848 50 0 FHAARO Cc1ccoc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011775609 207321319 /nfs/dbraw/zinc/32/13/19/207321319.db2.gz ICMSLGMKYPHVAC-NRFANRHFSA-N 1 0 374.431 3.995 50 0 FHAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)/C=C/C(C)C)CC2)cc1 ZINC000011773118 207321525 /nfs/dbraw/zinc/32/15/25/207321525.db2.gz UFRJKECBEKGPBG-BJMVGYQFSA-N 1 0 358.526 3.620 50 0 FHAARO CC(C)C[N@@H+]1CCOc2ccc([C@](C)(O)COc3ccccc3)cc2C1 ZINC000011782843 207322173 /nfs/dbraw/zinc/32/21/73/207322173.db2.gz AZIFVSPAFDQGEW-JOCHJYFZSA-N 1 0 355.478 3.824 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)c(OC)c1OC ZINC000011662993 207316663 /nfs/dbraw/zinc/31/66/63/207316663.db2.gz JZKBOMZCOAZWCS-SFHVURJKSA-N 1 0 374.456 3.928 50 0 FHAARO O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1Cc1ccc(F)cc1F ZINC000011910147 207329946 /nfs/dbraw/zinc/32/99/46/207329946.db2.gz ZGIKBMPCFJPVBJ-GOSISDBHSA-N 1 0 362.395 3.775 50 0 FHAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](CCC(=O)N2CCCC2)C1 ZINC000011934143 207330197 /nfs/dbraw/zinc/33/01/97/207330197.db2.gz ZVBOPIITDNBYAB-VQFGERMISA-N 1 0 356.510 3.823 50 0 FHAARO Cc1cc(NCc2cccnc2Oc2ccc(C)c(F)c2F)nc(N)[nH+]1 ZINC000011938029 207331042 /nfs/dbraw/zinc/33/10/42/207331042.db2.gz FEMHHCRMMYJFOT-UHFFFAOYSA-N 1 0 357.364 3.753 50 0 FHAARO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000011936998 207331934 /nfs/dbraw/zinc/33/19/34/207331934.db2.gz GXOZLIWSAHCFHH-JOCHJYFZSA-N 1 0 352.478 3.860 50 0 FHAARO COc1ccc2c(c1)C[C@@H]([NH+]1CCC(CCC(=O)N3CCCC3)CC1)CC2 ZINC000011954772 207332178 /nfs/dbraw/zinc/33/21/78/207332178.db2.gz OAUHUADEXDAHJN-NRFANRHFSA-N 1 0 370.537 3.667 50 0 FHAARO O=C(CCC(=O)c1ccccc1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000011879080 207326787 /nfs/dbraw/zinc/32/67/87/207326787.db2.gz SVQAKUBBLTVRKM-IBGZPJMESA-N 1 0 356.510 3.953 50 0 FHAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)CCC2(C)CC2)CC1 ZINC000011874085 207327377 /nfs/dbraw/zinc/32/73/77/207327377.db2.gz SDSJBVCSOATTJX-UHFFFAOYSA-N 1 0 372.553 3.988 50 0 FHAARO CSc1cccc(C[NH+]2CCC(n3nccc3NC(=O)C3CC3)CC2)c1 ZINC000012058708 207335787 /nfs/dbraw/zinc/33/57/87/207335787.db2.gz WQUATQIWDLIJEF-UHFFFAOYSA-N 1 0 370.522 3.791 50 0 FHAARO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@H+](CCCn2cccn2)C1 ZINC000012090012 207337582 /nfs/dbraw/zinc/33/75/82/207337582.db2.gz IVIQWCCPWIZVCA-JOCHJYFZSA-N 1 0 369.509 3.551 50 0 FHAARO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c(OC)c1 ZINC000012094141 207337852 /nfs/dbraw/zinc/33/78/52/207337852.db2.gz AXGRPWAPOGHIQD-GOSISDBHSA-N 1 0 365.473 3.766 50 0 FHAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1CC1CCCCC1 ZINC000012099693 207338377 /nfs/dbraw/zinc/33/83/77/207338377.db2.gz RKWBDEYLMOURQM-IBGZPJMESA-N 1 0 362.489 3.756 50 0 FHAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1CC1CCCCC1 ZINC000012099694 207338805 /nfs/dbraw/zinc/33/88/05/207338805.db2.gz RKWBDEYLMOURQM-LJQANCHMSA-N 1 0 362.489 3.756 50 0 FHAARO CSCCCN1C(=O)CC[C@H]1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000012148803 207343235 /nfs/dbraw/zinc/34/32/35/207343235.db2.gz BGFPFLBAPNYXJB-INIZCTEOSA-N 1 0 374.472 3.929 50 0 FHAARO CSCCC(=O)N(C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012208483 207349072 /nfs/dbraw/zinc/34/90/72/207349072.db2.gz RBBQLBHATNMQRP-UHFFFAOYSA-N 1 0 368.974 3.806 50 0 FHAARO CCCN1CC[C@@H]([N@H+](C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)CCC1=O ZINC000012245053 207351671 /nfs/dbraw/zinc/35/16/71/207351671.db2.gz JSQCTWSVNGVMNS-WMZOPIPTSA-N 1 0 354.498 3.861 50 0 FHAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]C(C)C)C4)cc1 ZINC000012246014 207351985 /nfs/dbraw/zinc/35/19/85/207351985.db2.gz ASLUTYFKXVRPMR-INIZCTEOSA-N 1 0 367.518 3.670 50 0 FHAARO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012327162 207360500 /nfs/dbraw/zinc/36/05/00/207360500.db2.gz GVXYZJRGROXQAZ-ROUUACIJSA-N 1 0 365.477 3.673 50 0 FHAARO O=C(c1ccncc1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012314366 207358373 /nfs/dbraw/zinc/35/83/73/207358373.db2.gz VGWQFLKQLLXART-HSZRJFAPSA-N 1 0 363.505 3.643 50 0 FHAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2cccs2)C1 ZINC000012198774 207348217 /nfs/dbraw/zinc/34/82/17/207348217.db2.gz RAUFSOCEZJUEFP-TZZQJPOUSA-N 1 0 354.519 3.927 50 0 FHAARO CCC[NH+]1CCC(N[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1 ZINC000012385633 207367572 /nfs/dbraw/zinc/36/75/72/207367572.db2.gz GCQKYJWNVKYTQJ-FQEVSTJZSA-N 1 0 374.479 3.992 50 0 FHAARO C[C@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012380633 207368707 /nfs/dbraw/zinc/36/87/07/207368707.db2.gz PABQYRJAJJMUAK-INIZCTEOSA-N 1 0 372.896 3.888 50 0 FHAARO O=C(c1ccccn1)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012454508 207379215 /nfs/dbraw/zinc/37/92/15/207379215.db2.gz XCLMFSQRGRGKGJ-QFIPXVFZSA-N 1 0 355.526 3.980 50 0 FHAARO O=C1N(Cc2ccccc2F)CCC[C@@]12CC[N@H+](CCc1ccccc1)C2 ZINC000012459295 207380206 /nfs/dbraw/zinc/38/02/06/207380206.db2.gz GSDRAPYQHCTHMA-QHCPKHFHSA-N 1 0 366.480 3.883 50 0 FHAARO Cc1ncoc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012465197 207380239 /nfs/dbraw/zinc/38/02/39/207380239.db2.gz BEIGZIPJMCYNCS-QFIPXVFZSA-N 1 0 367.493 3.544 50 0 FHAARO CCn1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012580049 207397021 /nfs/dbraw/zinc/39/70/21/207397021.db2.gz PMVPYKJZYQEOIK-LJQANCHMSA-N 1 0 374.960 3.943 50 0 FHAARO COc1ccc(C(=O)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1OC ZINC000012570754 207397156 /nfs/dbraw/zinc/39/71/56/207397156.db2.gz NNUZPPALMZLMAV-IBGZPJMESA-N 1 0 365.473 3.766 50 0 FHAARO COc1cc(C(=O)NC2CCCCCC2)ccc1OC1CC[NH+](C)CC1 ZINC000012591476 207399370 /nfs/dbraw/zinc/39/93/70/207399370.db2.gz UIUKVNJEWDADCY-UHFFFAOYSA-N 1 0 360.498 3.621 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc3c(C)nn(C)c3s2)cc1 ZINC000012791986 207421762 /nfs/dbraw/zinc/42/17/62/207421762.db2.gz YOHLTMSPUAVZMV-UHFFFAOYSA-N 1 0 370.522 3.715 50 0 FHAARO CC1=C(CC[NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(C(C)C)C2)C(C)(C)CCC1 ZINC000019229444 207651105 /nfs/dbraw/zinc/65/11/05/207651105.db2.gz MJIAUHKNVKLXQB-QUCCMNQESA-N 1 0 363.590 3.869 50 0 FHAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1cccc(-n3nc(C)cc3C)c1)C2 ZINC000020599534 207747907 /nfs/dbraw/zinc/74/79/07/207747907.db2.gz NVVBCGFLTQYGSZ-IBGZPJMESA-N 1 0 363.461 3.591 50 0 FHAARO OCC1CC[NH+]([C@H]2CCCN(Cc3cccc(OC4CCCC4)c3)C2)CC1 ZINC000023372980 207845133 /nfs/dbraw/zinc/84/51/33/207845133.db2.gz QZVPYRVKUVXUFQ-NRFANRHFSA-N 1 0 372.553 3.677 50 0 FHAARO COc1ccc([C@H](C)[NH2+]CCCCN2C(=O)c3ccccc3C2=O)cc1F ZINC000032836289 208046667 /nfs/dbraw/zinc/04/66/67/208046667.db2.gz WOXSUPMLWNDSMX-AWEZNQCLSA-N 1 0 370.424 3.561 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1-n1cccc1 ZINC000032105072 208025424 /nfs/dbraw/zinc/02/54/24/208025424.db2.gz JMIHUZRZJVNBIK-UHFFFAOYSA-N 1 0 359.473 3.872 50 0 FHAARO COc1ccc2cc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)[nH]c2c1 ZINC000032759932 208039469 /nfs/dbraw/zinc/03/94/69/208039469.db2.gz NKZHSXQPTWOUDD-UHFFFAOYSA-N 1 0 363.461 3.702 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc(Br)c1)c1ccsc1 ZINC000032930973 208057776 /nfs/dbraw/zinc/05/77/76/208057776.db2.gz LYDMUWHIZMRHQD-CQSZACIVSA-N 1 0 371.275 3.682 50 0 FHAARO COc1ccc2cc3cc(C(=O)OC4CC[NH+](C)CC4)sc3nc2c1 ZINC000033005402 208065874 /nfs/dbraw/zinc/06/58/74/208065874.db2.gz NDYRCBAYUBJVLM-UHFFFAOYSA-N 1 0 356.447 3.709 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267185 208078945 /nfs/dbraw/zinc/07/89/45/208078945.db2.gz RBXNIWMNBGVNMX-KRWDZBQOSA-N 1 0 374.488 3.901 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267184 208080224 /nfs/dbraw/zinc/08/02/24/208080224.db2.gz RBXNIWMNBGVNMX-QGZVFWFLSA-N 1 0 374.488 3.901 50 0 FHAARO CCc1nn2c(nc(C[N@@H+](Cc3ccc(C)cc3)CC(C)C)cc2=O)s1 ZINC000035509802 208128889 /nfs/dbraw/zinc/12/88/89/208128889.db2.gz CKXOXADQQIUWLP-UHFFFAOYSA-N 1 0 370.522 3.680 50 0 FHAARO COc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)cc1 ZINC000036102119 208145316 /nfs/dbraw/zinc/14/53/16/208145316.db2.gz SBRGBXFVQPYOEL-FQEVSTJZSA-N 1 0 351.446 3.894 50 0 FHAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COCc2ccco2)o1 ZINC000036097658 208146216 /nfs/dbraw/zinc/14/62/16/208146216.db2.gz YHBCEDQIFKNLRL-IBGZPJMESA-N 1 0 355.434 3.761 50 0 FHAARO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2C)CC(C)C)cc1 ZINC000036099830 208147384 /nfs/dbraw/zinc/14/73/84/208147384.db2.gz QHPKBIITPMCNNZ-FQEVSTJZSA-N 1 0 357.494 3.902 50 0 FHAARO CCC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1 ZINC000036098467 208147640 /nfs/dbraw/zinc/14/76/40/208147640.db2.gz ZLIOSGRPZANBTB-SFHVURJKSA-N 1 0 357.450 3.587 50 0 FHAARO CCn1c(C)cc(O)c([C@H](c2ccccc2OC)[NH+]2CCC(C)CC2)c1=O ZINC000038545821 208203669 /nfs/dbraw/zinc/20/36/69/208203669.db2.gz OZBFRGMMDIXHQT-NRFANRHFSA-N 1 0 370.493 3.712 50 0 FHAARO COc1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc(OC)c1 ZINC000039412512 208212098 /nfs/dbraw/zinc/21/20/98/208212098.db2.gz LKLRJFSEZURBRF-YADHBBJMSA-N 1 0 358.526 3.933 50 0 FHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(-c2cccnc2)on1 ZINC000040105408 208228367 /nfs/dbraw/zinc/22/83/67/208228367.db2.gz WUSCEDOAZGHFJF-UHFFFAOYSA-N 1 0 368.481 3.655 50 0 FHAARO CCOC(=O)Nc1ccc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000040120660 208231949 /nfs/dbraw/zinc/23/19/49/208231949.db2.gz MGNZIRGSIRTBGH-UHFFFAOYSA-N 1 0 374.485 3.595 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1N1CCCC1)c1ccc(F)cc1 ZINC000040152259 208238425 /nfs/dbraw/zinc/23/84/25/208238425.db2.gz UNRHLRFWMOOZDG-FQEVSTJZSA-N 1 0 370.472 3.850 50 0 FHAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Br)c1OC(C)C ZINC000040728855 208265042 /nfs/dbraw/zinc/26/50/42/208265042.db2.gz VNNNRXNXEGMDQK-ZDUSSCGKSA-N 1 0 358.276 3.514 50 0 FHAARO CC(C)Oc1c(Cl)cc(C[NH2+]CCCN2CCCC2=O)cc1Cl ZINC000040730812 208266354 /nfs/dbraw/zinc/26/63/54/208266354.db2.gz CPXNEYPGVAIDKP-UHFFFAOYSA-N 1 0 359.297 3.883 50 0 FHAARO COc1cc(C[NH2+]C2CC2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040742863 208266522 /nfs/dbraw/zinc/26/65/22/208266522.db2.gz BPZDPMBLZBDGIP-UHFFFAOYSA-N 1 0 374.868 3.927 50 0 FHAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]Cc3ccccn3)cc2)cc1 ZINC000040733144 208266608 /nfs/dbraw/zinc/26/66/08/208266608.db2.gz UINNLMDGYUFERN-UHFFFAOYSA-N 1 0 361.445 3.697 50 0 FHAARO OCCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000040744182 208269202 /nfs/dbraw/zinc/26/92/02/208269202.db2.gz DTJBXEOLCWXOHE-UHFFFAOYSA-N 1 0 364.283 3.890 50 0 FHAARO COc1cc2c(cc1OC)[C@@H](COc1cccc3cccnc31)[NH2+]CC2 ZINC000041127972 208282074 /nfs/dbraw/zinc/28/20/74/208282074.db2.gz KDZXNIBIDXOJDH-QGZVFWFLSA-N 1 0 350.418 3.518 50 0 FHAARO Cc1c2ccccc2[nH]c1CN1CC[N@H+](Cc2cccs2)[C@H](CCO)C1 ZINC000042963267 208296821 /nfs/dbraw/zinc/29/68/21/208296821.db2.gz BMGKALOZYPYPBQ-QGZVFWFLSA-N 1 0 369.534 3.607 50 0 FHAARO CC[NH+]1CCC(NC(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)CC1 ZINC000043292504 208304564 /nfs/dbraw/zinc/30/45/64/208304564.db2.gz ONCSMODBZKDIKR-UHFFFAOYSA-N 1 0 370.472 3.590 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)CCCc2nc3ccccc3s2)CC1 ZINC000046049857 208356131 /nfs/dbraw/zinc/35/61/31/208356131.db2.gz HNOPXEYETAAUOT-UHFFFAOYSA-N 1 0 359.539 3.856 50 0 FHAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000046877827 208368541 /nfs/dbraw/zinc/36/85/41/208368541.db2.gz JSBVADNWWUVIAU-LLVKDONJSA-N 1 0 359.695 3.564 50 0 FHAARO CN(C)c1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047486772 208381430 /nfs/dbraw/zinc/38/14/30/208381430.db2.gz QZGVWTXACMZZKF-UHFFFAOYSA-N 1 0 370.472 3.678 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OC(F)F)c1)c1ccsc1 ZINC000047906529 208384906 /nfs/dbraw/zinc/38/49/06/208384906.db2.gz IJSLQYKVYHLCRC-AWEZNQCLSA-N 1 0 355.410 3.774 50 0 FHAARO Cc1noc(C)c1CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000048311114 208398299 /nfs/dbraw/zinc/39/82/99/208398299.db2.gz LAXRRWSRNZJTBO-HZPDHXFCSA-N 1 0 369.509 3.628 50 0 FHAARO CC(C)[NH+](CCNC(=O)Cc1csc(-c2ccsc2)n1)C(C)C ZINC000058398922 208583859 /nfs/dbraw/zinc/58/38/59/208583859.db2.gz QHYAVEVOQHELGW-UHFFFAOYSA-N 1 0 351.541 3.649 50 0 FHAARO Cc1cccc(N2CCC([NH2+]C[C@@H]3CCCN(C(=O)C4CC4)C3)CC2)c1C ZINC000067974055 208744508 /nfs/dbraw/zinc/74/45/08/208744508.db2.gz LFXDNLCTRFMNMO-IBGZPJMESA-N 1 0 369.553 3.510 50 0 FHAARO COc1ccc(-c2ccccc2)cc1-n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072470390 208871124 /nfs/dbraw/zinc/87/11/24/208871124.db2.gz VEGWGJSOYJMCFP-UHFFFAOYSA-N 1 0 371.444 3.515 50 0 FHAARO Cc1ccccc1OC1CCN(C(=O)c2cccc([C@@H]3CC[NH2+]C3)c2)CC1 ZINC000077286358 208895639 /nfs/dbraw/zinc/89/56/39/208895639.db2.gz BONUTPOYOSSHKC-HXUWFJFHSA-N 1 0 364.489 3.756 50 0 FHAARO c1cnn(Cc2nnc(C3CC[NH+](CC4CCCCC4)CC3)n2C2CC2)c1 ZINC000091625321 208984341 /nfs/dbraw/zinc/98/43/41/208984341.db2.gz PNYOYWQSJCXCHY-UHFFFAOYSA-N 1 0 368.529 3.618 50 0 FHAARO COc1ccc2c(C)c(C(=O)NCCC[NH+]3Cc4ccccc4C3)oc2c1 ZINC000091876997 209002838 /nfs/dbraw/zinc/00/28/38/209002838.db2.gz VMXSBOJNMDBXFQ-UHFFFAOYSA-N 1 0 364.445 3.886 50 0 FHAARO CNC(=O)c1cccc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000095959498 209091515 /nfs/dbraw/zinc/09/15/15/209091515.db2.gz RUGCWHSCFGYWSR-UHFFFAOYSA-N 1 0 352.478 3.597 50 0 FHAARO CCC[C@@H](CO)[N@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101105 209020708 /nfs/dbraw/zinc/02/07/08/209020708.db2.gz IAEVNZSSXTWPDB-QFIPXVFZSA-N 1 0 371.521 3.654 50 0 FHAARO CN(Cc1c[nH]nc1-c1ccccc1)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095352512 209022781 /nfs/dbraw/zinc/02/27/81/209022781.db2.gz ZOEFUNUKMCXKNK-FQEVSTJZSA-N 1 0 374.488 3.816 50 0 FHAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000095353350 209023428 /nfs/dbraw/zinc/02/34/28/209023428.db2.gz XOQAMOCEFBZQLC-HNNXBMFYSA-N 1 0 362.905 3.530 50 0 FHAARO O=C(c1ccc(F)cc1Cl)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095355766 209024739 /nfs/dbraw/zinc/02/47/39/209024739.db2.gz QLWNIRWQMKHVLF-WMLDXEAASA-N 1 0 373.859 3.611 50 0 FHAARO Cc1cc(C)c2c(ncnc2N[C@@H]2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)n1 ZINC000095360328 209027594 /nfs/dbraw/zinc/02/75/94/209027594.db2.gz HOEGIIIRVVPBFP-RBUKOAKNSA-N 1 0 361.493 3.617 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cc(C(C)C)no2)C3)cc1 ZINC000095361107 209027783 /nfs/dbraw/zinc/02/77/83/209027783.db2.gz VOXWZJOBUTVTSP-RBUKOAKNSA-N 1 0 369.509 3.903 50 0 FHAARO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095364024 209028995 /nfs/dbraw/zinc/02/89/95/209028995.db2.gz HKFVAJADFANLII-HXUWFJFHSA-N 1 0 374.488 3.816 50 0 FHAARO Oc1cccc([C@@H]2C[N@H+](Cc3ccccc3F)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095367099 209031788 /nfs/dbraw/zinc/03/17/88/209031788.db2.gz XCDDBYPDIDCLLK-KSEOMHKRSA-N 1 0 352.453 3.594 50 0 FHAARO c1cnn(-c2ccc(CN3C[C@H]4CC[C@@H]3C[N@H+](Cc3ccccc3)C4)cc2)c1 ZINC000095369025 209033499 /nfs/dbraw/zinc/03/34/99/209033499.db2.gz ZINDPMRXFQKUEO-LADGPHEKSA-N 1 0 372.516 3.969 50 0 FHAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CC[C@H](c2ccccc2F)C1 ZINC000095370927 209034656 /nfs/dbraw/zinc/03/46/56/209034656.db2.gz NBSHJOAAKQLXSU-KRWDZBQOSA-N 1 0 356.441 3.647 50 0 FHAARO O=C(Cc1ccc(F)cc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095374316 209037325 /nfs/dbraw/zinc/03/73/25/209037325.db2.gz WEGITMOGEKECNK-GHTZIAJQSA-N 1 0 370.443 3.630 50 0 FHAARO Cc1nnc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C2CC2)C3)o1 ZINC000095378694 209038351 /nfs/dbraw/zinc/03/83/51/209038351.db2.gz ZWVSMPIPUOHUKP-LJQANCHMSA-N 1 0 366.509 3.612 50 0 FHAARO Cc1ccc2[nH]c(CN(C)C(=O)c3ccc([C@H]4CCC[NH2+]C4)cc3)nc2c1 ZINC000095380713 209040590 /nfs/dbraw/zinc/04/05/90/209040590.db2.gz DIJBVSGNDOXUCD-SFHVURJKSA-N 1 0 362.477 3.611 50 0 FHAARO Cc1ccc(NC(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)cc1 ZINC000095384791 209041618 /nfs/dbraw/zinc/04/16/18/209041618.db2.gz HBDFKQKLUAJIAB-UHFFFAOYSA-N 1 0 369.513 3.555 50 0 FHAARO Cc1ccsc1C[N@@H+]1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095392507 209047359 /nfs/dbraw/zinc/04/73/59/209047359.db2.gz ZAQILOYJTOKENL-CEWLAPEOSA-N 1 0 354.519 3.824 50 0 FHAARO CC(C)c1cc(C(=O)N2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)on1 ZINC000095499383 209061519 /nfs/dbraw/zinc/06/15/19/209061519.db2.gz BRLUTZRSDAIQRN-SFHVURJKSA-N 1 0 367.493 3.892 50 0 FHAARO CC(C)[NH+]1CCC(CC(=O)NCc2cc(-c3cccc(F)c3)no2)CC1 ZINC000095391265 209047671 /nfs/dbraw/zinc/04/76/71/209047671.db2.gz ZHJQZCVAGGVSDR-UHFFFAOYSA-N 1 0 359.445 3.607 50 0 FHAARO CC[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000095404813 209048788 /nfs/dbraw/zinc/04/87/88/209048788.db2.gz UCHGZMFBWCEKSC-DYESRHJHSA-N 1 0 367.493 3.663 50 0 FHAARO COCC[N@H+](C)Cc1ccnc(NCc2ccc(OC(C)C)c(OC)c2)c1 ZINC000095450110 209050939 /nfs/dbraw/zinc/05/09/39/209050939.db2.gz HRHUNIMYGXJBGS-UHFFFAOYSA-N 1 0 373.497 3.568 50 0 FHAARO COc1ccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c(Cl)c1 ZINC000095452799 209052257 /nfs/dbraw/zinc/05/22/57/209052257.db2.gz ZGZSKSQWMCQIRU-UHFFFAOYSA-N 1 0 353.894 3.934 50 0 FHAARO COCc1ccccc1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000095452058 209052402 /nfs/dbraw/zinc/05/24/02/209052402.db2.gz KRUPRHSWUHGQLY-QZTJIDSGSA-N 1 0 367.493 3.960 50 0 FHAARO Cc1cc(C)c(C(=O)N2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)cn1 ZINC000095499337 209061220 /nfs/dbraw/zinc/06/12/20/209061220.db2.gz NNVPDJXRUQRXTJ-FQEVSTJZSA-N 1 0 363.505 3.793 50 0 FHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 ZINC000095505055 209064518 /nfs/dbraw/zinc/06/45/18/209064518.db2.gz HPMGEOLSQNAGRO-KRWDZBQOSA-N 1 0 373.472 3.739 50 0 FHAARO Cc1nn(C)c2nc(NC[C@@H](c3ccccc3F)[NH+]3CCCC3)sc12 ZINC000095502535 209063277 /nfs/dbraw/zinc/06/32/77/209063277.db2.gz OHBRSJIXCCQBIW-HNNXBMFYSA-N 1 0 359.474 3.726 50 0 FHAARO C[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)C(=O)Nc1ccccc1Cl ZINC000056207960 221079023 /nfs/dbraw/zinc/07/90/23/221079023.db2.gz PAFIIONSPBKHSK-HNNXBMFYSA-N 1 0 368.868 3.702 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)cc1O ZINC000095518233 209070511 /nfs/dbraw/zinc/07/05/11/209070511.db2.gz RKSSYNQCORCKHC-JOCHJYFZSA-N 1 0 369.461 3.974 50 0 FHAARO Cc1nc2c(c(N(C)CC[C@H](C)[NH+]3CCCC3)n1)Cc1ccccc1OC2 ZINC000095518692 209072940 /nfs/dbraw/zinc/07/29/40/209072940.db2.gz XUXJRMKYKWXCDW-INIZCTEOSA-N 1 0 366.509 3.579 50 0 FHAARO Cc1cc2cccc(NC(=O)N3CCC([NH+]4CCSCC4)CC3)c2o1 ZINC000095518864 209072547 /nfs/dbraw/zinc/07/25/47/209072547.db2.gz KLYGRFBDBXPYEO-UHFFFAOYSA-N 1 0 359.495 3.786 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(c3cc(OC)ncn3)CC2)C1 ZINC000091390929 132201416 /nfs/dbraw/zinc/20/14/16/132201416.db2.gz ZVEYJJGLMQYSKW-LJQANCHMSA-N 1 0 366.509 3.581 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cc(OC)ncn3)CC2)C1 ZINC000091390930 132201459 /nfs/dbraw/zinc/20/14/59/132201459.db2.gz ZVEYJJGLMQYSKW-IBGZPJMESA-N 1 0 366.509 3.581 50 0 FHAARO Cc1cc(N2CCC([NH2+]CCc3ccncc3)CC2)nc(-c2ccccc2)n1 ZINC000095522118 132214294 /nfs/dbraw/zinc/21/42/94/132214294.db2.gz FXNWMMXIKPTIKP-UHFFFAOYSA-N 1 0 373.504 3.648 50 0 FHAARO CC[C@@H]([NH2+]C1CCN(c2nc(C)nc3sccc32)CC1)c1nc(C)c[nH]1 ZINC000096136576 132220165 /nfs/dbraw/zinc/22/01/65/132220165.db2.gz YCORJKKFVZNWNU-MRXNPFEDSA-N 1 0 370.526 3.741 50 0 FHAARO Oc1ccccc1N1CCN(Cc2cc(C[NH+]3CCCCC3)cs2)CC1 ZINC000218922186 132273618 /nfs/dbraw/zinc/27/36/18/132273618.db2.gz KKTGVMQZMLTWMY-UHFFFAOYSA-N 1 0 371.550 3.762 50 0 FHAARO Cc1nc([C@@H](C)N(C)CC[NH+]2CCN(c3ccccc3)CC2)c(C)s1 ZINC000252479919 132292246 /nfs/dbraw/zinc/29/22/46/132292246.db2.gz BPYSYWFYLKEMNW-MRXNPFEDSA-N 1 0 358.555 3.575 50 0 FHAARO COc1cccc(N2CCN(C3CC[NH+](Cc4cccs4)CC3)CC2)c1 ZINC000252488299 132292415 /nfs/dbraw/zinc/29/24/15/132292415.db2.gz IORYJSCGRHIWAZ-UHFFFAOYSA-N 1 0 371.550 3.543 50 0 FHAARO CCCOc1ccc(-c2nc3ccccc3c(N3CC[NH+](C)CC3)n2)cc1 ZINC000001816773 132382358 /nfs/dbraw/zinc/38/23/58/132382358.db2.gz QOXRKGCSOOOUCE-UHFFFAOYSA-N 1 0 362.477 3.837 50 0 FHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1 ZINC000003552996 132385483 /nfs/dbraw/zinc/38/54/83/132385483.db2.gz ZDLVMIBRPNGQHI-UHFFFAOYSA-N 1 0 364.276 3.998 50 0 FHAARO CCOc1ccc(Nc2nc3ccccc3c(N3CC[NH+](C)CC3)n2)cc1 ZINC000004331340 132386877 /nfs/dbraw/zinc/38/68/77/132386877.db2.gz UFBOSWBNBOVYAJ-UHFFFAOYSA-N 1 0 363.465 3.524 50 0 FHAARO C[C@@H]1CN(c2ccc(-c3nc(-c4cccc(Cl)c4)no3)cn2)CC[N@@H+]1C ZINC000039437042 136119084 /nfs/dbraw/zinc/11/90/84/136119084.db2.gz NIVMPECDTKRJBW-CYBMUJFWSA-N 1 0 369.856 3.592 50 0 FHAARO C[C@H]1CN(c2ccc(-c3nc(-c4cccc(Cl)c4)no3)cn2)CC[N@@H+]1C ZINC000039437044 136119087 /nfs/dbraw/zinc/11/90/87/136119087.db2.gz NIVMPECDTKRJBW-ZDUSSCGKSA-N 1 0 369.856 3.592 50 0 FHAARO C[C@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000043800744 136121399 /nfs/dbraw/zinc/12/13/99/136121399.db2.gz LLHLKPDOQANCTG-AWEZNQCLSA-N 1 0 374.435 3.599 50 0 FHAARO C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000057500663 136129470 /nfs/dbraw/zinc/12/94/70/136129470.db2.gz YPPXFLMMXSKHJD-MRXNPFEDSA-N 1 0 355.507 3.558 50 0 FHAARO Cc1ccc2c(c1)[nH]c1c2ncnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000059837384 136132207 /nfs/dbraw/zinc/13/22/07/136132207.db2.gz DELDQGNRAOOFAU-UHFFFAOYSA-N 1 0 357.461 3.742 50 0 FHAARO CCC[C@@H]1CC[N@@H+](C2CCN(c3cccc(N4CCN(C)C4=O)c3)CC2)C1 ZINC000063868887 136132938 /nfs/dbraw/zinc/13/29/38/136132938.db2.gz ORIIFVYIEXDAIA-GOSISDBHSA-N 1 0 370.541 3.649 50 0 FHAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1C(F)(F)F ZINC000070928618 136138593 /nfs/dbraw/zinc/13/85/93/136138593.db2.gz GAXROEZPSSKDDE-UHFFFAOYSA-N 1 0 363.383 3.747 50 0 FHAARO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC000019228661 136152180 /nfs/dbraw/zinc/15/21/80/136152180.db2.gz HUGVFEVVZWKKPX-IBGZPJMESA-N 1 0 367.459 3.844 50 0 FHAARO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000023211981 136152516 /nfs/dbraw/zinc/15/25/16/136152516.db2.gz ZZGCNFODKVEKHA-FQEVSTJZSA-N 1 0 374.912 3.519 50 0 FHAARO C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(OCc2ccccc2)c1 ZINC000095522199 209074277 /nfs/dbraw/zinc/07/42/77/209074277.db2.gz OFFAJCVXAAQGCA-IBGZPJMESA-N 1 0 353.466 3.871 50 0 FHAARO Cc1cc(C)nc(CNC(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3C)c2)n1 ZINC000095525652 209075259 /nfs/dbraw/zinc/07/52/59/209075259.db2.gz JQMRYDLGSNSCBH-KRWDZBQOSA-N 1 0 367.497 3.790 50 0 FHAARO CN(Cc1ccccc1)C(=O)CCC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000095524510 209075348 /nfs/dbraw/zinc/07/53/48/209075348.db2.gz ACQOVKPLSQQTSW-NRFANRHFSA-N 1 0 358.526 3.564 50 0 FHAARO Cc1cc(C(=O)N(CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)c(C)n1C ZINC000095528290 209077449 /nfs/dbraw/zinc/07/74/49/209077449.db2.gz MSVNCWKGVBYMJN-NRFANRHFSA-N 1 0 367.537 3.669 50 0 FHAARO O=C(C1CC1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095531036 209079417 /nfs/dbraw/zinc/07/94/17/209079417.db2.gz ZAPBKPLRWGIABQ-IBGZPJMESA-N 1 0 355.526 3.865 50 0 FHAARO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccnc1Oc1ccccc1F ZINC000011818563 263368046 /nfs/dbraw/zinc/36/80/46/263368046.db2.gz PDBQCONGWGFLGS-QGZVFWFLSA-N 1 0 357.429 3.504 50 0 FHAARO Cc1cc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc(C)c1Cl ZINC000019781603 263376304 /nfs/dbraw/zinc/37/63/04/263376304.db2.gz BYNNJWFNXJTZCQ-IBGZPJMESA-N 1 0 374.912 3.519 50 0 FHAARO Cc1ccsc1CN(Cc1ccccn1)C(=O)NC[C@]1(C)CC[N@@H+](C)C1 ZINC000426470692 263597102 /nfs/dbraw/zinc/59/71/02/263597102.db2.gz PQMGGWKWFFFCGJ-FQEVSTJZSA-N 1 0 372.538 3.505 50 0 FHAARO CC[NH+](CC)C[C@H](NC(=O)NCCc1ccc(F)cc1)c1ccccc1 ZINC000040058077 520738151 /nfs/dbraw/zinc/73/81/51/520738151.db2.gz XKWZECGHPCXHRU-FQEVSTJZSA-N 1 0 357.473 3.751 50 0 FHAARO CCC[C@@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)nc2)C[C@H]1[NH+](C)C ZINC000082096719 520835144 /nfs/dbraw/zinc/83/51/44/520835144.db2.gz UQNNFMHZUKHKAR-YLJYHZDGSA-N 1 0 355.457 3.690 50 0 FHAARO C[NH+](C)CCN(Cc1ccccc1F)C(=S)NC1CCCCCC1 ZINC000020215532 521750289 /nfs/dbraw/zinc/75/02/89/521750289.db2.gz DLGSCZZRBKEHSV-UHFFFAOYSA-N 1 0 351.535 3.787 50 0 FHAARO COc1cc(/C=C/C[N@@H+]2CCc3[nH]nc(-c4ccccc4)c3C2)ccc1O ZINC000020511993 521940686 /nfs/dbraw/zinc/94/06/86/521940686.db2.gz ZVOROENPVSLRHT-AATRIKPKSA-N 1 0 361.445 3.862 50 0 FHAARO COC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(OC)c3OC)oc2C)C1 ZINC000020909467 522456145 /nfs/dbraw/zinc/45/61/45/522456145.db2.gz XKZAYSMKRQSTGN-OAHLLOKOSA-N 1 0 360.454 3.526 50 0 FHAARO COc1cc(SC)c(OC)cc1C[N@@H+]1CC[C@@](O)(c2ccccc2)C1 ZINC000216547120 522897729 /nfs/dbraw/zinc/89/77/29/522897729.db2.gz IQFGGJVGHQKVAM-FQEVSTJZSA-N 1 0 359.491 3.519 50 0 FHAARO C[N@@H+]1CCC[C@H](CNc2ccc(-c3nc(-c4ccccc4F)no3)cn2)C1 ZINC000020541161 523841361 /nfs/dbraw/zinc/84/13/61/523841361.db2.gz ZHVNNJNNHFTEOB-CQSZACIVSA-N 1 0 367.428 3.691 50 0 FHAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1cnc(-c3cccc(C)c3)nc1)C2 ZINC000020390472 524242920 /nfs/dbraw/zinc/24/29/20/524242920.db2.gz GMJLVGBHUIBLOF-IBGZPJMESA-N 1 0 361.445 3.554 50 0 FHAARO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020347322 524318241 /nfs/dbraw/zinc/31/82/41/524318241.db2.gz LNZGCQZQEBDVRK-FQEVSTJZSA-N 1 0 374.912 3.519 50 0 FHAARO Cc1ccc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)s1 ZINC000020600082 524459114 /nfs/dbraw/zinc/45/91/14/524459114.db2.gz BRKGAMUXEMECDF-FQEVSTJZSA-N 1 0 358.551 3.558 50 0 FHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 ZINC000156350602 525010809 /nfs/dbraw/zinc/01/08/09/525010809.db2.gz LRUWZIHSPZOTQE-CRAIPNDOSA-N 1 0 356.441 3.604 50 0 FHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2OCc2ccc(F)cc2)C1 ZINC000156246450 525021256 /nfs/dbraw/zinc/02/12/56/525021256.db2.gz ZFMHMKSYFNZULS-WBVHZDCISA-N 1 0 356.441 3.604 50 0 FHAARO Cc1ccc(NC(=O)NCCCN2CCC([NH+]3CCCCC3)CC2)c(C)c1 ZINC000020889707 525158539 /nfs/dbraw/zinc/15/85/39/525158539.db2.gz FBSJXGVOMHVVCV-UHFFFAOYSA-N 1 0 372.557 3.765 50 0 FHAARO Cc1ccccc1N1CCCN(C(=O)c2ccc([C@H]3CCC[NH2+]3)s2)CC1 ZINC000091493252 525220599 /nfs/dbraw/zinc/22/05/99/525220599.db2.gz HXDVGBBKTJCLPA-QGZVFWFLSA-N 1 0 369.534 3.834 50 0 FHAARO COc1ccc([C@H](C)[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1F ZINC000248248208 525321026 /nfs/dbraw/zinc/32/10/26/525321026.db2.gz KPCJFBUWSHCIGF-KLHJMIIUSA-N 1 0 373.468 3.940 50 0 FHAARO COc1cccc(-c2ccc(N3CCC([NH2+]Cc4ncc[nH]4)CC3)cc2)c1 ZINC000020865839 525713137 /nfs/dbraw/zinc/71/31/37/525713137.db2.gz XDMMRDJIFRMLJI-UHFFFAOYSA-N 1 0 362.477 3.844 50 0 FHAARO CSc1ccc(CN2CCC[C@@H]([N@H+](C)CCc3ccccn3)C2)cc1 ZINC000020905526 525990602 /nfs/dbraw/zinc/99/06/02/525990602.db2.gz UPAWJZDATFOQRW-HXUWFJFHSA-N 1 0 355.551 3.942 50 0 FHAARO Cc1nn2c(nc(N3CCC[N@@H+]4CCC[C@H]4C3)c3ccccc32)c1Cl ZINC000242389418 526312853 /nfs/dbraw/zinc/31/28/53/526312853.db2.gz ZXBWZMUSPRWYCP-AWEZNQCLSA-N 1 0 355.873 3.519 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000020907682 526314902 /nfs/dbraw/zinc/31/49/02/526314902.db2.gz APCXSKTWNJOYMZ-SFHVURJKSA-N 1 0 368.431 3.719 50 0 FHAARO Fc1ccccc1CN1CCC[C@H]([NH2+]Cc2cccn2-c2ccccn2)C1 ZINC000020255658 526410364 /nfs/dbraw/zinc/41/03/64/526410364.db2.gz JNHVCBQVMKMPEB-IBGZPJMESA-N 1 0 364.468 3.766 50 0 FHAARO c1cc(-c2ccc(C[N@H+]3CCC[C@@H](OCc4ccccn4)C3)s2)n[nH]1 ZINC000216384387 526411423 /nfs/dbraw/zinc/41/14/23/526411423.db2.gz UMGVMANPOIHQLS-MRXNPFEDSA-N 1 0 354.479 3.714 50 0 FHAARO O=C(CCC[N@@H+]1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1)c1ccc(F)cc1 ZINC000091645683 526433275 /nfs/dbraw/zinc/43/32/75/526433275.db2.gz SQDIKCNICRPVDU-QFIPXVFZSA-N 1 0 372.484 3.656 50 0 FHAARO Cc1noc2ncnc(NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c12 ZINC000020575207 526687864 /nfs/dbraw/zinc/68/78/64/526687864.db2.gz LLROVSSNXVTJBV-UHFFFAOYSA-N 1 0 371.872 3.904 50 0 FHAARO Cn1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c2ccccc21 ZINC000020936086 527165038 /nfs/dbraw/zinc/16/50/38/527165038.db2.gz HJUKSMCUKFJQIN-LJQANCHMSA-N 1 0 351.450 3.728 50 0 FHAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C1 ZINC000178574578 527217868 /nfs/dbraw/zinc/21/78/68/527217868.db2.gz UKMYZGPQNKVLOD-ZDUSSCGKSA-N 1 0 363.383 3.870 50 0 FHAARO FC(F)(F)c1cccc(OCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020500159 527686320 /nfs/dbraw/zinc/68/63/20/527686320.db2.gz FRVKAMAPGDOAOR-UHFFFAOYSA-N 1 0 364.411 3.902 50 0 FHAARO CCC(CC)[C@H]([NH2+]Cc1cnc(N2CCOCC2)nc1)c1ccccc1 ZINC000048302018 535148413 /nfs/dbraw/zinc/14/84/13/535148413.db2.gz ZHLGSTICBLSHLO-FQEVSTJZSA-N 1 0 354.498 3.580 50 0 FHAARO CC(C)COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000006702535 535218424 /nfs/dbraw/zinc/21/84/24/535218424.db2.gz NHKJPXKDFUBWFB-UHFFFAOYSA-N 1 0 367.493 3.726 50 0 FHAARO CCc1ccc2nc(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)cc(C)c2c1 ZINC000055575477 535831521 /nfs/dbraw/zinc/83/15/21/535831521.db2.gz XOIORGKSMPLWDB-IBGZPJMESA-N 1 0 367.537 3.779 50 0 FHAARO COc1ccc(C[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000023282844 536495656 /nfs/dbraw/zinc/49/56/56/536495656.db2.gz MVUXNMHGVBGECN-MRXNPFEDSA-N 1 0 358.457 3.596 50 0 FHAARO COc1cccc2ccc(C[NH+]3CCC(OCc4ccccn4)CC3)nc21 ZINC000214987123 568038364 /nfs/dbraw/zinc/03/83/64/568038364.db2.gz TUBKRWGHDDWOOZ-UHFFFAOYSA-N 1 0 363.461 3.820 50 0 FHAARO CCc1ccc2nc(C)cc(C(=O)N3CCC[C@H](c4nccn4C)C3)c2c1 ZINC000215094717 568051400 /nfs/dbraw/zinc/05/14/00/568051400.db2.gz GZKZYACRFIEYDT-KRWDZBQOSA-N 1 0 362.477 3.859 50 0 FHAARO O[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cnc(N3CCCC3)s2)CC1 ZINC000215111463 568052367 /nfs/dbraw/zinc/05/23/67/568052367.db2.gz IWYJPJIVFLMZIV-FQEVSTJZSA-N 1 0 371.550 3.559 50 0 FHAARO COCCc1noc([C@@H]2CCC[N@H+](Cc3cccc(-c4ccco4)c3)C2)n1 ZINC000215374159 568066770 /nfs/dbraw/zinc/06/67/70/568066770.db2.gz VBRAAZLFIOIRGR-GOSISDBHSA-N 1 0 367.449 3.898 50 0 FHAARO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@]1(c2ccccc2)CC1(C)C ZINC000215499120 568073817 /nfs/dbraw/zinc/07/38/17/568073817.db2.gz ILTJXQVKCVMSOW-NRFANRHFSA-N 1 0 357.519 3.890 50 0 FHAARO Cc1ccc(C[N@@H+](C)Cc2ccc(OCC(=O)N3CCCCC3)cc2)o1 ZINC000215792228 568089069 /nfs/dbraw/zinc/08/90/69/568089069.db2.gz KCDNZBOMDMBJPT-UHFFFAOYSA-N 1 0 356.466 3.611 50 0 FHAARO C[N@@H+](Cc1ccc2cc(Cl)ccc2n1)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000215851180 568092458 /nfs/dbraw/zinc/09/24/58/568092458.db2.gz LWRZWLXBJMYDQS-CQSZACIVSA-N 1 0 359.901 3.967 50 0 FHAARO COc1ccc(C[N@H+](C)Cc2cnc(N3CCCC3)s2)c2cccnc12 ZINC000215994066 568099590 /nfs/dbraw/zinc/09/95/90/568099590.db2.gz IUJAKSBBMGQYPM-UHFFFAOYSA-N 1 0 368.506 3.932 50 0 FHAARO CCn1ccnc1CN(C)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000218932441 568257952 /nfs/dbraw/zinc/25/79/52/568257952.db2.gz UKQSLCCTRPYYQE-UHFFFAOYSA-N 1 0 354.498 3.551 50 0 FHAARO Cc1ccc(-n2cccn2)c(CN2CCC[N@H+](Cc3cccs3)CC2)c1 ZINC000219650268 568296462 /nfs/dbraw/zinc/29/64/62/568296462.db2.gz FJELXUHMWGKKHA-UHFFFAOYSA-N 1 0 366.534 3.950 50 0 FHAARO CCc1ccc(OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000221835888 568463474 /nfs/dbraw/zinc/46/34/74/568463474.db2.gz WZLFMAPFGQJNFV-RXVVDRJESA-N 1 0 366.505 3.797 50 0 FHAARO c1cc(-c2ccc(CN3C[C@H]4CC[C@H](C[N@H+]4Cc4ccccc4)C3)o2)n[nH]1 ZINC000091829560 570440015 /nfs/dbraw/zinc/44/00/15/570440015.db2.gz LVZNCDRZTIQLSD-RBUKOAKNSA-N 1 0 362.477 3.766 50 0 FHAARO COc1ccc(C)cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091820167 570440087 /nfs/dbraw/zinc/44/00/87/570440087.db2.gz FRVNTAIAQJGTMH-VQTJNVASSA-N 1 0 364.489 3.740 50 0 FHAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)n3)cc2)CC1 ZINC000426411447 570450276 /nfs/dbraw/zinc/45/02/76/570450276.db2.gz NHYHQYVWXZVXMU-HNNXBMFYSA-N 1 0 363.383 3.721 50 0 FHAARO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccc(Br)cc1 ZINC000000895016 570463136 /nfs/dbraw/zinc/46/31/36/570463136.db2.gz XAQGJZXBBPDAJQ-UHFFFAOYSA-N 1 0 359.267 3.836 50 0 FHAARO CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CC[NH+](CC)CC1 ZINC000000955756 570466670 /nfs/dbraw/zinc/46/66/70/570466670.db2.gz CKNCIEDFYBKWED-UHFFFAOYSA-N 1 0 361.873 3.515 50 0 FHAARO O=C(CCC1CCCC1)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000001167910 570486390 /nfs/dbraw/zinc/48/63/90/570486390.db2.gz ADCJCJBRMPHSLA-UHFFFAOYSA-N 1 0 369.553 3.770 50 0 FHAARO COc1ccc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)cc1OC ZINC000001179406 570489273 /nfs/dbraw/zinc/48/92/73/570489273.db2.gz SKNHQTDRDMSEFD-UHFFFAOYSA-N 1 0 374.525 3.755 50 0 FHAARO Cc1cc2c(cc1C)[n+](C[C@H](O)COc1ccc(C(C)C)cc1)cn2C ZINC000001215762 570493676 /nfs/dbraw/zinc/49/36/76/570493676.db2.gz QTLUWOJKBIWGJB-IBGZPJMESA-N 1 0 353.486 3.646 50 0 FHAARO C[C@@H]1C[C@@H](C)CN(Cc2nc(N)nc(Nc3ccc4ccccc4c3)n2)C1 ZINC000001459341 570500691 /nfs/dbraw/zinc/50/06/91/570500691.db2.gz MXUQNKSYQMNKLF-HUUCEWRRSA-N 1 0 362.481 3.829 50 0 FHAARO COc1cccc(N2CCC([NH+]3CCC(Oc4ccncc4)CC3)CC2)c1 ZINC000584901411 570510292 /nfs/dbraw/zinc/51/02/92/570510292.db2.gz XXHIZWJRYQKXDB-UHFFFAOYSA-N 1 0 367.493 3.602 50 0 FHAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000002861591 570539585 /nfs/dbraw/zinc/53/95/85/570539585.db2.gz OQXKPKSWXQMMAC-UHFFFAOYSA-N 1 0 360.885 3.923 50 0 FHAARO O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(Oc2ccncc2)cc1 ZINC000050487954 570547213 /nfs/dbraw/zinc/54/72/13/570547213.db2.gz JVPPHGBOTPGIHV-UHFFFAOYSA-N 1 0 374.462 3.560 50 0 FHAARO O[C@@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc(-c2ccncc2)cs1 ZINC000004916077 570558922 /nfs/dbraw/zinc/55/89/22/570558922.db2.gz ZKEVILHGHHTJSI-XHDPSFHLSA-N 1 0 368.384 3.822 50 0 FHAARO O=C(O[C@H]1C[NH+]2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000003936683 570572194 /nfs/dbraw/zinc/57/21/94/570572194.db2.gz FBOUYBDGKBSUES-VXKWHMMOSA-N 1 0 362.473 3.865 50 0 fda FHAARO COc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000004019226 570573044 /nfs/dbraw/zinc/57/30/44/570573044.db2.gz RTLVZLJLCAFHDJ-UHFFFAOYSA-N 1 0 367.848 3.927 50 0 FHAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccccc3C)sc2c1 ZINC000005115095 570586591 /nfs/dbraw/zinc/58/65/91/570586591.db2.gz SPLZZEHQIIGSNX-UHFFFAOYSA-N 1 0 369.490 3.822 50 0 FHAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccco3)nc21 ZINC000005122393 570587627 /nfs/dbraw/zinc/58/76/27/570587627.db2.gz NPWQCBLZMOZDGE-UHFFFAOYSA-N 1 0 373.478 3.887 50 0 FHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(Br)o2)C1 ZINC000248086278 570596481 /nfs/dbraw/zinc/59/64/81/570596481.db2.gz KGRQDDYCSAFSPB-UPJWGTAASA-N 1 0 355.276 3.520 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2)CC1 ZINC000004738625 570603921 /nfs/dbraw/zinc/60/39/21/570603921.db2.gz DSLAAQLFYGTBLI-UHFFFAOYSA-N 1 0 373.884 3.743 50 0 FHAARO c1ccc(N2CCN(CC[NH2+][C@@H]3CCc4cc5c(cc43)CCC5)CC2)cc1 ZINC000033872323 570619667 /nfs/dbraw/zinc/61/96/67/570619667.db2.gz IDJUBUPWGLMOGO-XMMPIXPASA-N 1 0 361.533 3.574 50 0 FHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2cccs2)CC1 ZINC000005200852 570632888 /nfs/dbraw/zinc/63/28/88/570632888.db2.gz UCKCDBJWQMITQW-FNORWQNLSA-N 1 0 361.898 3.805 50 0 FHAARO COc1ccc(N2C[C@@](O)(c3ccc(C)cc3)[N+]3=C2CCCCC3)cc1 ZINC000002974575 570678680 /nfs/dbraw/zinc/67/86/80/570678680.db2.gz NCKDUONQOOVDAV-JOCHJYFZSA-N 1 0 351.470 3.654 50 0 FHAARO COCCN1CC[NH+]([C@@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000022865510 570695320 /nfs/dbraw/zinc/69/53/20/570695320.db2.gz NJMJOYTZYSTFTB-OAQYLSRUSA-N 1 0 354.519 3.646 50 0 FHAARO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000012072692 570716145 /nfs/dbraw/zinc/71/61/45/570716145.db2.gz SSVZEWGHZZFBLD-NDEHPHGNSA-N 1 0 367.493 3.669 50 0 FHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000012301159 570733797 /nfs/dbraw/zinc/73/37/97/570733797.db2.gz KXCDKVHADDHJNI-HNNXBMFYSA-N 1 0 353.422 3.598 50 0 FHAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2ccc(F)cc2)CC1 ZINC000012431457 570744409 /nfs/dbraw/zinc/74/44/09/570744409.db2.gz WMKSNPTWEKWOFO-UHFFFAOYSA-N 1 0 354.469 3.852 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Nc2ccccc2F)[NH+]2CCCC2)cc1 ZINC000012977075 570769713 /nfs/dbraw/zinc/76/97/13/570769713.db2.gz IAFXCSRSBCEUIS-LJQANCHMSA-N 1 0 357.429 3.793 50 0 FHAARO COc1ccc([C@H](CNC(=O)Nc2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000012998926 570771564 /nfs/dbraw/zinc/77/15/64/570771564.db2.gz LDIIEKYCVOOUSM-IBGZPJMESA-N 1 0 369.465 3.662 50 0 FHAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000013595091 570780360 /nfs/dbraw/zinc/78/03/60/570780360.db2.gz XXKHXAVSFKYRHI-UHFFFAOYSA-N 1 0 369.509 3.588 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc4cccnc43)c(C)c2)CC1 ZINC000032719532 570781261 /nfs/dbraw/zinc/78/12/61/570781261.db2.gz ASCJFUMAIPDLEY-UHFFFAOYSA-N 1 0 374.488 3.937 50 0 FHAARO Cc1c(Cl)cccc1NC(=O)C[n+]1cc(-c2ccccc2)n2c1CCC2 ZINC000013770411 570790613 /nfs/dbraw/zinc/79/06/13/570790613.db2.gz IBYAECIBUQJYLL-UHFFFAOYSA-O 1 0 366.872 3.989 50 0 FHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccnc1N1CCCC1 ZINC000014117253 570806469 /nfs/dbraw/zinc/80/64/69/570806469.db2.gz UPPONLWZLZRZOG-UHFFFAOYSA-N 1 0 370.541 3.600 50 0 FHAARO Cc1nc2cc(F)ccc2cc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000032857679 570822304 /nfs/dbraw/zinc/82/23/04/570822304.db2.gz FNNSSXHNWLBNGT-UHFFFAOYSA-N 1 0 365.452 3.934 50 0 FHAARO CC(C)CC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014754679 570822923 /nfs/dbraw/zinc/82/29/23/570822923.db2.gz MDQBZLROHRFBMB-GOSISDBHSA-N 1 0 374.573 3.658 50 0 FHAARO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000014949313 570826405 /nfs/dbraw/zinc/82/64/05/570826405.db2.gz BIBQMVBYPLQZMF-HNNXBMFYSA-N 1 0 355.825 3.971 50 0 FHAARO CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCc3nnc(Cc4ccccc4)n3CC1)=CC2 ZINC000014997028 570828462 /nfs/dbraw/zinc/82/84/62/570828462.db2.gz JZKQCLRXTADOFO-PMACEKPBSA-N 1 0 362.521 3.719 50 0 FHAARO CCn1ccnc1CN(C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000015067389 570830854 /nfs/dbraw/zinc/83/08/54/570830854.db2.gz OOPIVOGLDJADSU-UHFFFAOYSA-N 1 0 374.960 3.943 50 0 FHAARO COCCOC1CC[NH+](Cc2nc(-c3ccc(OC)c(C)c3)oc2C)CC1 ZINC000015068068 570830972 /nfs/dbraw/zinc/83/09/72/570830972.db2.gz IWYOUYPVCQKIAB-UHFFFAOYSA-N 1 0 374.481 3.594 50 0 FHAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 ZINC000015073345 570831417 /nfs/dbraw/zinc/83/14/17/570831417.db2.gz CUCVXFWNUKPKPX-OAHLLOKOSA-N 1 0 361.873 3.652 50 0 FHAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc2ccccc21 ZINC000015075926 570831892 /nfs/dbraw/zinc/83/18/92/570831892.db2.gz XFTQDYKLTOGEAF-IBGZPJMESA-N 1 0 359.473 3.877 50 0 FHAARO CCN1CCN(C(=O)CCC2CC[NH+](C3CCCCCCC3)CC2)CC1 ZINC000015077402 570832004 /nfs/dbraw/zinc/83/20/04/570832004.db2.gz VFFFUSUTFLTNIL-UHFFFAOYSA-N 1 0 363.590 3.756 50 0 FHAARO CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000015746253 570843512 /nfs/dbraw/zinc/84/35/12/570843512.db2.gz QPSBMXGXDJRQNS-MRXNPFEDSA-N 1 0 359.877 3.512 50 0 FHAARO O=C(C[NH2+]Cc1cccc(OCc2ccccn2)c1)Nc1cccc(F)c1 ZINC000051188774 570843953 /nfs/dbraw/zinc/84/39/53/570843953.db2.gz JMOXBYOTHJUWOR-UHFFFAOYSA-N 1 0 365.408 3.528 50 0 FHAARO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)ccc1OCC(N)=O ZINC000015836826 570845272 /nfs/dbraw/zinc/84/52/72/570845272.db2.gz DQOLEYCTLQZNFT-IBGZPJMESA-N 1 0 368.477 3.595 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCCC2)o1 ZINC000015860195 570846334 /nfs/dbraw/zinc/84/63/34/570846334.db2.gz QIHLVXKAORASOU-HXUWFJFHSA-N 1 0 370.493 3.927 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+]2CCCC2)o1 ZINC000015860249 570846472 /nfs/dbraw/zinc/84/64/72/570846472.db2.gz PQGMUTPPMAYKNG-LJQANCHMSA-N 1 0 356.466 3.537 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860290 570846754 /nfs/dbraw/zinc/84/67/54/570846754.db2.gz KJUNMPVWJXVQJR-LJQANCHMSA-N 1 0 374.456 3.695 50 0 FHAARO CCN1CCC[C@@H]1C[NH2+][C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000103952039 570854606 /nfs/dbraw/zinc/85/46/06/570854606.db2.gz XFYNEJAINDSACU-IEBWSBKVSA-N 1 0 367.493 3.880 50 0 FHAARO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCc2ccccc21 ZINC000016342728 570854871 /nfs/dbraw/zinc/85/48/71/570854871.db2.gz ZXEAYQDTBIIKTN-LJQANCHMSA-N 1 0 366.461 3.796 50 0 FHAARO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000016439249 570856314 /nfs/dbraw/zinc/85/63/14/570856314.db2.gz QXIXMWGHCAVDHD-NEFAXPCMSA-N 1 0 358.530 3.512 50 0 FHAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000016603584 570858686 /nfs/dbraw/zinc/85/86/86/570858686.db2.gz FYEQTGPQDNTQCB-LBPRGKRZSA-N 1 0 359.297 3.751 50 0 FHAARO O=C(NCc1ccccc1)NCC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000016622575 570859029 /nfs/dbraw/zinc/85/90/29/570859029.db2.gz ALTRXENIOYSFIX-UHFFFAOYSA-N 1 0 369.484 3.580 50 0 FHAARO C[C@@H](NC(=O)C[NH2+]CCOc1ccccc1F)c1ccc2ccccc2c1 ZINC000016695439 570860500 /nfs/dbraw/zinc/86/05/00/570860500.db2.gz JBLMWGNQJJQDNU-MRXNPFEDSA-N 1 0 366.436 3.825 50 0 FHAARO O=C1CCCN1c1ccc(C[NH2+]Cc2ccccc2Br)cc1 ZINC000015580802 570863308 /nfs/dbraw/zinc/86/33/08/570863308.db2.gz MHMWZQOGPIBRGA-UHFFFAOYSA-N 1 0 359.267 3.866 50 0 FHAARO C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985047 570865772 /nfs/dbraw/zinc/86/57/72/570865772.db2.gz CCRYVKOEOBSQCC-HNAYVOBHSA-N 1 0 358.869 3.716 50 0 FHAARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000012062769 570889024 /nfs/dbraw/zinc/88/90/24/570889024.db2.gz AXUCLOBBWBGBDC-NRFANRHFSA-N 1 0 368.477 3.661 50 0 FHAARO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCS1 ZINC000106920729 570894212 /nfs/dbraw/zinc/89/42/12/570894212.db2.gz KKEYQULHXLGGRT-VBQJREDUSA-N 1 0 354.947 3.979 50 0 FHAARO CN(Cc1ccco1)C(=O)c1ccc([C@H]2CCC[N@@H+]2C2CCOCC2)s1 ZINC000019595513 570895775 /nfs/dbraw/zinc/89/57/75/570895775.db2.gz FUBMMMZIRBGMBQ-QGZVFWFLSA-N 1 0 374.506 3.929 50 0 FHAARO CCC[N@@H+]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 ZINC000019690822 570898376 /nfs/dbraw/zinc/89/83/76/570898376.db2.gz PTDXTSJDRKXOKU-UHFFFAOYSA-N 1 0 357.504 3.878 50 0 FHAARO CCCc1cc(C[NH2+]C2CCN(c3cccc(-n4cccn4)c3)CC2)on1 ZINC000019781723 570902813 /nfs/dbraw/zinc/90/28/13/570902813.db2.gz RLHHUKSYOVCZGT-UHFFFAOYSA-N 1 0 365.481 3.571 50 0 FHAARO C[C@@H]1Cc2ccc(Br)cc2[C@@H]1[NH2+]CCCOC[C@H]1CCOC1 ZINC000108149059 570903698 /nfs/dbraw/zinc/90/36/98/570903698.db2.gz INOYTRZJPUSKDE-HBUWYVDXSA-N 1 0 368.315 3.715 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@H](c1cccc(C(=O)OC)c1)[NH2+]CC2 ZINC000019848568 570904807 /nfs/dbraw/zinc/90/48/07/570904807.db2.gz VWFUWNNXMVYIRQ-FQEVSTJZSA-N 1 0 355.434 3.506 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C(=O)OC)c1)[NH2+]CC2 ZINC000019848569 570905003 /nfs/dbraw/zinc/90/50/03/570905003.db2.gz VWFUWNNXMVYIRQ-HXUWFJFHSA-N 1 0 355.434 3.506 50 0 FHAARO C[C@H]1C[NH+](CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000020507298 570919141 /nfs/dbraw/zinc/91/91/41/570919141.db2.gz BHNRENOVHLLCMZ-QWRGUYRKSA-N 1 0 364.795 3.797 50 0 FHAARO Clc1ccc(Oc2cccc(C[N@H+]3CCc4nncn4CC3)c2)cc1 ZINC000020598934 570920445 /nfs/dbraw/zinc/92/04/45/570920445.db2.gz MFAATXUHCALPFQ-UHFFFAOYSA-N 1 0 354.841 3.782 50 0 FHAARO CCCCc1nn2c(nc(C[N@H+](CC)Cc3ccc(C)cc3)cc2=O)s1 ZINC000046032318 570920394 /nfs/dbraw/zinc/92/03/94/570920394.db2.gz HAFLOQOVGDGTTO-UHFFFAOYSA-N 1 0 370.522 3.824 50 0 FHAARO CCCOc1c(Br)cc(CNCCC[NH+](C)C)cc1OCC ZINC000020968184 570927091 /nfs/dbraw/zinc/92/70/91/570927091.db2.gz OLFJVJLDLMDZJZ-UHFFFAOYSA-N 1 0 373.335 3.678 50 0 FHAARO Fc1ccc2[nH]c(C3CC[NH+]([C@H]4COc5ccccc5C4)CC3)nc2c1 ZINC000020996876 570927105 /nfs/dbraw/zinc/92/71/05/570927105.db2.gz QVXRBQUBADZCEW-QGZVFWFLSA-N 1 0 351.425 3.885 50 0 FHAARO COCc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000072049042 570930467 /nfs/dbraw/zinc/93/04/67/570930467.db2.gz XEHINEZHXHPPKF-OAQYLSRUSA-N 1 0 352.478 3.708 50 0 FHAARO Cc1cccc(CNC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)c1 ZINC000021663465 570932375 /nfs/dbraw/zinc/93/23/75/570932375.db2.gz LWXXINLZEPPQBB-UHFFFAOYSA-N 1 0 369.534 3.898 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc3c(c(Cl)c2)OCO3)cc1 ZINC000021960164 570936432 /nfs/dbraw/zinc/93/64/32/570936432.db2.gz JKOXRKUZLYYPQH-UHFFFAOYSA-N 1 0 374.868 3.841 50 0 FHAARO C[C@@H](C[NH+]1CCC(C(=O)NCCc2ccccc2)CC1)c1ccccc1 ZINC000022241707 570941790 /nfs/dbraw/zinc/94/17/90/570941790.db2.gz REPPYUYWCDJQRN-IBGZPJMESA-N 1 0 350.506 3.861 50 0 FHAARO Cc1noc(C)c1CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000048311112 570943834 /nfs/dbraw/zinc/94/38/34/570943834.db2.gz LAXRRWSRNZJTBO-HOTGVXAUSA-N 1 0 369.509 3.628 50 0 FHAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000022800206 570949978 /nfs/dbraw/zinc/94/99/78/570949978.db2.gz MWXLFVMZSCMTSG-PKOBYXMFSA-N 1 0 355.482 3.814 50 0 FHAARO CC[NH+](CC)CCN1Cn2c3ccccc3nc2N(Cc2ccccc2)C1 ZINC000022877282 570951786 /nfs/dbraw/zinc/95/17/86/570951786.db2.gz QSSIFXZZVBWWER-UHFFFAOYSA-N 1 0 363.509 3.615 50 0 FHAARO OCC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@@H+]1C1CCCC1 ZINC000022932785 570953165 /nfs/dbraw/zinc/95/31/65/570953165.db2.gz MIWXAAFGUJKRLL-IBGZPJMESA-N 1 0 371.550 3.621 50 0 FHAARO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744678 570958929 /nfs/dbraw/zinc/95/89/29/570958929.db2.gz ATTFGEVIQBJTJT-AWEZNQCLSA-N 1 0 358.869 3.848 50 0 FHAARO CC(C)(C)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000112697072 570960220 /nfs/dbraw/zinc/96/02/20/570960220.db2.gz FNWWINJOFXTTGA-UHFFFAOYSA-N 1 0 368.319 3.931 50 0 FHAARO O=C(NCCNc1cccnc1)c1ccc([C@@H]2CCC[N@@H+]2C2CCC2)s1 ZINC000023398061 570963177 /nfs/dbraw/zinc/96/31/77/570963177.db2.gz AOORYBWMNKZYDR-KRWDZBQOSA-N 1 0 370.522 3.674 50 0 FHAARO CC1CC[NH+]([C@@H](CNC(=O)c2[nH]nc3ccccc32)c2cccs2)CC1 ZINC000025139567 570991348 /nfs/dbraw/zinc/99/13/48/570991348.db2.gz JZWTXJIDBXMJMB-KRWDZBQOSA-N 1 0 368.506 3.827 50 0 FHAARO COc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025946766 571001588 /nfs/dbraw/zinc/00/15/88/571001588.db2.gz UQHGMHLDMXAZBH-UHFFFAOYSA-N 1 0 366.461 3.619 50 0 FHAARO Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1C ZINC000027582266 571014677 /nfs/dbraw/zinc/01/46/77/571014677.db2.gz MRHTUYMPHOKXAI-KRWDZBQOSA-N 1 0 358.507 3.697 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000027583949 571015274 /nfs/dbraw/zinc/01/52/74/571015274.db2.gz LKUWRPIOWKLLTF-OAQYLSRUSA-N 1 0 352.478 3.717 50 0 FHAARO O=C(COc1cccc(Cl)c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027664241 571018163 /nfs/dbraw/zinc/01/81/63/571018163.db2.gz PEBTYZULZMLRFW-MRXNPFEDSA-N 1 0 364.898 3.734 50 0 FHAARO COc1ccc([C@H](CNC(=O)Cc2ccccc2)[NH+]2CCCCCC2)cc1 ZINC000027793783 571021738 /nfs/dbraw/zinc/02/17/38/571021738.db2.gz PNCCWXWMKIAPOP-QFIPXVFZSA-N 1 0 366.505 3.971 50 0 FHAARO CCOc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000028288164 571029134 /nfs/dbraw/zinc/02/91/34/571029134.db2.gz PGAXLKDMKJLVEC-OAQYLSRUSA-N 1 0 368.477 3.661 50 0 FHAARO CC[C@H]1CCN(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)[C@@H]1C ZINC000225407336 571033640 /nfs/dbraw/zinc/03/36/40/571033640.db2.gz NAEYBSNWYFKLSF-OLZOCXBDSA-N 1 0 352.862 3.560 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)[nH]n2)s1 ZINC000028833030 571035230 /nfs/dbraw/zinc/03/52/30/571035230.db2.gz AWWKIRAIKITMMO-INIZCTEOSA-N 1 0 370.478 3.607 50 0 FHAARO CCCOC(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029484396 571040301 /nfs/dbraw/zinc/04/03/01/571040301.db2.gz AMDVXFUZDIJTNN-FQEVSTJZSA-N 1 0 366.461 3.811 50 0 FHAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc(C(F)(F)F)n2)C1 ZINC000225581800 571047121 /nfs/dbraw/zinc/04/71/21/571047121.db2.gz QDNBQLPKKXMXLB-NSHDSACASA-N 1 0 363.449 3.792 50 0 FHAARO C[C@@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]CC1(N(C)C)CCCCC1 ZINC000038709180 571049322 /nfs/dbraw/zinc/04/93/22/571049322.db2.gz PGJAVWOIMLKVJE-HNNXBMFYSA-N 1 0 351.922 3.911 50 0 FHAARO CCOc1ccc(OCc2ccc(C(=O)OCC[NH+]3CCCCC3)o2)cc1 ZINC000004124697 571049317 /nfs/dbraw/zinc/04/93/17/571049317.db2.gz ZEARTHORBJGULD-UHFFFAOYSA-N 1 0 373.449 3.900 50 0 FHAARO Cn1cncc1CCC(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000225617165 571049848 /nfs/dbraw/zinc/04/98/48/571049848.db2.gz NVILYYBHYQWKBQ-UHFFFAOYSA-N 1 0 364.833 3.907 50 0 FHAARO CC[NH+]1CCC(CCNC(=O)c2cccnc2SC2CCCC2)CC1 ZINC000072297557 571054539 /nfs/dbraw/zinc/05/45/39/571054539.db2.gz SEDSJSGIULMXKU-UHFFFAOYSA-N 1 0 361.555 3.968 50 0 FHAARO C[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000083877783 571055776 /nfs/dbraw/zinc/05/57/76/571055776.db2.gz VPWFJEPOCHKNTP-NSHDSACASA-N 1 0 369.309 3.940 50 0 FHAARO CN1CCN(C(=O)c2ccc(Br)s2)[C@H](c2ccccc2)C1 ZINC000030029252 571059624 /nfs/dbraw/zinc/05/96/24/571059624.db2.gz YTQMSRKTWWQDHP-ZDUSSCGKSA-N 1 0 365.296 3.640 50 0 FHAARO Cc1c2cccc(C)c2oc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053083753 571063804 /nfs/dbraw/zinc/06/38/04/571063804.db2.gz XWVJWUSGMXYNJV-UHFFFAOYSA-N 1 0 363.461 3.839 50 0 FHAARO CN1CC[NH+](CCCCOc2ccc(Cl)cc2Br)CC1 ZINC000039425371 571064269 /nfs/dbraw/zinc/06/42/69/571064269.db2.gz WPANQFYUJWJZIC-UHFFFAOYSA-N 1 0 361.711 3.509 50 0 FHAARO COc1cc(C[NH2+]Cc2csc(Br)c2)cc(OC)c1OC ZINC000030545891 571064502 /nfs/dbraw/zinc/06/45/02/571064502.db2.gz ZLMPNQOYCOYOMM-UHFFFAOYSA-N 1 0 372.284 3.826 50 0 FHAARO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000072308817 571066647 /nfs/dbraw/zinc/06/66/47/571066647.db2.gz ZTWSFFSBFYQQQV-LSDHHAIUSA-N 1 0 371.447 3.696 50 0 FHAARO C[NH+](C)CC[C@H](OC(=O)C[C@H]1OCCc2ccccc21)c1cccs1 ZINC000072310680 571070651 /nfs/dbraw/zinc/07/06/51/571070651.db2.gz CSCMAFRASXYRKC-ZWKOTPCHSA-N 1 0 359.491 3.988 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc12 ZINC000022023245 571071109 /nfs/dbraw/zinc/07/11/09/571071109.db2.gz GSPMPKVFSOQYBZ-AEFFLSMTSA-N 1 0 360.457 3.629 50 0 FHAARO COc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1OC ZINC000244817064 571074963 /nfs/dbraw/zinc/07/49/63/571074963.db2.gz STTKBBNUQHXQAG-UGKGYDQZSA-N 1 0 358.526 3.933 50 0 FHAARO O=C(CCN1CCC[C@@H]([NH2+]Cc2ccccc2)C1)Nc1ccccc1Cl ZINC000084539307 571088280 /nfs/dbraw/zinc/08/82/80/571088280.db2.gz RNBGUSIGUDCJLR-GOSISDBHSA-N 1 0 371.912 3.923 50 0 FHAARO CC[C@@H](C)C(=O)NCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000040158138 571088579 /nfs/dbraw/zinc/08/85/79/571088579.db2.gz LJISGTCJRJJPCB-MRXNPFEDSA-N 1 0 359.514 3.552 50 0 FHAARO COc1ccc(COC[C@@H](O)C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)cc1 ZINC000040160720 571089864 /nfs/dbraw/zinc/08/98/64/571089864.db2.gz WDTSVCNVMNPGFD-GCJKJVERSA-N 1 0 369.505 3.873 50 0 FHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(-n3nc(C)cc3C)c2)[C@@H](C)C1 ZINC000229890585 571095613 /nfs/dbraw/zinc/09/56/13/571095613.db2.gz VAULPUZGMTZBRF-YWZLYKJASA-N 1 0 369.513 3.683 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1)c1cccs1 ZINC000012778330 571097302 /nfs/dbraw/zinc/09/73/02/571097302.db2.gz ZEUPNZNLRSIGTB-AWEZNQCLSA-N 1 0 354.928 3.913 50 0 FHAARO CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 ZINC000245380731 571097772 /nfs/dbraw/zinc/09/77/72/571097772.db2.gz IZROUTVHUSDGCV-RTWAWAEBSA-N 1 0 372.534 3.798 50 0 FHAARO C[N@H+](C[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1)C1CCCC1 ZINC000012783140 571099436 /nfs/dbraw/zinc/09/94/36/571099436.db2.gz MERKDHPZGMIWHP-FQEVSTJZSA-N 1 0 353.462 3.532 50 0 FHAARO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCCc3occc32)c1 ZINC000119383637 571101235 /nfs/dbraw/zinc/10/12/35/571101235.db2.gz PLXJDOLCQKRJOQ-BBRMVZONSA-N 1 0 358.438 3.681 50 0 FHAARO Cc1ccc(F)c(NC(=O)CN2CCC(c3nccn3C(C)C)CC2)c1 ZINC000240228141 571108904 /nfs/dbraw/zinc/10/89/04/571108904.db2.gz KGQSNOFRDCORFB-UHFFFAOYSA-N 1 0 358.461 3.730 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccc3ccccc32)s1 ZINC000015732312 571112150 /nfs/dbraw/zinc/11/21/50/571112150.db2.gz KVRGAKSOTZGEFE-MRXNPFEDSA-N 1 0 353.491 3.906 50 0 FHAARO C[N@@H+](CCC(=O)Nc1ccc(F)cc1F)CCn1ccc2ccccc21 ZINC000243956733 571113117 /nfs/dbraw/zinc/11/31/17/571113117.db2.gz CCYGLXYSIPJAQP-UHFFFAOYSA-N 1 0 357.404 3.880 50 0 FHAARO O=C(CC[NH+]1CCC([C@H](O)c2ccccn2)CC1)Nc1cccc(Cl)c1 ZINC000243919580 571113199 /nfs/dbraw/zinc/11/31/99/571113199.db2.gz BPFNOYMXZZHYKG-FQEVSTJZSA-N 1 0 373.884 3.509 50 0 FHAARO c1ccc(C(c2ccccc2)N2CC[NH+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000244708189 571114705 /nfs/dbraw/zinc/11/47/05/571114705.db2.gz KPGRZOODFOHCRQ-FQEVSTJZSA-N 1 0 350.506 3.820 50 0 FHAARO C[C@H](c1ccc(C(=O)N(C)CCOc2ccccc2)o1)[NH+]1CCCCC1 ZINC000055036014 571115209 /nfs/dbraw/zinc/11/52/09/571115209.db2.gz JGLAEEMDTAKXFY-QGZVFWFLSA-N 1 0 356.466 3.978 50 0 FHAARO Cc1ccccc1C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012814429 571115531 /nfs/dbraw/zinc/11/55/31/571115531.db2.gz KACROCBCDWKGQL-UHFFFAOYSA-N 1 0 351.446 3.861 50 0 FHAARO CCc1oc(C(=O)N(C)[C@H]2CCOC(C)(C)C2)cc1C[NH+](CC)CC ZINC000055054185 571115754 /nfs/dbraw/zinc/11/57/54/571115754.db2.gz FWHGPLFUAAHPJM-INIZCTEOSA-N 1 0 350.503 3.713 50 0 FHAARO CSc1cccc(CN(C)c2cc([C@H]3C[C@@H]([NH3+])C3)nc(C3CC3)n2)c1 ZINC000244787885 571116483 /nfs/dbraw/zinc/11/64/83/571116483.db2.gz QFPHAEMDQYXDQU-IYBDPMFKSA-N 1 0 354.523 3.917 50 0 FHAARO NC(=O)COc1cccc(C[N@H+](Cc2cccnc2)C2CCCCCC2)c1 ZINC000055100487 571116519 /nfs/dbraw/zinc/11/65/19/571116519.db2.gz RSGHEJNSTAJYMH-UHFFFAOYSA-N 1 0 367.493 3.671 50 0 FHAARO CC[N@H+](CCc1nc2cc(F)ccc2[nH]1)Cc1cc(-c2ccncc2)no1 ZINC000244852534 571117821 /nfs/dbraw/zinc/11/78/21/571117821.db2.gz UUBYYJQASGEEKJ-UHFFFAOYSA-N 1 0 365.412 3.817 50 0 FHAARO CC[C@@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1cc(Cl)c(O)c(OC)c1 ZINC000055199950 571118014 /nfs/dbraw/zinc/11/80/14/571118014.db2.gz XESZHCIXLBJKTO-INIZCTEOSA-N 1 0 367.848 3.966 50 0 FHAARO Cc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C1CC[NH2+]CC1 ZINC000015772706 571119389 /nfs/dbraw/zinc/11/93/89/571119389.db2.gz ADXZDCTZLRJFBM-UHFFFAOYSA-N 1 0 360.461 3.900 50 0 FHAARO CCC1=NO[C@@H](C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000244884365 571119354 /nfs/dbraw/zinc/11/93/54/571119354.db2.gz YLDOUDHZELWGQZ-MRXNPFEDSA-N 1 0 356.388 3.544 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@]2(c3ccc(F)cc3)CCOC2)cc1 ZINC000055326790 571119493 /nfs/dbraw/zinc/11/94/93/571119493.db2.gz BQLSEIMXRMOBMI-NRFANRHFSA-N 1 0 369.415 3.803 50 0 FHAARO Cc1ccc(NC(=O)CC[N@@H+](C)Cc2cnc3ccccc3n2)cc1F ZINC000244899359 571119729 /nfs/dbraw/zinc/11/97/29/571119729.db2.gz ZIMMNRKPAONGNR-UHFFFAOYSA-N 1 0 352.413 3.538 50 0 FHAARO Clc1snnc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000058051832 571124731 /nfs/dbraw/zinc/12/47/31/571124731.db2.gz YYHKWMJQFZNOKC-UHFFFAOYSA-N 1 0 358.898 3.663 50 0 FHAARO C[N@@H+]1CC[C@H](NC(=O)NCc2nc(C(C)(C)C)cs2)[C@H]1c1ccccc1 ZINC000179152908 571124842 /nfs/dbraw/zinc/12/48/42/571124842.db2.gz VXIBVZVHNSXEGO-MAUKXSAKSA-N 1 0 372.538 3.685 50 0 FHAARO CC(C)CC[N@@H+]1CCN(Cc2cccc(C(F)(F)F)c2)C[C@H]1CCO ZINC000104344815 571126221 /nfs/dbraw/zinc/12/62/21/571126221.db2.gz GYJJSBIQDUTZSX-GOSISDBHSA-N 1 0 358.448 3.620 50 0 FHAARO CCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000247999092 571126897 /nfs/dbraw/zinc/12/68/97/571126897.db2.gz NFFAHQOHPZSEDU-KRWDZBQOSA-N 1 0 356.514 3.698 50 0 FHAARO Cc1cc(C)n(C[C@@H](C)C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)n1 ZINC000058171310 571126921 /nfs/dbraw/zinc/12/69/21/571126921.db2.gz AFHMNUOCYFHADK-ZDUSSCGKSA-N 1 0 363.889 3.741 50 0 FHAARO Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)c1 ZINC000248086697 571127577 /nfs/dbraw/zinc/12/75/77/571127577.db2.gz SCMLTKGLZQYQHD-QGZVFWFLSA-N 1 0 362.477 3.732 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccco1 ZINC000058193165 571128058 /nfs/dbraw/zinc/12/80/58/571128058.db2.gz KZUGGDHZVNRZIU-SFHVURJKSA-N 1 0 367.449 3.676 50 0 FHAARO CC(C)(CO)[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248156587 571128223 /nfs/dbraw/zinc/12/82/23/571128223.db2.gz IXBOGMBSXUSGMF-UHFFFAOYSA-N 1 0 370.884 3.507 50 0 FHAARO CC(=O)Nc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 ZINC000058195482 571128482 /nfs/dbraw/zinc/12/84/82/571128482.db2.gz SPMFJIKRJAKNLQ-MRXNPFEDSA-N 1 0 359.420 3.539 50 0 FHAARO c1sc(-c2ncccn2)nc1CNC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000058202261 571128714 /nfs/dbraw/zinc/12/87/14/571128714.db2.gz ROYDEGSGUNEGBK-SFHVURJKSA-N 1 0 365.506 3.527 50 0 FHAARO O=C(c1csc(-c2ccccc2)n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058209368 571129068 /nfs/dbraw/zinc/12/90/68/571129068.db2.gz ZDDPPDFZBFCCFH-UHFFFAOYSA-N 1 0 355.507 3.901 50 0 FHAARO COc1ccc(-c2cc(NCCN3CCOCC3)c3ccccc3[nH+]2)cc1 ZINC000004542896 571131697 /nfs/dbraw/zinc/13/16/97/571131697.db2.gz LBLDTKUXWPRTDL-UHFFFAOYSA-N 1 0 363.461 3.655 50 0 FHAARO O=C(NC1CCCCC1)C1CC[NH+](CCCc2nc3ccccc3o2)CC1 ZINC000058393045 571131954 /nfs/dbraw/zinc/13/19/54/571131954.db2.gz SLJMXGQRZRLRGY-UHFFFAOYSA-N 1 0 369.509 3.921 50 0 FHAARO COCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000015862274 571138412 /nfs/dbraw/zinc/13/84/12/571138412.db2.gz GGPFZAYYUFFMFT-UHFFFAOYSA-N 1 0 368.452 3.933 50 0 FHAARO COc1ccc(C[N@H+](C)Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1OC ZINC000015862330 571138813 /nfs/dbraw/zinc/13/88/13/571138813.db2.gz GKSAJEQOXBUYSM-UHFFFAOYSA-N 1 0 366.461 3.794 50 0 FHAARO O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1C=CC[NH2+]1 ZINC000063833778 571140266 /nfs/dbraw/zinc/14/02/66/571140266.db2.gz TYBXOEKLHZHNOH-FMAYLGMYSA-N 1 0 357.413 3.577 50 0 FHAARO Cc1ccc(-c2c(-c3ccccc3)ncn2CCC[NH+]2CCOCC2)o1 ZINC000065431310 571143483 /nfs/dbraw/zinc/14/34/83/571143483.db2.gz LQYDGRYMCWIPKL-UHFFFAOYSA-N 1 0 351.450 3.841 50 0 FHAARO COc1c(C)cc(NC(=O)c2ccc(C[NH+]3CCC(O)CC3)cc2)cc1C ZINC000065455122 571143655 /nfs/dbraw/zinc/14/36/55/571143655.db2.gz JSEVEYMMXOBGAQ-UHFFFAOYSA-N 1 0 368.477 3.521 50 0 FHAARO CCc1nn(C)c(NC(=O)c2cccc(C[N@@H+]3CCC[C@H]3C)c2)c1CC ZINC000065467731 571143806 /nfs/dbraw/zinc/14/38/06/571143806.db2.gz IFKDHGJZRBYOLS-OAHLLOKOSA-N 1 0 354.498 3.782 50 0 FHAARO COC(=O)c1cc(Nc2cc(C)c3c(O)cccc3n2)cc(C(=O)OC)c1 ZINC000015961136 571147311 /nfs/dbraw/zinc/14/73/11/571147311.db2.gz IVWCXDWNFQBKLF-UHFFFAOYSA-N 1 0 366.373 3.566 50 0 FHAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3cnc4c(-c5ccccc5)cnn4c3)C2)n1 ZINC000067674231 571148122 /nfs/dbraw/zinc/14/81/22/571148122.db2.gz LMEJLIQOFPWINX-HXUWFJFHSA-N 1 0 372.476 3.657 50 0 FHAARO COc1ccc(C[NH2+]C2CCCC2)cc1-c1ccc(S(C)(=O)=O)cc1 ZINC000067673406 571148216 /nfs/dbraw/zinc/14/82/16/571148216.db2.gz ZSYXUMKATBMNQD-UHFFFAOYSA-N 1 0 359.491 3.798 50 0 FHAARO Cc1ncc2c(c1-c1noc([C@H](C)Oc3cccc(Cl)c3)n1)CC[NH2+]C2 ZINC000067714161 571148442 /nfs/dbraw/zinc/14/84/42/571148442.db2.gz AUQWKOISIHFNSP-LBPRGKRZSA-N 1 0 370.840 3.879 50 0 FHAARO CC(C)(C)n1cc(C2=CC[N@H+](CCc3nc4cc(F)ccc4[nH]3)CC2)cn1 ZINC000067696741 571148520 /nfs/dbraw/zinc/14/85/20/571148520.db2.gz ZQQNCJOYTOIHMD-UHFFFAOYSA-N 1 0 367.472 3.985 50 0 FHAARO Cc1ccc(-c2cc(O)c3c(c2)CN(CC[NH+]2CCCC2)CCO3)s1 ZINC000067804851 571149642 /nfs/dbraw/zinc/14/96/42/571149642.db2.gz QSVZPJSCMLZBKG-UHFFFAOYSA-N 1 0 358.507 3.719 50 0 FHAARO O=C(CC[N@@H+]1CCc2onc(-c3cccc4ccccc43)c2C1)NC1CC1 ZINC000067805586 571149774 /nfs/dbraw/zinc/14/97/74/571149774.db2.gz CTSZEHVSHGJJNC-UHFFFAOYSA-N 1 0 361.445 3.522 50 0 FHAARO O=C(c1cccs1)N1CCC([NH2+]CCOc2ccccc2Cl)CC1 ZINC000067895919 571151535 /nfs/dbraw/zinc/15/15/35/571151535.db2.gz QBOFAFRDMQRROV-UHFFFAOYSA-N 1 0 364.898 3.675 50 0 FHAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2-n2cccn2)C1 ZINC000067909344 571151798 /nfs/dbraw/zinc/15/17/98/571151798.db2.gz CTNCOPSEZQFCMY-QGZVFWFLSA-N 1 0 365.481 3.546 50 0 FHAARO O=C(Nc1ccnn1C1CC[NH+](CCCF)CC1)c1ccccc1Cl ZINC000067934156 571151832 /nfs/dbraw/zinc/15/18/32/571151832.db2.gz YVMLRFARNNEVHQ-UHFFFAOYSA-N 1 0 364.852 3.785 50 0 FHAARO Cc1cc(C)cc(N2CCC([NH2+]C[C@H]3CC(=O)N(C4CCCC4)C3)CC2)c1 ZINC000067934996 571152087 /nfs/dbraw/zinc/15/20/87/571152087.db2.gz BVTIYIIFIMWOOS-LJQANCHMSA-N 1 0 369.553 3.653 50 0 FHAARO COc1cc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc(OC)c1 ZINC000026312750 571160894 /nfs/dbraw/zinc/16/08/94/571160894.db2.gz ZIMCMFXIFSDIDA-OAQYLSRUSA-N 1 0 357.450 3.962 50 0 FHAARO O=C(c1ccc2cc[nH]c2c1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071661877 571163283 /nfs/dbraw/zinc/16/32/83/571163283.db2.gz FMCLAERVUSQTMA-MDNUFGMLSA-N 1 0 371.484 3.870 50 0 FHAARO CC[NH+](CC)CCC(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000071712092 571163475 /nfs/dbraw/zinc/16/34/75/571163475.db2.gz ORDJVFDNPUJKKB-QGZVFWFLSA-N 1 0 352.469 3.868 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CCC[N@@H+]1CC1CC1 ZINC000071708092 571163555 /nfs/dbraw/zinc/16/35/55/571163555.db2.gz SGBQXGGOZJVWLC-NRFANRHFSA-N 1 0 366.509 3.659 50 0 FHAARO COc1ccc2cc([C@H]3C[N@H+](CCCn4ccnc4)CCO3)ccc2c1 ZINC000071721561 571164017 /nfs/dbraw/zinc/16/40/17/571164017.db2.gz YAFYMOLLAXNPED-OAQYLSRUSA-N 1 0 351.450 3.509 50 0 FHAARO COc1ccc2cc([C@H]3C[N@H+](CCCn4cc(C)cn4)CCO3)ccc2c1 ZINC000071747017 571164313 /nfs/dbraw/zinc/16/43/13/571164313.db2.gz HFZQKNADGSOXCW-JOCHJYFZSA-N 1 0 365.477 3.817 50 0 FHAARO Cc1cccnc1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071747487 571164388 /nfs/dbraw/zinc/16/43/88/571164388.db2.gz NGZZVXXHVLVMSV-OAQYLSRUSA-N 1 0 369.484 3.788 50 0 FHAARO CCn1nc(C(C)C)cc1C(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071748601 571164682 /nfs/dbraw/zinc/16/46/82/571164682.db2.gz LWQLNRNYIOAERB-FQEVSTJZSA-N 1 0 360.546 3.609 50 0 FHAARO CC(C)[C@H]1CCC[N@H+](Cc2c(C(=O)N(C)C)nc3ccc(Cl)cn32)C1 ZINC000071767935 571166104 /nfs/dbraw/zinc/16/61/04/571166104.db2.gz IIHVCPQRGSXQIE-AWEZNQCLSA-N 1 0 362.905 3.558 50 0 FHAARO CC(C)[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CCC(=O)N1CC1CC1 ZINC000071770951 571166281 /nfs/dbraw/zinc/16/62/81/571166281.db2.gz HFLLLABCWXIAIA-OAQYLSRUSA-N 1 0 351.494 3.704 50 0 FHAARO COc1cccc(O[C@H]2CC[N@H+](CCCC(=O)c3ccc(F)cc3)C2)c1 ZINC000071769304 571166328 /nfs/dbraw/zinc/16/63/28/571166328.db2.gz BOYHRGVIIMUTCP-FQEVSTJZSA-N 1 0 357.425 3.951 50 0 FHAARO c1ccc([C@@H]2CN(c3cnc4ccccc4n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072121655 571170029 /nfs/dbraw/zinc/17/00/29/571170029.db2.gz HYZZXFDUXLKFGB-CDNPAEQRSA-N 1 0 356.473 3.696 50 0 FHAARO c1coc([C@H](CNc2nc(C3CCCC3)nc3c2CNC3)[NH+]2CCCC2)c1 ZINC000072125353 571170343 /nfs/dbraw/zinc/17/03/43/571170343.db2.gz QYTWJHIVXXNEOZ-SFHVURJKSA-N 1 0 367.497 3.579 50 0 FHAARO Cc1nc([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)cc(=O)[nH]1 ZINC000072129684 571170667 /nfs/dbraw/zinc/17/06/67/571170667.db2.gz HGHKFVFHVMLLOC-INIZCTEOSA-N 1 0 366.490 3.581 50 0 FHAARO Clc1nc(N2CCCC2)sc1C[N@@H+]1CCC[C@H](Cn2ccnc2)C1 ZINC000072130950 571170949 /nfs/dbraw/zinc/17/09/49/571170949.db2.gz GYSYTPRKIQYNNH-AWEZNQCLSA-N 1 0 365.934 3.505 50 0 FHAARO O=C(CC[N@H+]1CCC[C@@H](CCc2ccc(F)c(F)c2)C1)N1CCCC1 ZINC000072131735 571170997 /nfs/dbraw/zinc/17/09/97/571170997.db2.gz DNQFUEYXGSOSGJ-KRWDZBQOSA-N 1 0 350.453 3.622 50 0 FHAARO C[N@H+](Cc1cc(-c2ccncc2)no1)C[C@]1(c2ccc(F)cc2)CCOC1 ZINC000072134280 571171340 /nfs/dbraw/zinc/17/13/40/571171340.db2.gz IIGMEANEMKBERI-OAQYLSRUSA-N 1 0 367.424 3.666 50 0 FHAARO COc1c[nH]c(C[N@@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)cc1=O ZINC000072133703 571171426 /nfs/dbraw/zinc/17/14/26/571171426.db2.gz XMXUKTOPTLAFAZ-OAHLLOKOSA-N 1 0 362.420 3.919 50 0 FHAARO O=C(C[N@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1)NC1CC1 ZINC000072143326 571172237 /nfs/dbraw/zinc/17/22/37/571172237.db2.gz PFCBUDMFRGTBEN-AWEZNQCLSA-N 1 0 354.416 3.629 50 0 FHAARO Cc1ccc2nc(-c3cccnc3)cc(C(=O)N[C@H]3CC[C@H]3[NH2+]C(C)C)c2c1 ZINC000072154112 571174739 /nfs/dbraw/zinc/17/47/39/571174739.db2.gz BHDQJYZNKWEGTP-RTWAWAEBSA-N 1 0 374.488 3.864 50 0 FHAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(-c3ccccn3)no2)CC1 ZINC000072156966 571175010 /nfs/dbraw/zinc/17/50/10/571175010.db2.gz PBMFUDWMANOWHZ-UHFFFAOYSA-N 1 0 361.445 3.859 50 0 FHAARO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)cc(=O)[nH]1 ZINC000072157293 571175410 /nfs/dbraw/zinc/17/54/10/571175410.db2.gz FSJICZOSDZIJPK-IBGZPJMESA-N 1 0 360.461 3.520 50 0 FHAARO Cc1ccccc1C[NH+]1CCN(Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000072170051 571177468 /nfs/dbraw/zinc/17/74/68/571177468.db2.gz KYXOWIRPTVOHRF-UHFFFAOYSA-N 1 0 364.468 3.842 50 0 FHAARO CC(C)(Nc1ccccc1)C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072169911 571177477 /nfs/dbraw/zinc/17/74/77/571177477.db2.gz CKUZXWCLSFSXTN-OAQYLSRUSA-N 1 0 365.521 3.700 50 0 FHAARO Cc1cccc(OCCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000003351186 571181512 /nfs/dbraw/zinc/18/15/12/571181512.db2.gz YKPVJEFRIBUFFX-IBGZPJMESA-N 1 0 356.466 3.700 50 0 FHAARO COc1cc(/C=C/C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)ccc1OC(C)C ZINC000040108081 571185862 /nfs/dbraw/zinc/18/58/62/571185862.db2.gz ANBTXLIBMLDORQ-SXAWMYDMSA-N 1 0 374.525 3.734 50 0 FHAARO CCCc1ncc(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000072407273 571191184 /nfs/dbraw/zinc/19/11/84/571191184.db2.gz GZPDZDKDLIDBCN-UHFFFAOYSA-N 1 0 354.542 3.516 50 0 FHAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@@H+]3CCC[C@@H]3C(N)=O)cc2c1 ZINC000072408556 571191295 /nfs/dbraw/zinc/19/12/95/571191295.db2.gz MOHUEYMXJUENCE-HXUWFJFHSA-N 1 0 363.436 3.799 50 0 FHAARO COC[C@H](C)[N@H+](Cc1cn(C)nc1C)Cc1ccc(OC)c2ccccc12 ZINC000299755562 571192149 /nfs/dbraw/zinc/19/21/49/571192149.db2.gz BKBZMVOYPZTLPU-INIZCTEOSA-N 1 0 367.493 3.927 50 0 FHAARO CCCC[N@@H+]1CCn2nc(CNc3cc(C(F)(F)F)cc(C)n3)cc2C1 ZINC000299756782 571192206 /nfs/dbraw/zinc/19/22/06/571192206.db2.gz GXGYWLAVRQZMMS-UHFFFAOYSA-N 1 0 367.419 3.833 50 0 FHAARO C[C@H](CCn1ccnc1-c1cc(Cl)ccc1Cl)[NH+]1CCN(C)CC1 ZINC000072426077 571194447 /nfs/dbraw/zinc/19/44/47/571194447.db2.gz UAVHHNKASIIYOE-CQSZACIVSA-N 1 0 367.324 3.883 50 0 FHAARO Cc1ncc2c(c1CNC(=O)[C@@H](c1ccccc1)C1CCCC1)CC[NH2+]C2 ZINC000072426128 571194565 /nfs/dbraw/zinc/19/45/65/571194565.db2.gz DRRFEYGNVHUKIK-QFIPXVFZSA-N 1 0 363.505 3.626 50 0 FHAARO C[N@@H+]1CCC[C@H]1CCNc1ccc(-c2nc(-c3ccccc3F)no2)cn1 ZINC000072426540 571194582 /nfs/dbraw/zinc/19/45/82/571194582.db2.gz ODOBMYVFFSMXMD-HNNXBMFYSA-N 1 0 367.428 3.834 50 0 FHAARO c1coc(-c2ncc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)cn2)c1 ZINC000072430570 571195495 /nfs/dbraw/zinc/19/54/95/571195495.db2.gz KVBLXNMDQUCIPR-MRXNPFEDSA-N 1 0 359.433 3.993 50 0 FHAARO O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000299771865 571196047 /nfs/dbraw/zinc/19/60/47/571196047.db2.gz WQQOOLGVXPUJGU-SFHVURJKSA-N 1 0 354.454 3.824 50 0 FHAARO Cc1nc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)sc1C ZINC000299777801 571197055 /nfs/dbraw/zinc/19/70/55/571197055.db2.gz LCZRNEATLPFIQR-OTWHNJEPSA-N 1 0 369.534 3.644 50 0 FHAARO Cc1cccc2cc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c(-c3cccs3)nc12 ZINC000072447308 571197047 /nfs/dbraw/zinc/19/70/47/571197047.db2.gz AQIDBYPVDGKJMY-MRXNPFEDSA-N 1 0 365.502 3.969 50 0 FHAARO COc1ccccc1Oc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000299779359 571197638 /nfs/dbraw/zinc/19/76/38/571197638.db2.gz RMNOEOHOUQDKDT-MRXNPFEDSA-N 1 0 367.449 3.799 50 0 FHAARO CCc1cc(N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n2nccc2n1 ZINC000072458954 571197937 /nfs/dbraw/zinc/19/79/37/571197937.db2.gz XCCMMZVVCPUIMN-GOSISDBHSA-N 1 0 353.445 3.507 50 0 FHAARO Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)s2)cc1 ZINC000092070958 571198084 /nfs/dbraw/zinc/19/80/84/571198084.db2.gz GQPFPUUCNVGLBL-MRXNPFEDSA-N 1 0 353.495 3.622 50 0 FHAARO CN(CCC[NH+]1CCCCCC1)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072475614 571198874 /nfs/dbraw/zinc/19/88/74/571198874.db2.gz GXQCBLWQYMWZCD-UHFFFAOYSA-N 1 0 360.542 3.728 50 0 FHAARO COc1ccc2[nH]c(C[N@H+]3CC[C@]4(OC)CC[C@H](OC)C[C@H]34)c(C)c2c1 ZINC000299789492 571200445 /nfs/dbraw/zinc/20/04/45/571200445.db2.gz VVPVISRLWXVQEP-ORYQWCPZSA-N 1 0 358.482 3.643 50 0 FHAARO C[NH+]1CCC2(CCN(C(=O)Nc3ccccc3Oc3cccnc3)C2)CC1 ZINC000299791457 571200990 /nfs/dbraw/zinc/20/09/90/571200990.db2.gz FVSIXJDRVRNOCB-UHFFFAOYSA-N 1 0 366.465 3.824 50 0 FHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000022335366 571201621 /nfs/dbraw/zinc/20/16/21/571201621.db2.gz ANFDYBVPKDZCBI-HNNXBMFYSA-N 1 0 359.470 3.591 50 0 FHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)noc1-c1ccccc1OC ZINC000022351288 571201789 /nfs/dbraw/zinc/20/17/89/571201789.db2.gz UAENAJKCMOXFBJ-OAHLLOKOSA-N 1 0 373.497 3.899 50 0 FHAARO CC(C)c1nc(CNC(=O)c2ccc(Cl)cc2OCCC[NH3+])cs1 ZINC000299797857 571202788 /nfs/dbraw/zinc/20/27/88/571202788.db2.gz QQLJREOLMFCURI-UHFFFAOYSA-N 1 0 367.902 3.578 50 0 FHAARO Cc1cc(C[NH+]2CCCC2)cc(-c2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000534590249 571205674 /nfs/dbraw/zinc/20/56/74/571205674.db2.gz HRVFFNBQEDIINE-UHFFFAOYSA-N 1 0 364.489 3.730 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cnc3ccccn23)cc1 ZINC000077297989 571206573 /nfs/dbraw/zinc/20/65/73/571206573.db2.gz LBUSBKAXIOVPIF-LJQANCHMSA-N 1 0 362.477 3.763 50 0 FHAARO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](C)Cc3cc(-c4cccnc4)no3)cc2c1 ZINC000077300377 571206764 /nfs/dbraw/zinc/20/67/64/571206764.db2.gz VVTHTKBBGRMESL-UHFFFAOYSA-N 1 0 374.444 3.827 50 0 FHAARO C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000534633550 571206995 /nfs/dbraw/zinc/20/69/95/571206995.db2.gz CIXLAQRKEHCTEE-MRXNPFEDSA-N 1 0 369.513 3.654 50 0 FHAARO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3cccc4ccnn43)cc1)C2 ZINC000534637775 571207244 /nfs/dbraw/zinc/20/72/44/571207244.db2.gz IEWISMOIGMIAQC-HSZRJFAPSA-N 1 0 374.488 3.559 50 0 FHAARO COCc1ccc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)o1 ZINC000077339343 571207822 /nfs/dbraw/zinc/20/78/22/571207822.db2.gz DQSHTMDBJOEYAF-IBGZPJMESA-N 1 0 356.466 3.855 50 0 FHAARO COCCCN1C[C@@]2(CCC[N@H+](Cc3cc4ccccc4o3)C2)CCC1=O ZINC000077340668 571208142 /nfs/dbraw/zinc/20/81/42/571208142.db2.gz FMLIAKUAEMMUTF-QFIPXVFZSA-N 1 0 370.493 3.674 50 0 FHAARO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cc(F)cc(F)c1 ZINC000534666964 571208433 /nfs/dbraw/zinc/20/84/33/571208433.db2.gz UJXFOHBDIFFQHN-CQSZACIVSA-N 1 0 351.441 3.543 50 0 FHAARO Cc1ncc(C[NH+]2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)cn1 ZINC000077376439 571209423 /nfs/dbraw/zinc/20/94/23/571209423.db2.gz USVHUJIYSKATJI-UHFFFAOYSA-N 1 0 351.429 3.694 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]nc1C1CC1)c1ccccc1Cl ZINC000184220841 571209719 /nfs/dbraw/zinc/20/97/19/571209719.db2.gz WJMBCJBAYFDOIO-KRWDZBQOSA-N 1 0 360.889 3.753 50 0 FHAARO COCCC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2OC)nc1 ZINC000077392621 571209893 /nfs/dbraw/zinc/20/98/93/571209893.db2.gz VWEKCOLSOPFPND-GOSISDBHSA-N 1 0 355.482 3.933 50 0 FHAARO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000089544684 571212119 /nfs/dbraw/zinc/21/21/19/571212119.db2.gz LAFUVEWWWTVYFK-SFHVURJKSA-N 1 0 360.498 3.629 50 0 FHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccccn2)cc1 ZINC000077536420 571214819 /nfs/dbraw/zinc/21/48/19/571214819.db2.gz NDTNWHPENCYAKR-NRFANRHFSA-N 1 0 351.494 3.830 50 0 FHAARO CC(C)n1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cn1 ZINC000077553454 571215279 /nfs/dbraw/zinc/21/52/79/571215279.db2.gz WDSYRRAXHKDKQT-FQEVSTJZSA-N 1 0 354.498 3.811 50 0 FHAARO CN(C(=O)c1ccc(-c2cccc(C(F)(F)F)n2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000426360457 571215297 /nfs/dbraw/zinc/21/52/97/571215297.db2.gz SIABLKGHNUOEJS-HNNXBMFYSA-N 1 0 363.383 3.544 50 0 FHAARO COc1cccc(OCCC[N@@H+]2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)c1 ZINC000077566116 571215558 /nfs/dbraw/zinc/21/55/58/571215558.db2.gz MLIYFRGZRYONLO-JOCHJYFZSA-N 1 0 374.525 3.577 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cccc(Br)c1)c1cccs1 ZINC000023105566 571215714 /nfs/dbraw/zinc/21/57/14/571215714.db2.gz WDKVGOSMMKLZFP-CYBMUJFWSA-N 1 0 353.285 3.543 50 0 FHAARO CC1(C)C[N@@H+](C2CCN(C(=O)c3ccccn3)CC2)C[C@@H]1c1ccccc1 ZINC000426379724 571216919 /nfs/dbraw/zinc/21/69/19/571216919.db2.gz MLFFVKOVYWQIGN-HXUWFJFHSA-N 1 0 363.505 3.812 50 0 FHAARO Cc1cccnc1CCNC(=O)N1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000426379677 571216934 /nfs/dbraw/zinc/21/69/34/571216934.db2.gz IZUAPMRARCDQNR-OAQYLSRUSA-N 1 0 366.509 3.541 50 0 FHAARO CO[C@]12CC[N@H+](Cc3ccc(F)cc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426444611 571225899 /nfs/dbraw/zinc/22/58/99/571225899.db2.gz OGPJMZHBJCAHTC-IRFCIJBXSA-N 1 0 356.441 3.812 50 0 FHAARO Fc1cc(F)cc(C[N@@H+]2CC[C@H]3CN(c4nc5ccccc5o4)C[C@H]32)c1 ZINC000082087623 571227876 /nfs/dbraw/zinc/22/78/76/571227876.db2.gz OYVNOYGNDVLRMF-KBXCAEBGSA-N 1 0 355.388 3.817 50 0 FHAARO Cc1cc(C(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)c2cccc(C)c2n1 ZINC000082108863 571228318 /nfs/dbraw/zinc/22/83/18/571228318.db2.gz AXXMJYKSHCJENJ-HXUWFJFHSA-N 1 0 373.500 3.980 50 0 FHAARO CCC[C@@H]1CN(c2cc(C)c3cc(OC)cc(OC)c3n2)C[C@H]1[NH+](C)C ZINC000082127915 571228896 /nfs/dbraw/zinc/22/88/96/571228896.db2.gz HWZFDEMFGVFCHE-CRAIPNDOSA-N 1 0 357.498 3.727 50 0 FHAARO Cc1cccc2cc(C(=O)N(C)C[C@@H]3Cc4ccccc4C[N@@H+]3C)n(C)c21 ZINC000082160694 571229574 /nfs/dbraw/zinc/22/95/74/571229574.db2.gz DHPNWKTYJNGTFM-FQEVSTJZSA-N 1 0 361.489 3.615 50 0 FHAARO CCOC(=O)c1cnc2ccc(Cl)cc2c1N(C)C1CC[NH+](C)CC1 ZINC000004749812 571230851 /nfs/dbraw/zinc/23/08/51/571230851.db2.gz IMQWTXZEBIXHEV-UHFFFAOYSA-N 1 0 361.873 3.595 50 0 FHAARO C[C@H](c1ccc(-c2ncc(F)c(N3CCOCC3)n2)cc1)[NH+]1CCCCC1 ZINC000426547729 571231509 /nfs/dbraw/zinc/23/15/09/571231509.db2.gz YWESTURMLOVRCH-MRXNPFEDSA-N 1 0 370.472 3.666 50 0 FHAARO Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3C[NH+]3CCCC3)cc2)nn1 ZINC000426575172 571232036 /nfs/dbraw/zinc/23/20/36/571232036.db2.gz WOVBFQSLWKGDAF-HXUWFJFHSA-N 1 0 364.493 3.543 50 0 FHAARO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)C1 ZINC000426582793 571232404 /nfs/dbraw/zinc/23/24/04/571232404.db2.gz INPNDPDTESAARW-MRXNPFEDSA-N 1 0 363.383 3.544 50 0 FHAARO Cc1c[nH+]ccc1N1CCCN(C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000426711964 571236251 /nfs/dbraw/zinc/23/62/51/571236251.db2.gz BUZCTGYORIAMDC-MRXNPFEDSA-N 1 0 356.445 3.512 50 0 FHAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](C[C@@H]1CCOC(C)(C)C1)CC2 ZINC000091303882 571238723 /nfs/dbraw/zinc/23/87/23/571238723.db2.gz WYSBGGSVCUWNKC-GOSISDBHSA-N 1 0 374.573 3.564 50 0 FHAARO O=C1CC2(CN1Cc1ccc(F)c(F)c1)CC[NH+](Cc1ccoc1)CC2 ZINC000091505260 571240271 /nfs/dbraw/zinc/24/02/71/571240271.db2.gz YASRPFLCPMIUMV-UHFFFAOYSA-N 1 0 360.404 3.573 50 0 FHAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C4CC4)C3)CC2)cc1Cl ZINC000091562832 571240520 /nfs/dbraw/zinc/24/05/20/571240520.db2.gz KGBZMTNHVQAAIO-UHFFFAOYSA-N 1 0 362.901 3.716 50 0 FHAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccccc2C)C(C)C)cc1OC ZINC000036095798 571241087 /nfs/dbraw/zinc/24/10/87/571241087.db2.gz IFSAATIRBIJJOR-IBGZPJMESA-N 1 0 373.493 3.663 50 0 FHAARO C[C@@H]1C[N@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)CC[C@@]1(O)C1CC1 ZINC000091663090 571242040 /nfs/dbraw/zinc/24/20/40/571242040.db2.gz LXGDLTLFOUPLJZ-VLIAUNLRSA-N 1 0 357.885 3.780 50 0 FHAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc3cc(F)ccc3n1)CC2 ZINC000091679202 571242271 /nfs/dbraw/zinc/24/22/71/571242271.db2.gz OUFYIVWHXSGVPP-UHFFFAOYSA-N 1 0 355.457 3.598 50 0 FHAARO O=C(c1[nH]c2ccccc2c1Cl)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091690741 571242303 /nfs/dbraw/zinc/24/23/03/571242303.db2.gz SKJZLSDHRXUHTG-HUUCEWRRSA-N 1 0 357.885 3.768 50 0 FHAARO CCN1CC2(CC[NH+](Cc3cc(C)no3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091745624 571243239 /nfs/dbraw/zinc/24/32/39/571243239.db2.gz YYPKPZUNJBXCSW-FQEVSTJZSA-N 1 0 367.493 3.601 50 0 FHAARO COc1cccc(C[N@H+]2CC=C(C(=O)NCc3ccc(C)c(C)c3)CC2)c1 ZINC000064818007 571243893 /nfs/dbraw/zinc/24/38/93/571243893.db2.gz SSRGJTRZMVBBLQ-UHFFFAOYSA-N 1 0 364.489 3.761 50 0 FHAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)o2)C1 ZINC000065140871 571254882 /nfs/dbraw/zinc/25/48/82/571254882.db2.gz YSMCVUZUDHAAQP-GXTWGEPZSA-N 1 0 363.255 3.607 50 0 FHAARO Cc1ccc2cc(CCC(=O)NCCC[N@H+]3CCCC[C@H]3C)c(=O)[nH]c2c1 ZINC000065245603 571257580 /nfs/dbraw/zinc/25/75/80/571257580.db2.gz VBLOCUZXPOVKRK-QGZVFWFLSA-N 1 0 369.509 3.562 50 0 FHAARO O=C(C[C@@H](c1ccsc1)n1cccc1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731421 571258676 /nfs/dbraw/zinc/25/86/76/571258676.db2.gz XGRSIXZOTWQRMI-SXLOBPIMSA-N 1 0 371.550 3.910 50 0 FHAARO CCOc1ccccc1C[N@@H+]1CC[C@@H](c2nc3cccnc3n2CC)C1 ZINC000065285345 571260053 /nfs/dbraw/zinc/26/00/53/571260053.db2.gz YAPJWCBHOPLGKT-QGZVFWFLSA-N 1 0 350.466 3.839 50 0 FHAARO O=C(C[NH+]1CCCCCC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000007339714 571264531 /nfs/dbraw/zinc/26/45/31/571264531.db2.gz FYOGMTLLLHWXMA-UHFFFAOYSA-N 1 0 369.440 3.893 50 0 FHAARO O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000065553527 571264806 /nfs/dbraw/zinc/26/48/06/571264806.db2.gz YXBLTSUIPZWZIG-FQEVSTJZSA-N 1 0 363.505 3.539 50 0 FHAARO Cc1nc(CO[C@H]2CC[N@H+](CCOc3ccccc3Cl)C2)cs1 ZINC000170599805 571266760 /nfs/dbraw/zinc/26/67/60/571266760.db2.gz MUUJGODOKBFUOW-HNNXBMFYSA-N 1 0 352.887 3.775 50 0 FHAARO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613593 571267957 /nfs/dbraw/zinc/26/79/57/571267957.db2.gz ILVGJMCPDZFZOX-OALUTQOASA-N 1 0 367.493 3.655 50 0 FHAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000237591276 571277252 /nfs/dbraw/zinc/27/72/52/571277252.db2.gz DOVVTXASCQVLFW-CMPLNLGQSA-N 1 0 371.428 3.586 50 0 FHAARO CC[C@@H](C)n1ncc(C(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)c1C ZINC000252484807 571280349 /nfs/dbraw/zinc/28/03/49/571280349.db2.gz GIFIPSYELVEVEN-QGZVFWFLSA-N 1 0 368.525 3.865 50 0 FHAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000230511274 571309556 /nfs/dbraw/zinc/30/95/56/571309556.db2.gz WTYXXTOXSKLQCM-KRWDZBQOSA-N 1 0 365.452 3.755 50 0 FHAARO O=C(NC[C@H](c1ccco1)N1CCSCC1)c1cccc2ccccc21 ZINC000253394164 571311909 /nfs/dbraw/zinc/31/19/09/571311909.db2.gz ANANNTODBFZNSI-LJQANCHMSA-N 1 0 366.486 3.953 50 0 FHAARO COC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)ccc2Br)CC1 ZINC000253426687 571313105 /nfs/dbraw/zinc/31/31/05/571313105.db2.gz IFCFQFOOQMTNDU-LBPRGKRZSA-N 1 0 358.251 3.753 50 0 FHAARO C[NH+](C)CC[C@H](NC(=O)N(Cc1cccc(O)c1)C1CC1)c1ccccc1 ZINC000584897907 571315791 /nfs/dbraw/zinc/31/57/91/571315791.db2.gz MNDRJXQMXKBDOM-NRFANRHFSA-N 1 0 367.493 3.759 50 0 FHAARO Cc1c[nH+]ccc1N1CCCN(C(=O)NCC[C@@H](C)c2ccccc2)CC1 ZINC000584899145 571315903 /nfs/dbraw/zinc/31/59/03/571315903.db2.gz QHFBTABUYRWIDX-GOSISDBHSA-N 1 0 366.509 3.806 50 0 FHAARO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1C ZINC000007941449 571322468 /nfs/dbraw/zinc/32/24/68/571322468.db2.gz QOSLMFLOQOIDBJ-UHFFFAOYSA-N 1 0 352.478 3.920 50 0 FHAARO Cc1ccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000013363921 571323279 /nfs/dbraw/zinc/32/32/79/571323279.db2.gz VGTXXTRWZPIDBT-UHFFFAOYSA-N 1 0 369.484 3.846 50 0 FHAARO Cn1[nH]c(-c2ccccn2)c2nc(-c3cc(C[NH+]4CCCC4)cs3)nc1-2 ZINC000019641049 571326864 /nfs/dbraw/zinc/32/68/64/571326864.db2.gz HCGUDPADVCGCLE-UHFFFAOYSA-N 1 0 364.478 3.683 50 0 FHAARO CCOc1ccc(C[NH+]2CCN(c3ncnc4c(C)cccc43)CC2)cc1 ZINC000079112681 571327153 /nfs/dbraw/zinc/32/71/53/571327153.db2.gz JHDRZWZSPKIGFA-UHFFFAOYSA-N 1 0 362.477 3.659 50 0 FHAARO CCCC[NH+](CCCC)CCn1cnc2c3cc(OC)ccc3[nH]c2c1=O ZINC000020438328 571329495 /nfs/dbraw/zinc/32/94/95/571329495.db2.gz DLXPCIQBYUQYAL-UHFFFAOYSA-N 1 0 370.497 3.789 50 0 FHAARO Cc1csc2nc(C[N@@H+](Cc3ccc(F)cc3)CC(C)C)cc(=O)n12 ZINC000021102266 571332590 /nfs/dbraw/zinc/33/25/90/571332590.db2.gz MMTRTYDNICOFEB-UHFFFAOYSA-N 1 0 359.470 3.862 50 0 FHAARO O=C(CSC1CCCC1)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000096098349 571334277 /nfs/dbraw/zinc/33/42/77/571334277.db2.gz JYLRIKMNTQXEAA-UHFFFAOYSA-N 1 0 352.569 3.752 50 0 FHAARO Cc1cc(NC(=O)Cc2ccccc2Cl)ccc1N1CC[NH+](C)CC1 ZINC000021865558 571336054 /nfs/dbraw/zinc/33/60/54/571336054.db2.gz MFVOAOHUEGVOBP-UHFFFAOYSA-N 1 0 357.885 3.581 50 0 FHAARO CC[NH+]1CCN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC000028901898 571336445 /nfs/dbraw/zinc/33/64/45/571336445.db2.gz OVCKNMLBEYBENO-UHFFFAOYSA-N 1 0 373.884 3.708 50 0 FHAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1C(F)(F)F ZINC000225570280 571337193 /nfs/dbraw/zinc/33/71/93/571337193.db2.gz FIENIABSPJIJJQ-CQSZACIVSA-N 1 0 372.456 3.653 50 0 FHAARO O=C(/C=C/c1ccccc1Cl)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225569950 571337200 /nfs/dbraw/zinc/33/72/00/571337200.db2.gz XXERZARCKDELAV-RTRPANQVSA-N 1 0 364.942 3.687 50 0 FHAARO CCc1ccccc1OCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000002633109 571339658 /nfs/dbraw/zinc/33/96/58/571339658.db2.gz RDIUXTKONMFVLT-UHFFFAOYSA-N 1 0 358.526 3.933 50 0 FHAARO Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000057154924 571342401 /nfs/dbraw/zinc/34/24/01/571342401.db2.gz MLWJYMKFAJQRJS-ICSRJNTNSA-N 1 0 353.466 3.559 50 0 FHAARO Cc1cc(C)cc(OCCN(C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000057273625 571342471 /nfs/dbraw/zinc/34/24/71/571342471.db2.gz VDZPNYCZYUEWKC-MRXNPFEDSA-N 1 0 351.450 3.612 50 0 FHAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)C[C@H]3CCCO3)CC2)cc1C ZINC000003058248 571344412 /nfs/dbraw/zinc/34/44/12/571344412.db2.gz ZRGBARZITUOYIE-LJQANCHMSA-N 1 0 361.555 3.575 50 0 FHAARO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000057679520 571345104 /nfs/dbraw/zinc/34/51/04/571345104.db2.gz GQCDOMQAWPVHTN-QWHCGFSZSA-N 1 0 351.878 3.538 50 0 FHAARO CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000003179654 571345229 /nfs/dbraw/zinc/34/52/29/571345229.db2.gz UDJCJDFCXCKPIX-TZIWHRDSSA-N 1 0 350.462 3.842 50 0 FHAARO C[C@@H]1CCC[C@H](C)[N@H+]1CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003189758 571345343 /nfs/dbraw/zinc/34/53/43/571345343.db2.gz STTINUWGALUHJH-OKILXGFUSA-N 1 0 358.935 3.660 50 0 FHAARO CCc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2c(C)nn(C)c2C)C(C)C)cc1 ZINC000057838684 571345584 /nfs/dbraw/zinc/34/55/84/571345584.db2.gz RSKSEBOYFLXSNO-BEFAXECRSA-N 1 0 356.514 3.913 50 0 FHAARO Cc1ccc2c(C[N@H+](C)Cc3ccc4c(c3)OCCO4)cc(=O)oc2c1C ZINC000057878379 571345777 /nfs/dbraw/zinc/34/57/77/571345777.db2.gz PYKLEKNDHMWFNW-UHFFFAOYSA-N 1 0 365.429 3.813 50 0 FHAARO O=C(NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1onc2c1CCCC2 ZINC000670448659 571351639 /nfs/dbraw/zinc/35/16/39/571351639.db2.gz DYZSQIVWWOERSA-GOSISDBHSA-N 1 0 367.493 3.728 50 0 FHAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccccc1 ZINC000004058620 571354604 /nfs/dbraw/zinc/35/46/04/571354604.db2.gz CYJZXMHOXJBFQQ-UHFFFAOYSA-N 1 0 359.429 3.863 50 0 aggregator FHAARO Cc1ccc(-c2cccc(C[NH+]3CCC([C@@H](O)c4nccn4C)CC3)c2)o1 ZINC000670457023 571354929 /nfs/dbraw/zinc/35/49/29/571354929.db2.gz YHSOVQAEPMYNNL-OAQYLSRUSA-N 1 0 365.477 3.934 50 0 FHAARO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000004315066 571357857 /nfs/dbraw/zinc/35/78/57/571357857.db2.gz VKEHXHZTNHMYAN-UHFFFAOYSA-N 1 0 362.477 3.998 50 0 FHAARO OC[C@]1(Cc2ccccc2F)CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000015061550 928517396 /nfs/dbraw/zinc/51/73/96/928517396.db2.gz WQHWPHBDGVKKQL-FQEVSTJZSA-N 1 0 371.481 3.648 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccncc1Cl ZINC000161648899 937343954 /nfs/dbraw/zinc/34/39/54/937343954.db2.gz DLIIMJMKUOHMGI-MRXNPFEDSA-N 1 0 373.884 3.567 50 0 FHAARO Cc1ccc2sc(C(=O)N3CC[N@H+](C4CCOCC4)C[C@H]3C)cc2c1 ZINC000291046938 933800017 /nfs/dbraw/zinc/80/00/17/933800017.db2.gz LTLGMZNFNNJMIQ-OAHLLOKOSA-N 1 0 358.507 3.535 50 0 FHAARO OCC1CC[NH+]([C@H]2CCCN(Cc3ccccc3-c3ccco3)C2)CC1 ZINC000022851373 934976230 /nfs/dbraw/zinc/97/62/30/934976230.db2.gz PTSLYLVRPJDWAC-FQEVSTJZSA-N 1 0 354.494 3.615 50 0 FHAARO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657923402 939007522 /nfs/dbraw/zinc/00/75/22/939007522.db2.gz UGIQSDONIOUCNF-CNDLSXRNSA-N 1 0 371.431 3.827 50 0 FHAARO COc1ccc(Br)cc1C[N@H+](C)C[C@H](O)c1ccccc1 ZINC000023281002 939966368 /nfs/dbraw/zinc/96/63/68/939966368.db2.gz ZXUDZBWIGZDIFU-INIZCTEOSA-N 1 0 350.256 3.623 50 0 FHAARO O=C(Cc1cccnc1)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000023379548 940302096 /nfs/dbraw/zinc/30/20/96/940302096.db2.gz WVUWMQHELGZULT-JOCHJYFZSA-N 1 0 355.526 3.519 50 0 FHAARO FC1(F)C[C@@H](COc2cccnc2)N(C2CC[NH+](C3CCCC3)CC2)C1 ZINC000257190271 942648686 /nfs/dbraw/zinc/64/86/86/942648686.db2.gz LXXRVRBSCOUSIG-SFHVURJKSA-N 1 0 365.468 3.577 50 0 FHAARO CO[C@@H]1C(=O)N(c2cccc(F)c2)C12CC[NH+](Cc1sccc1C)CC2 ZINC000257176655 942778873 /nfs/dbraw/zinc/77/88/73/942778873.db2.gz CVWDIYPVVCYRGJ-GOSISDBHSA-N 1 0 374.481 3.592 50 0 FHAARO CCn1nc(C)c(C[NH+]2CCC(CCc3noc(C4CC4)n3)CC2)c1C ZINC000675019285 943627422 /nfs/dbraw/zinc/62/74/22/943627422.db2.gz LTLOBCVGBRKNHT-UHFFFAOYSA-N 1 0 357.502 3.625 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccccc2OC(C)C)CC1 ZINC000045463383 946050535 /nfs/dbraw/zinc/05/05/35/946050535.db2.gz JOSMNKMXACTVSX-KRWDZBQOSA-N 1 0 361.530 3.954 50 0 FHAARO COc1ccccc1-c1csc(NC(=O)C2CC[NH+](C3CC3)CC2)n1 ZINC000195351582 947707945 /nfs/dbraw/zinc/70/79/45/947707945.db2.gz DRSXZRCPVSANAN-UHFFFAOYSA-N 1 0 357.479 3.632 50 0 FHAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2=O)c1 ZINC000012744829 948228362 /nfs/dbraw/zinc/22/83/62/948228362.db2.gz QUAIQHUXJMVCIF-JOCHJYFZSA-N 1 0 368.477 3.611 50 0 FHAARO O=C(NC1(c2ccccc2C(F)(F)F)CC1)c1cc2c(s1)CC[NH2+]C2 ZINC000888101788 948444971 /nfs/dbraw/zinc/44/49/71/948444971.db2.gz OFDVXXLYOQUZIA-UHFFFAOYSA-N 1 0 366.408 3.832 50 0 FHAARO CCCn1nc(C[NH2+]CCc2nc3ccccc3[nH]2)c(-c2ccccc2)n1 ZINC000261492209 210007421 /nfs/dbraw/zinc/00/74/21/210007421.db2.gz VLRVFIHFSUKARQ-UHFFFAOYSA-N 1 0 360.465 3.564 50 0 FHAARO COc1cc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)ccc1C ZINC000252492590 209934494 /nfs/dbraw/zinc/93/44/94/209934494.db2.gz MPYMTWGLGITGGT-UHFFFAOYSA-N 1 0 352.478 3.706 50 0 FHAARO Cc1nc(CC[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)cs1 ZINC000095466844 209880316 /nfs/dbraw/zinc/88/03/16/209880316.db2.gz XHYFVWTWLJOQTR-XJKSGUPXSA-N 1 0 353.532 3.762 50 0 FHAARO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000225570181 209820622 /nfs/dbraw/zinc/82/06/22/209820622.db2.gz HSXOHZGWBVFKTC-INIZCTEOSA-N 1 0 372.456 3.653 50 0 FHAARO COc1ccc(CN(C(=O)c2ccco2)[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000002263308 209394957 /nfs/dbraw/zinc/39/49/57/209394957.db2.gz SUTXCIMFRCHMFF-JTDSTZFVSA-N 1 0 356.466 3.659 50 0 FHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000237247344 209341238 /nfs/dbraw/zinc/34/12/38/209341238.db2.gz SMBNXYVGWKEYDP-HNNXBMFYSA-N 1 0 370.880 3.643 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(F)cc2Br)C1 ZINC000047416748 209328406 /nfs/dbraw/zinc/32/84/06/209328406.db2.gz VFHXSIRHPMZCBX-BETUJISGSA-N 1 0 371.294 3.686 50 0 FHAARO C[N@@H+]1C[C@H](NC(=O)c2csc(-c3cccs3)n2)[C@H](c2ccccc2)C1 ZINC000108146341 209283046 /nfs/dbraw/zinc/28/30/46/209283046.db2.gz ZOOFMLGSIDJCFD-GJZGRUSLSA-N 1 0 369.515 3.699 50 0 FHAARO COc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1Cl ZINC000043332286 209280386 /nfs/dbraw/zinc/28/03/86/209280386.db2.gz QXVKCSYUILYRPQ-CYBMUJFWSA-N 1 0 353.875 3.835 50 0 FHAARO CCC(CC)n1nccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000097619242 209190102 /nfs/dbraw/zinc/19/01/02/209190102.db2.gz MCNFHNHWJCFDHL-INIZCTEOSA-N 1 0 373.501 3.871 50 0 FHAARO Clc1ccc(Oc2cccc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)c2)cc1 ZINC000097675435 209191341 /nfs/dbraw/zinc/19/13/41/209191341.db2.gz JQHSMEOBALXNGV-LJQANCHMSA-N 1 0 371.912 3.612 50 0 FHAARO CC1(C)Cc2cc(C[NH+]3CCC([C@@H](O)c4ccccn4)CC3)ccc2O1 ZINC000097514200 209184689 /nfs/dbraw/zinc/18/46/89/209184689.db2.gz RTKQLTPNESRPNC-OAQYLSRUSA-N 1 0 352.478 3.741 50 0 FHAARO Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)cc(C)n1 ZINC000097529096 209184032 /nfs/dbraw/zinc/18/40/32/209184032.db2.gz NAVWBBKZIGRUBU-HXUWFJFHSA-N 1 0 355.457 3.795 50 0 FHAARO Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)cc(C)n1 ZINC000097529095 209183622 /nfs/dbraw/zinc/18/36/22/209183622.db2.gz NAVWBBKZIGRUBU-FQEVSTJZSA-N 1 0 355.457 3.795 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@]2(CCCO2)CC1 ZINC000097475532 209183112 /nfs/dbraw/zinc/18/31/12/209183112.db2.gz VFFAVQWSJDVWNN-QFIPXVFZSA-N 1 0 356.510 3.848 50 0 FHAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1cnc(SCc2ccccc2)nc1 ZINC000097413266 209180177 /nfs/dbraw/zinc/18/01/77/209180177.db2.gz LMSMSWKJNZPDFM-INIZCTEOSA-N 1 0 365.506 3.622 50 0 FHAARO Cc1nc(-c2ccccc2)[nH]c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000097295115 209177332 /nfs/dbraw/zinc/17/73/32/209177332.db2.gz PLZFBCLQPDKICQ-KRWDZBQOSA-N 1 0 364.449 3.545 50 0 FHAARO C[NH+](C)C[C@@H](NC(=O)/C=C\c1ccccc1Br)c1ccccc1 ZINC000096920599 209161764 /nfs/dbraw/zinc/16/17/64/209161764.db2.gz KHESUSIHAZUBKU-MENFKHAKSA-N 1 0 373.294 3.881 50 0 FHAARO COCCN(C(=O)Nc1ccccc1SC(C)C)C1CC[NH+](C)CC1 ZINC000096140974 209121088 /nfs/dbraw/zinc/12/10/88/209121088.db2.gz SKBIUHIYDCSPOB-UHFFFAOYSA-N 1 0 365.543 3.762 50 0 FHAARO COCc1ccc(C(=O)NC[C@@H](c2ccccc2C)[NH+]2CCC(C)CC2)o1 ZINC000096141039 209121098 /nfs/dbraw/zinc/12/10/98/209121098.db2.gz BDWCJFQGCXEEPP-FQEVSTJZSA-N 1 0 370.493 3.937 50 0 FHAARO COc1cccc(NC(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000096138158 209118408 /nfs/dbraw/zinc/11/84/08/209118408.db2.gz XDUJMCDVROKFQR-GOSISDBHSA-N 1 0 353.466 3.729 50 0 FHAARO Cc1nn(CCC(N)=O)c(C)c1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000096133244 209117028 /nfs/dbraw/zinc/11/70/28/209117028.db2.gz VWKHFAZAESJZKD-INIZCTEOSA-N 1 0 354.498 3.589 50 0 FHAARO CC[C@]1(C)Cc2c(sc3nc(SC)nc(NCC[NH+](C)C)c23)CO1 ZINC000002414056 206914443 /nfs/dbraw/zinc/91/44/43/206914443.db2.gz XWAXCWGQTKUVOV-QGZVFWFLSA-N 1 0 366.556 3.628 50 0 FHAARO O[C@@]1(c2ccc(OC(F)F)cc2)CN2CCCCC2=[N+]1c1ccccc1 ZINC000002569229 206921161 /nfs/dbraw/zinc/92/11/61/206921161.db2.gz JYNWMVOJFIDLRD-HXUWFJFHSA-N 1 0 359.396 3.548 50 0 FHAARO CC[NH+](CC)CCNc1ncnc2c3cc(Br)ccc3oc21 ZINC000002328879 206909371 /nfs/dbraw/zinc/90/93/71/206909371.db2.gz AFIGDMUJDNAVKX-UHFFFAOYSA-N 1 0 363.259 3.892 50 0 FHAARO Cc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000002966200 206948702 /nfs/dbraw/zinc/94/87/02/206948702.db2.gz MKNPLIZXPBRWES-NRFANRHFSA-N 1 0 373.423 3.857 50 0 FHAARO O=C(c1ccc(Cl)cc1)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000004247822 207010040 /nfs/dbraw/zinc/01/00/40/207010040.db2.gz ACHQJZRFPALDEI-IBGZPJMESA-N 1 0 373.880 3.797 50 0 FHAARO CC[C@@H]1CSC2=[N+](c3ccccc3)[C@](O)(c3ccc(Cl)cc3)CN21 ZINC000004528763 207025186 /nfs/dbraw/zinc/02/51/86/207025186.db2.gz RVDRUURPQNKSIT-VQIMIIECSA-N 1 0 359.902 3.899 50 0 FHAARO CCOc1ccc(I)cc1C[NH2+]Cc1ccccc1 ZINC000004855849 207055518 /nfs/dbraw/zinc/05/55/18/207055518.db2.gz DZOLIXZJRSSBQK-UHFFFAOYSA-N 1 0 367.230 3.980 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939331 207065477 /nfs/dbraw/zinc/06/54/77/207065477.db2.gz YQJFTOBGDFURTB-ZDUSSCGKSA-N 1 0 370.474 3.530 50 0 FHAARO COc1cc(C[NH2+]CC(C)C)ccc1OCC(=O)Nc1ccccc1C ZINC000005065109 207077178 /nfs/dbraw/zinc/07/71/78/207077178.db2.gz SODQTFADKLEWTK-UHFFFAOYSA-N 1 0 356.466 3.767 50 0 FHAARO Cc1ccc2[nH]c3c(ncn(CCC[NH+]4C[C@@H](C)C[C@H](C)C4)c3=O)c2c1 ZINC000005152207 207084231 /nfs/dbraw/zinc/08/42/31/207084231.db2.gz ZWMIOKQQIXEMDC-HOTGVXAUSA-N 1 0 352.482 3.554 50 0 FHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000005704776 207112984 /nfs/dbraw/zinc/11/29/84/207112984.db2.gz PAEXCNNLKSGVBZ-HNNXBMFYSA-N 1 0 352.356 3.865 50 0 FHAARO O[C@@H](C[NH2+]C[C@H]1CC1(Cl)Cl)COc1ccc(-c2ccccc2)cc1 ZINC000006085915 207129499 /nfs/dbraw/zinc/12/94/99/207129499.db2.gz AJPQLHOKRRLUMH-SJORKVTESA-N 1 0 366.288 3.877 50 0 FHAARO O=C(C[NH2+][C@H]1CCCc2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000006476200 207142474 /nfs/dbraw/zinc/14/24/74/207142474.db2.gz WVLIKYMRAWIJMG-HNNXBMFYSA-N 1 0 360.360 3.614 50 0 FHAARO CCN(CC)c1ccc2cc(C(=O)NCc3cccs3)c(=[NH2+])oc2c1 ZINC000006517583 207143494 /nfs/dbraw/zinc/14/34/94/207143494.db2.gz FXCOODUULLMVMV-UHFFFAOYSA-N 1 0 355.463 3.750 50 0 FHAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4ccccc4Cl)nc3c12 ZINC000006669803 207153238 /nfs/dbraw/zinc/15/32/38/207153238.db2.gz DGBZMJFAKFBUGN-UHFFFAOYSA-N 1 0 368.872 3.578 50 0 FHAARO CC1(C)C[C@@](CC[NH2+]CCCN2CCOCC2)(Cc2ccccc2)CCO1 ZINC000006759586 207160884 /nfs/dbraw/zinc/16/08/84/207160884.db2.gz OMMMTYVSSFZZFI-HSZRJFAPSA-N 1 0 374.569 3.507 50 0 FHAARO Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCC[NH+](C)C)cc12 ZINC000006913385 207177105 /nfs/dbraw/zinc/17/71/05/207177105.db2.gz CJJCMLHQNIALHO-UHFFFAOYSA-N 1 0 367.468 3.737 50 0 FHAARO CN([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000006936158 207178906 /nfs/dbraw/zinc/17/89/06/207178906.db2.gz BWOUGFHYOSCTRB-HXUWFJFHSA-N 1 0 355.457 3.532 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCn2cnc3c4cc(Cl)ccc4[nH]c3c2=O)C1 ZINC000006809349 207169080 /nfs/dbraw/zinc/16/90/80/207169080.db2.gz YAAPCIQCNOUERR-ZIAGYGMSSA-N 1 0 372.900 3.899 50 0 FHAARO Cn1cc(CCC(=O)NCCC[N@H+](C)C2CCCCC2)c2ccccc21 ZINC000006857955 207172672 /nfs/dbraw/zinc/17/26/72/207172672.db2.gz JLRXUISYQWVETP-UHFFFAOYSA-N 1 0 355.526 3.882 50 0 FHAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)CCc1cn(C)c2ccccc12 ZINC000006857956 207173135 /nfs/dbraw/zinc/17/31/35/207173135.db2.gz CJKWCGHFOPZIPR-HDICACEKSA-N 1 0 355.526 3.880 50 0 FHAARO COc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000007492045 207196485 /nfs/dbraw/zinc/19/64/85/207196485.db2.gz GKGLWELCCJFXMI-UHFFFAOYSA-N 1 0 358.869 3.743 50 0 FHAARO COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccc(C)cc2)c1 ZINC000007717050 207202921 /nfs/dbraw/zinc/20/29/21/207202921.db2.gz CYCDJQZALCBJOV-LJQANCHMSA-N 1 0 354.450 3.788 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc2c(c(Cl)c1)OCO2 ZINC000008012465 207216540 /nfs/dbraw/zinc/21/65/40/207216540.db2.gz VQJIGIMIKGVSKW-UHFFFAOYSA-N 1 0 372.852 3.595 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000007960766 207213448 /nfs/dbraw/zinc/21/34/48/207213448.db2.gz KGASUGDVMKMWAM-INIZCTEOSA-N 1 0 368.506 3.610 50 0 FHAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000009388278 207269849 /nfs/dbraw/zinc/26/98/49/207269849.db2.gz DXAJVKISQROYMQ-UHFFFAOYSA-N 1 0 354.498 3.528 50 0 FHAARO O=c1cc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)c2cc3c(cc2o1)CCC3 ZINC000009482045 207273516 /nfs/dbraw/zinc/27/35/16/207273516.db2.gz MOJJVLQAVULOLV-CALCHBBNSA-N 1 0 354.475 3.785 50 0 FHAARO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000009500012 207274491 /nfs/dbraw/zinc/27/44/91/207274491.db2.gz SWJVZJPSNLMEIL-INIZCTEOSA-N 1 0 355.482 3.798 50 0 FHAARO COc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1OC ZINC000009315584 207265328 /nfs/dbraw/zinc/26/53/28/207265328.db2.gz DYRXSMZUEHMWHS-UHFFFAOYSA-N 1 0 360.498 3.622 50 0 FHAARO CN(C)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000009932195 207291277 /nfs/dbraw/zinc/29/12/77/207291277.db2.gz ATIROPZLLPSMEK-UHFFFAOYSA-N 1 0 351.494 3.669 50 0 FHAARO CCCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000010450904 207301063 /nfs/dbraw/zinc/30/10/63/207301063.db2.gz QFCOIEXGEWGBBL-UHFFFAOYSA-N 1 0 352.478 3.870 50 0 FHAARO COCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010475324 207302063 /nfs/dbraw/zinc/30/20/63/207302063.db2.gz PRENGSNNDCPYFX-UHFFFAOYSA-N 1 0 350.256 3.764 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccs3)C2)c(F)c1 ZINC000011661941 207317033 /nfs/dbraw/zinc/31/70/33/207317033.db2.gz ILHVODCUTCKPEW-CQSZACIVSA-N 1 0 362.470 3.538 50 0 FHAARO C[C@H]1CCCC[N@@H+]1Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O ZINC000011783170 207321770 /nfs/dbraw/zinc/32/17/70/207321770.db2.gz UGDWZTDZFLLEBM-INIZCTEOSA-N 1 0 365.452 3.958 50 0 FHAARO Cc1cc(C(=O)N2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c(C)o1 ZINC000011665198 207316038 /nfs/dbraw/zinc/31/60/38/207316038.db2.gz PEYCIPQFMWJZPZ-HXUWFJFHSA-N 1 0 367.493 3.666 50 0 FHAARO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cnn1C ZINC000011934587 207331197 /nfs/dbraw/zinc/33/11/97/207331197.db2.gz VMTBPCZRZAFOQX-OAHLLOKOSA-N 1 0 365.399 3.842 50 0 FHAARO O=C(CC(F)(F)F)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012050222 207335108 /nfs/dbraw/zinc/33/51/08/207335108.db2.gz NDDBLPNEMRZYRG-KRWDZBQOSA-N 1 0 358.379 3.593 50 0 FHAARO O=C(N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)c1ccc(F)cc1Cl ZINC000012020449 207334606 /nfs/dbraw/zinc/33/46/06/207334606.db2.gz XZUCHPAUQCAKQX-QGZVFWFLSA-N 1 0 372.871 3.841 50 0 FHAARO CC1(C(=O)N2CC[C@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)CC1 ZINC000011844547 207325668 /nfs/dbraw/zinc/32/56/68/207325668.db2.gz IYTBVBMEDBLETL-INIZCTEOSA-N 1 0 362.464 3.825 50 0 FHAARO CSCC[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000012054043 207335483 /nfs/dbraw/zinc/33/54/83/207335483.db2.gz RICFVVGSCURZQV-CQSZACIVSA-N 1 0 352.548 3.646 50 0 FHAARO COc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)o1 ZINC000012056956 207336057 /nfs/dbraw/zinc/33/60/57/207336057.db2.gz NVUHJQNVKJEPQU-NRFANRHFSA-N 1 0 372.440 3.556 50 0 FHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)NCc1cccc(F)c1F)C[C@H](C)O2 ZINC000012099647 207338231 /nfs/dbraw/zinc/33/82/31/207338231.db2.gz HHOBDSKLYXMJKR-HNNXBMFYSA-N 1 0 374.431 3.563 50 0 FHAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccccc1-c1ncc[nH]1 ZINC000012307064 207358128 /nfs/dbraw/zinc/35/81/28/207358128.db2.gz VOCQEQUWAHLBPC-QGZVFWFLSA-N 1 0 366.509 3.994 50 0 FHAARO CC[N@H+](CCO)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000012431048 207373855 /nfs/dbraw/zinc/37/38/55/207373855.db2.gz FCGOTWWIPRQYSX-UHFFFAOYSA-N 1 0 369.440 3.501 50 0 FHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000012429334 207374234 /nfs/dbraw/zinc/37/42/34/207374234.db2.gz KYAQBEUTFYBCIW-HNNXBMFYSA-N 1 0 365.399 3.842 50 0 FHAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cccnc2)CC1 ZINC000012449085 207377824 /nfs/dbraw/zinc/37/78/24/207377824.db2.gz AVLNRPCURYVIHS-UHFFFAOYSA-N 1 0 368.477 3.696 50 0 FHAARO COc1cccc(-c2cc(CC3(O)CC[NH+](CC4CCCC4)CC3)on2)c1 ZINC000012586357 207398575 /nfs/dbraw/zinc/39/85/75/207398575.db2.gz DYAKVOAEYRFBTR-UHFFFAOYSA-N 1 0 370.493 3.910 50 0 FHAARO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000013003984 207447568 /nfs/dbraw/zinc/44/75/68/207447568.db2.gz JITBUOKWNKIJBB-QGZVFWFLSA-N 1 0 369.490 3.673 50 0 FHAARO CCOc1cc(C[NH2+][C@H](C)CC)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717724 207477740 /nfs/dbraw/zinc/47/77/40/207477740.db2.gz QVEWZGYKZJPEJJ-OAHLLOKOSA-N 1 0 367.453 3.741 50 0 FHAARO C[NH+](C)CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000014094750 207499379 /nfs/dbraw/zinc/49/93/79/207499379.db2.gz MWFUZMUCRNDLGV-QGZVFWFLSA-N 1 0 362.477 3.509 50 0 FHAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(C2SCCS2)cc1 ZINC000014183275 207509877 /nfs/dbraw/zinc/50/98/77/207509877.db2.gz DABIDZPUIJEYNI-UHFFFAOYSA-N 1 0 350.553 3.771 50 0 FHAARO CN(C)C(=O)c1ccc(-c2cccc(-c3ccn(C[C@@H]4CC[NH2+]C4)n3)c2)cc1 ZINC000019111722 207640704 /nfs/dbraw/zinc/64/07/04/207640704.db2.gz JLTRDUJFKIIPHI-QGZVFWFLSA-N 1 0 374.488 3.528 50 0 FHAARO COc1ccc(CC[NH2+]Cc2ccc(Br)cc2)cc1OC ZINC000019560640 207682623 /nfs/dbraw/zinc/68/26/23/207682623.db2.gz CRDBMSQADFKTKZ-UHFFFAOYSA-N 1 0 350.256 3.799 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCc2cc(C(C)=O)c(C)o2)cc1 ZINC000021960355 207790838 /nfs/dbraw/zinc/79/08/38/207790838.db2.gz GRECJEOWJPDWLA-UHFFFAOYSA-N 1 0 370.493 3.881 50 0 FHAARO Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000029787992 207997360 /nfs/dbraw/zinc/99/73/60/207997360.db2.gz NEVSNFDQIUHUND-UHFFFAOYSA-N 1 0 362.562 3.514 50 0 FHAARO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)n1cnc2ccccc21 ZINC000030649152 208003610 /nfs/dbraw/zinc/00/36/10/208003610.db2.gz TZCWWPODKIKJIG-KRWDZBQOSA-N 1 0 362.477 3.510 50 0 FHAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000030762507 208004044 /nfs/dbraw/zinc/00/40/44/208004044.db2.gz FJOQQOAZBWUCDR-QFIPXVFZSA-N 1 0 364.489 3.745 50 0 FHAARO Cc1ccc2c(CC(=O)NCC[N@@H+]3CCc4ccccc4C3)coc2c1C ZINC000031337355 208012489 /nfs/dbraw/zinc/01/24/89/208012489.db2.gz NIQVOKFLFDMCJG-UHFFFAOYSA-N 1 0 362.473 3.767 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000032593854 208031720 /nfs/dbraw/zinc/03/17/20/208031720.db2.gz KQUOGINHMYMFJX-FQEVSTJZSA-N 1 0 372.484 3.921 50 0 FHAARO c1ccc(CC[NH2+]Cc2ccc(Oc3nnnn3-c3ccccc3)cc2)cc1 ZINC000032616946 208034663 /nfs/dbraw/zinc/03/46/63/208034663.db2.gz NNUOOCOODMJCRQ-UHFFFAOYSA-N 1 0 371.444 3.787 50 0 FHAARO O=C(CSc1ccc(F)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032761388 208042201 /nfs/dbraw/zinc/04/22/01/208042201.db2.gz LTKGGZZPBJNGPM-INIZCTEOSA-N 1 0 364.511 3.933 50 0 FHAARO C[NH+](C)C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000032781217 208043601 /nfs/dbraw/zinc/04/36/01/208043601.db2.gz LKEGZUFQWJDSKF-KRWDZBQOSA-N 1 0 350.384 3.667 50 0 FHAARO Cc1ccc(C2=NC3(CC[NH+](Cc4cc(C)ccc4C)CC3)NC2=O)cc1 ZINC000035430978 208123943 /nfs/dbraw/zinc/12/39/43/208123943.db2.gz IOTWWVVAIPDGON-UHFFFAOYSA-N 1 0 361.489 3.523 50 0 FHAARO CC[C@@](C)([NH2+]CCc1ccccc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000035622221 208132739 /nfs/dbraw/zinc/13/27/39/208132739.db2.gz NGFPVSVNMFCUFL-LJQANCHMSA-N 1 0 355.873 3.773 50 0 FHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3cc(F)cc(F)c3)c2)C1 ZINC000034670358 208104179 /nfs/dbraw/zinc/10/41/79/208104179.db2.gz DNQUKLVMXPTUKO-OAHLLOKOSA-N 1 0 360.404 3.802 50 0 FHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3ccc(F)c(C)c3)c2)C1 ZINC000034670378 208104317 /nfs/dbraw/zinc/10/43/17/208104317.db2.gz ADNYAUMAEGQLMA-GOSISDBHSA-N 1 0 356.441 3.971 50 0 FHAARO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(C)cc2)CC(C)C)cc1 ZINC000036094937 208143325 /nfs/dbraw/zinc/14/33/25/208143325.db2.gz WEBFOJRMUWILMQ-HXUWFJFHSA-N 1 0 357.494 3.902 50 0 FHAARO CCC[NH2+]CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000036094754 208144296 /nfs/dbraw/zinc/14/42/96/208144296.db2.gz MRHTYJRAJMDORH-GOSISDBHSA-N 1 0 358.507 3.561 50 0 FHAARO COc1cc(C[N@H+](CCC(C)C)C[C@@H](O)COC(C)(C)C)cc(OC)c1 ZINC000036095153 208144419 /nfs/dbraw/zinc/14/44/19/208144419.db2.gz NAPLIUOWMBXBJJ-GOSISDBHSA-N 1 0 367.530 3.728 50 0 FHAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101997 208145022 /nfs/dbraw/zinc/14/50/22/208145022.db2.gz WKVFMLMOFGBRQT-OAQYLSRUSA-N 1 0 373.468 3.841 50 0 FHAARO CCC[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)COc1ccc(OC)cc1 ZINC000036099739 208146038 /nfs/dbraw/zinc/14/60/38/208146038.db2.gz WZRPSDPIEAUDCU-KRWDZBQOSA-N 1 0 365.420 3.625 50 0 FHAARO O=C(CCOc1ccccc1)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000036098381 208146365 /nfs/dbraw/zinc/14/63/65/208146365.db2.gz SWDTUJYAPKOGKC-FQEVSTJZSA-N 1 0 356.441 3.548 50 0 FHAARO CC[C@@H](C)[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccccc1 ZINC000036095807 208146771 /nfs/dbraw/zinc/14/67/71/208146771.db2.gz MMDIQKGWVFTHLD-MJGOQNOKSA-N 1 0 373.493 3.744 50 0 FHAARO COc1cc(C)c(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)cc1C ZINC000039509273 208209875 /nfs/dbraw/zinc/20/98/75/208209875.db2.gz POPDDTIHIHDDHW-OAQYLSRUSA-N 1 0 360.542 3.513 50 0 FHAARO CC(=O)c1cc(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)cs1 ZINC000039551020 208211503 /nfs/dbraw/zinc/21/15/03/208211503.db2.gz DBLOIYKCZFAVBN-LJQANCHMSA-N 1 0 354.519 3.672 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)CCOc1cccc(Cl)c1)c1ccsc1 ZINC000040090291 208226002 /nfs/dbraw/zinc/22/60/02/208226002.db2.gz NZGDYWUKZGMXLK-INIZCTEOSA-N 1 0 352.887 3.590 50 0 FHAARO CCCCc1nnc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000040158607 208240292 /nfs/dbraw/zinc/24/02/92/208240292.db2.gz AKWRWNNBEPEECV-INIZCTEOSA-N 1 0 358.511 3.731 50 0 FHAARO CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1OCc1c(F)cccc1Cl ZINC000040722433 208262534 /nfs/dbraw/zinc/26/25/34/208262534.db2.gz XFJSCKKPGIPLPB-AWEZNQCLSA-N 1 0 367.848 3.927 50 0 FHAARO CCOc1cc(C[NH2+]CCCn2ccnc2)cc(Cl)c1OC(C)C ZINC000040719413 208262653 /nfs/dbraw/zinc/26/26/53/208262653.db2.gz QJNSFFPKHWTEFT-UHFFFAOYSA-N 1 0 351.878 3.902 50 0 FHAARO Clc1cccc(COc2cccc(C[NH2+]CCCN3CCOCC3)c2)c1 ZINC000040720362 208263406 /nfs/dbraw/zinc/26/34/06/208263406.db2.gz OAPSPQUHZQHLNW-UHFFFAOYSA-N 1 0 374.912 3.731 50 0 FHAARO CCOc1cc(C[NH2+]C2CC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040737979 208265957 /nfs/dbraw/zinc/26/59/57/208265957.db2.gz QTOGCLRPJVMODE-UHFFFAOYSA-N 1 0 354.450 3.663 50 0 FHAARO CCOc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1c(F)cccc1Cl ZINC000040744007 208268725 /nfs/dbraw/zinc/26/87/25/208268725.db2.gz WKSSBIMPTQWRHW-CYBMUJFWSA-N 1 0 367.848 3.927 50 0 FHAARO CN(C)c1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000044082295 208310624 /nfs/dbraw/zinc/31/06/24/208310624.db2.gz BXRKZSYDNBALCV-UHFFFAOYSA-N 1 0 352.482 3.539 50 0 FHAARO Brc1ccc2c(ccc(OC3C[NH2+]C3)c2Br)c1 ZINC000042769551 208296685 /nfs/dbraw/zinc/29/66/85/208296685.db2.gz BGGSBCLNPCJKGD-UHFFFAOYSA-N 1 0 357.045 3.715 50 0 FHAARO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2cccc(F)c2)CC1 ZINC000045593791 208336050 /nfs/dbraw/zinc/33/60/50/208336050.db2.gz ZLGJFKNPVXQDKP-UHFFFAOYSA-N 1 0 355.457 3.598 50 0 FHAARO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000044919785 208322259 /nfs/dbraw/zinc/32/22/59/208322259.db2.gz ADSOSEODZGDIPX-UHFFFAOYSA-N 1 0 366.505 3.922 50 0 FHAARO C[C@H](CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1Br ZINC000299739595 208325135 /nfs/dbraw/zinc/32/51/35/208325135.db2.gz QNALOCAVXOGUEW-HZSPNIEDSA-N 1 0 353.304 3.529 50 0 FHAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)C1 ZINC000299739921 208325168 /nfs/dbraw/zinc/32/51/68/208325168.db2.gz SXMMTVPUSKFYNK-INIZCTEOSA-N 1 0 367.493 3.853 50 0 FHAARO CCc1cccc(C)c1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047324452 208375335 /nfs/dbraw/zinc/37/53/35/208375335.db2.gz OPDLWBFWKCPROZ-UHFFFAOYSA-N 1 0 352.482 3.739 50 0 FHAARO CSc1cccc(C[NH+]2CCC(n3cc(-c4cccnc4)nn3)CC2)c1 ZINC000048194506 208390283 /nfs/dbraw/zinc/39/02/83/208390283.db2.gz MRYJUSLYKKWHSO-UHFFFAOYSA-N 1 0 365.506 3.899 50 0 FHAARO O=S(=O)(CC[NH2+]Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000048285643 208395554 /nfs/dbraw/zinc/39/55/54/208395554.db2.gz WXWAPXOAHJJYEX-UHFFFAOYSA-N 1 0 358.290 3.698 50 0 FHAARO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)[C@H](C)C2CC2)c1 ZINC000048287736 208396057 /nfs/dbraw/zinc/39/60/57/208396057.db2.gz XBVRVWDZSKMZDI-MRXNPFEDSA-N 1 0 365.477 3.916 50 0 FHAARO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000048331721 208399727 /nfs/dbraw/zinc/39/97/27/208399727.db2.gz NVXGPWPUHQINDK-GOEBONIOSA-N 1 0 372.513 3.585 50 0 FHAARO CC(=O)Nc1ccc(Cl)c(C(=O)N(C)CCC[NH+]2CCCCCC2)c1 ZINC000055254952 208471759 /nfs/dbraw/zinc/47/17/59/208471759.db2.gz OCYNUWUUWAMVCB-UHFFFAOYSA-N 1 0 365.905 3.637 50 0 FHAARO FC(F)CN1CCC([NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000057977585 208514711 /nfs/dbraw/zinc/51/47/11/208514711.db2.gz OQWCETLDGKWBMJ-UHFFFAOYSA-N 1 0 360.408 3.642 50 0 FHAARO CC(C)(C)c1ncc(C(=O)NCc2ccccc2C[NH+]2CCCC2)s1 ZINC000058391514 208583173 /nfs/dbraw/zinc/58/31/73/208583173.db2.gz AVSYLZALYLHJIP-UHFFFAOYSA-N 1 0 357.523 3.966 50 0 FHAARO C[NH+](C)CCn1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)n1 ZINC000062582287 208604299 /nfs/dbraw/zinc/60/42/99/208604299.db2.gz FSMDYLICLONPPT-UHFFFAOYSA-N 1 0 358.442 3.565 50 0 FHAARO C[NH+]1CCC(N(Cc2nc3c(s2)CCCC3)Cc2ccncc2)CC1 ZINC000065371695 208667337 /nfs/dbraw/zinc/66/73/37/208667337.db2.gz HAESWIOGWDUUCI-UHFFFAOYSA-N 1 0 356.539 3.513 50 0 FHAARO [NH3+]CCCCCn1cnc(-c2ccccc2)c1-c1ccccc1OCCO ZINC000065385528 208671423 /nfs/dbraw/zinc/67/14/23/208671423.db2.gz XGYCGNVUVNAZEQ-UHFFFAOYSA-N 1 0 365.477 3.717 50 0 FHAARO COc1cc2c(cc1-c1c(-c3ccccc3)ncn1CCCC[NH3+])OCO2 ZINC000065384938 208671971 /nfs/dbraw/zinc/67/19/71/208671971.db2.gz VTWDUMKGXGGSCZ-UHFFFAOYSA-N 1 0 365.433 3.693 50 0 FHAARO CC(C)(C)c1ncc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000067479094 208706332 /nfs/dbraw/zinc/70/63/32/208706332.db2.gz ATZAXJPERZMWOG-UHFFFAOYSA-N 1 0 357.523 3.835 50 0 FHAARO Cc1[nH]c2c(cccc2C[NH+]2CCC(c3cc(=O)[nH]c(C)n3)CC2)c1C ZINC000072137210 208805554 /nfs/dbraw/zinc/80/55/54/208805554.db2.gz CUYFENRVLWEOOU-UHFFFAOYSA-N 1 0 350.466 3.968 50 0 FHAARO Cc1cccc(-c2ccc(CN3CC[C@H]4[NH2+]CCC[C@]4(CO)C3)cc2)c1 ZINC000072149232 208810287 /nfs/dbraw/zinc/81/02/87/208810287.db2.gz JGLAJLYTPCOTQP-DHIUTWEWSA-N 1 0 350.506 3.598 50 0 FHAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000091848981 209000550 /nfs/dbraw/zinc/00/05/50/209000550.db2.gz MOFCQNLJTPKNGP-UHFFFAOYSA-N 1 0 372.553 3.615 50 0 FHAARO Fc1ccc(OCCC[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3)cc1 ZINC000091872737 209002811 /nfs/dbraw/zinc/00/28/11/209002811.db2.gz TTYLNBSBTBAYHM-GHTZIAJQSA-N 1 0 369.484 3.586 50 0 FHAARO CCN1CC2(CCC1=O)CC[NH+](Cc1cccc(OC(F)F)c1)CC2 ZINC000091679730 208990495 /nfs/dbraw/zinc/99/04/95/208990495.db2.gz XPIGVVFSGTWOJP-UHFFFAOYSA-N 1 0 352.425 3.513 50 0 FHAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](CC1CCCC1)CC2 ZINC000091745220 208994221 /nfs/dbraw/zinc/99/42/21/208994221.db2.gz XHXWCUCDGUWUKY-UHFFFAOYSA-N 1 0 362.464 3.970 50 0 FHAARO CCn1ccnc1[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3F)c2)C1 ZINC000091988306 209009214 /nfs/dbraw/zinc/00/92/14/209009214.db2.gz FELZKGYLRYBGFA-QGZVFWFLSA-N 1 0 353.445 3.607 50 0 FHAARO Cc1noc2ncnc(NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCC3)c12 ZINC000091998184 209011403 /nfs/dbraw/zinc/01/14/03/209011403.db2.gz ZKMSCIMHWWXEAF-OAHLLOKOSA-N 1 0 357.845 3.829 50 0 FHAARO COc1ccc(OC)c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000092028534 209012444 /nfs/dbraw/zinc/01/24/44/209012444.db2.gz QVZSCEXXAOQDDN-PZJWPPBQSA-N 1 0 366.505 3.800 50 0 FHAARO c1cn(Cc2nnc(C3CC[NH+](C4CCCCCC4)CC3)n2C2CC2)cn1 ZINC000092028984 209012932 /nfs/dbraw/zinc/01/29/32/209012932.db2.gz CLMYYTBMDVNSTI-UHFFFAOYSA-N 1 0 368.529 3.760 50 0 FHAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000092066623 209016531 /nfs/dbraw/zinc/01/65/31/209016531.db2.gz UDLOXIBIGJJJMN-IBGZPJMESA-N 1 0 366.427 3.930 50 0 FHAARO O=c1cc(C[NH+]2CCC([C@H](O)c3cccs3)CC2)[nH]c2ccccc12 ZINC000092065868 209017216 /nfs/dbraw/zinc/01/72/16/209017216.db2.gz BBMUDYAMNSDXTN-FQEVSTJZSA-N 1 0 354.475 3.948 50 0 FHAARO CCC[C@H](O)C[N@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101095 209021425 /nfs/dbraw/zinc/02/14/25/209021425.db2.gz COMNCEHONISSOD-QFIPXVFZSA-N 1 0 371.521 3.654 50 0 FHAARO O=C(c1ccccc1F)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095356046 209026308 /nfs/dbraw/zinc/02/63/08/209026308.db2.gz VIGRPQAYEDLDLW-CEWLAPEOSA-N 1 0 368.427 3.667 50 0 FHAARO COc1ccccc1CN(C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000095358893 209027101 /nfs/dbraw/zinc/02/71/01/209027101.db2.gz LBOASEVOPMFJDJ-LJQANCHMSA-N 1 0 364.489 3.967 50 0 FHAARO CN(Cc1ccnc2ccccc12)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095360509 209028178 /nfs/dbraw/zinc/02/81/78/209028178.db2.gz VPCZXXJGODICLL-IBGZPJMESA-N 1 0 359.473 3.974 50 0 FHAARO O=C(c1ccon1)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095360247 209028405 /nfs/dbraw/zinc/02/84/05/209028405.db2.gz KZUCUEIYMDCEJD-SFHVURJKSA-N 1 0 365.477 3.549 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000095363149 209029967 /nfs/dbraw/zinc/02/99/67/209029967.db2.gz PYIUQWYBELPHRA-QFBILLFUSA-N 1 0 363.933 3.598 50 0 FHAARO Cn1ccnc1CN1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095390198 209045354 /nfs/dbraw/zinc/04/53/54/209045354.db2.gz MUSBPSIKIOSSES-FQEVSTJZSA-N 1 0 364.537 3.654 50 0 FHAARO c1csc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000095388611 209045490 /nfs/dbraw/zinc/04/54/90/209045490.db2.gz LLLIBDZGCRGOHI-IOMROCGXSA-N 1 0 368.502 3.539 50 0 FHAARO COc1nc(C)cc(C)c1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095367942 209033049 /nfs/dbraw/zinc/03/30/49/209033049.db2.gz MQSLNMLOIYYWCI-UHFFFAOYSA-N 1 0 367.493 3.623 50 0 FHAARO Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)s1 ZINC000095367506 209033629 /nfs/dbraw/zinc/03/36/29/209033629.db2.gz OBKMDLMZJVFBBB-PWRODBHTSA-N 1 0 354.519 3.824 50 0 FHAARO COCc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)s1 ZINC000095376802 209038398 /nfs/dbraw/zinc/03/83/98/209038398.db2.gz YANPUCNHBXJEGL-QZTJIDSGSA-N 1 0 370.518 3.631 50 0 FHAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000095383253 209042299 /nfs/dbraw/zinc/04/22/99/209042299.db2.gz CGNOUZJJJZKXHW-LBXVMSDZSA-N 1 0 368.525 3.827 50 0 FHAARO CCCSCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000095391509 209047304 /nfs/dbraw/zinc/04/73/04/209047304.db2.gz PEBNDWLDHJKAQC-LJQANCHMSA-N 1 0 360.567 3.858 50 0 FHAARO Cc1ccc(O)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000095392375 209048166 /nfs/dbraw/zinc/04/81/66/209048166.db2.gz KYLGKVDTWMPNRI-PKOBYXMFSA-N 1 0 368.452 3.576 50 0 FHAARO COc1ccc(Br)cc1CNc1c[nH+]ccc1-n1cc(C)cn1 ZINC000095443040 209050598 /nfs/dbraw/zinc/05/05/98/209050598.db2.gz BCDPPSDQSCMAMH-UHFFFAOYSA-N 1 0 373.254 3.959 50 0 FHAARO CC(C)COC[C@H](O)C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000095454545 209052392 /nfs/dbraw/zinc/05/23/92/209052392.db2.gz KDJPGGLNUZZXNV-ATKRNPRHSA-N 1 0 363.542 3.563 50 0 FHAARO COc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000095457007 209054303 /nfs/dbraw/zinc/05/43/03/209054303.db2.gz WTEDKEBKTKQMJS-INIZCTEOSA-N 1 0 364.486 3.535 50 0 FHAARO C[NH+]1CCC(Oc2ccc(NC(=O)NCCCc3ccccc3)cc2)CC1 ZINC000095497603 209060267 /nfs/dbraw/zinc/06/02/67/209060267.db2.gz FVEKHXOUPUIHDS-UHFFFAOYSA-N 1 0 367.493 3.914 50 0 FHAARO Cc1ccc(NC(=O)[C@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c(F)c1 ZINC000055403525 221069820 /nfs/dbraw/zinc/06/98/20/221069820.db2.gz IHCMKOHQXLWRIA-ZDUSSCGKSA-N 1 0 370.403 3.780 50 0 FHAARO Cc1cccc2c1ccn2CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000061718463 221134677 /nfs/dbraw/zinc/13/46/77/221134677.db2.gz GGAPHOWEPVFPIW-UHFFFAOYSA-N 1 0 361.489 3.731 50 0 FHAARO O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000070036511 221330371 /nfs/dbraw/zinc/33/03/71/221330371.db2.gz IPVKQAFLSHPNNC-IXDOHACOSA-N 1 0 369.431 3.531 50 0 FHAARO Cc1nn(C)c2nc(N(C)Cc3ccccc3C[NH+]3CCCC3)sc12 ZINC000095509233 209066831 /nfs/dbraw/zinc/06/68/31/209066831.db2.gz BBJBWTQSSQFHBS-UHFFFAOYSA-N 1 0 355.511 3.570 50 0 FHAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1cccn1C ZINC000095510703 209068316 /nfs/dbraw/zinc/06/83/16/209068316.db2.gz OMMCOPJBXDJJPS-UHFFFAOYSA-N 1 0 367.537 3.750 50 0 FHAARO O=C1[C@@H](c2ccccc2)CC2(CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000091713852 132203386 /nfs/dbraw/zinc/20/33/86/132203386.db2.gz SZFLTSFOGPLNFM-OAQYLSRUSA-N 1 0 361.489 3.847 50 0 FHAARO C[NH+](C)C1CCN(c2c(Br)cccc2C(F)(F)F)CC1 ZINC000095080844 132206632 /nfs/dbraw/zinc/20/66/32/132206632.db2.gz PDBUGXLUQMPJBY-UHFFFAOYSA-N 1 0 351.210 3.998 50 0 FHAARO CC[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccnn1C ZINC000095366820 132208399 /nfs/dbraw/zinc/20/83/99/132208399.db2.gz SNTYJBSSBSCTDU-OAHLLOKOSA-N 1 0 367.419 3.544 50 0 FHAARO C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000095458266 132211281 /nfs/dbraw/zinc/21/12/81/132211281.db2.gz ZKIAZZXFYPZNPQ-GOSISDBHSA-N 1 0 363.505 3.704 50 0 FHAARO Cc1cc(N2CCC([NH2+][C@H]3CCSC3)CC2)nc(-c2ccccc2)n1 ZINC000095497273 132211780 /nfs/dbraw/zinc/21/17/80/132211780.db2.gz PRFPPMKLVAASRF-SFHVURJKSA-N 1 0 354.523 3.516 50 0 FHAARO Cc1nc2sccc2c(N2CCC([NH2+][C@@H]3COC4(CCCC4)C3)CC2)n1 ZINC000095498957 132211965 /nfs/dbraw/zinc/21/19/65/132211965.db2.gz OHSAGUFCTQMDON-INIZCTEOSA-N 1 0 372.538 3.660 50 0 FHAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(c1nccc3ccccc31)CC2 ZINC000095505249 132212493 /nfs/dbraw/zinc/21/24/93/132212493.db2.gz ZCPDZTYORJHOOI-UHFFFAOYSA-N 1 0 361.493 3.722 50 0 FHAARO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000096012974 132217073 /nfs/dbraw/zinc/21/70/73/132217073.db2.gz FBGGHUSTSPHKGF-NRFANRHFSA-N 1 0 371.569 3.872 50 0 FHAARO OCC[C@H]1CN(c2cc(C(F)(F)F)ccn2)CC[N@@H+]1CC1CCCCC1 ZINC000107008617 132240483 /nfs/dbraw/zinc/24/04/83/132240483.db2.gz UPYXNVHJKWKWRJ-KRWDZBQOSA-N 1 0 371.447 3.554 50 0 FHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccccc2)CC1 ZINC000005089690 132256219 /nfs/dbraw/zinc/25/62/19/132256219.db2.gz PCCKMFINWWYNPC-UHFFFAOYSA-N 1 0 357.885 3.663 50 0 FHAARO Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000001064755 132379836 /nfs/dbraw/zinc/37/98/36/132379836.db2.gz FWRULXBCHJFCIB-UHFFFAOYSA-N 1 0 357.885 3.799 50 0 FHAARO CCCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3cc[nH+]cc3)C2)cc1 ZINC000033128901 136117377 /nfs/dbraw/zinc/11/73/77/136117377.db2.gz DBACIBHEQSBQHS-LJQANCHMSA-N 1 0 367.493 3.793 50 0 FHAARO CC(C)CC1([NH2+]C2CCN(c3cccc(N4CCCC4=O)c3)CC2)CC1 ZINC000048175336 136122995 /nfs/dbraw/zinc/12/29/95/136122995.db2.gz FTSXKMMMWGXTRB-UHFFFAOYSA-N 1 0 355.526 3.951 50 0 FHAARO OCC[C@@H]1CN(c2ccnc3ccc(Cl)cc32)CC[N@@H+]1C1CCCC1 ZINC000072480576 136149669 /nfs/dbraw/zinc/14/96/69/136149669.db2.gz XRGFHCPHVDLLQF-QGZVFWFLSA-N 1 0 359.901 3.704 50 0 FHAARO COc1cc(C[N@@H+]2CCCC23CCN(c2ccccn2)CC3)ccc1F ZINC000072480161 136149701 /nfs/dbraw/zinc/14/97/01/136149701.db2.gz AQBHGCYAHKLZAQ-UHFFFAOYSA-N 1 0 355.457 3.864 50 0 FHAARO CCOc1ccccc1NC(=O)N1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000095522752 209074238 /nfs/dbraw/zinc/07/42/38/209074238.db2.gz XTGJSDNEBKSSSD-AZUAARDMSA-N 1 0 367.493 3.955 50 0 FHAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](CCCO)CC1 ZINC000095522235 209074405 /nfs/dbraw/zinc/07/44/05/209074405.db2.gz PJJMGNGIEZPZGF-UHFFFAOYSA-N 1 0 372.440 3.651 50 0 FHAARO Cc1nn(C)c2nc(N(C)CC3CC[NH+](Cc4ccccc4)CC3)sc12 ZINC000095524516 209075769 /nfs/dbraw/zinc/07/57/69/209075769.db2.gz XIPGVHKZBOJLJZ-UHFFFAOYSA-N 1 0 369.538 3.687 50 0 FHAARO O=C(c1cc2sccc2[nH]1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000426490426 263605547 /nfs/dbraw/zinc/60/55/47/263605547.db2.gz XOJMUTNFBAAKCZ-FQEVSTJZSA-N 1 0 357.523 3.958 50 0 FHAARO CC[C@@H](NC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1)c1cccs1 ZINC000426496645 263607898 /nfs/dbraw/zinc/60/78/98/263607898.db2.gz GBTWURNLXVAOQI-QGZVFWFLSA-N 1 0 358.511 3.825 50 0 FHAARO CC(C)[NH+]1CCC(CCNC(=O)N(C)Cc2cccc3cnccc32)CC1 ZINC000426588777 263640617 /nfs/dbraw/zinc/64/06/17/263640617.db2.gz BBOIJWUVYIQZIV-UHFFFAOYSA-N 1 0 368.525 3.887 50 0 FHAARO CC(=O)NCc1cc2n(n1)CCN(Cc1ccc(-c3ccccc3C)cc1)C2 ZINC000082166304 519674858 /nfs/dbraw/zinc/67/48/58/519674858.db2.gz AVOBIPRDVSISKP-UHFFFAOYSA-N 1 0 374.488 3.510 50 0 FHAARO CC(C)c1csc(CN2CCC[C@@H]([N@H+](C)CCc3ccccn3)C2)n1 ZINC000020207699 519853266 /nfs/dbraw/zinc/85/32/66/519853266.db2.gz DKLMIHTZRUCABA-GOSISDBHSA-N 1 0 358.555 3.800 50 0 FHAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCCN1CCOCC1 ZINC000020967955 520297725 /nfs/dbraw/zinc/29/77/25/520297725.db2.gz IWHHAWHTRVJQTL-UHFFFAOYSA-N 1 0 361.313 3.594 50 0 FHAARO CCCc1cc(C(=O)NC[C@H](c2ccccc2C)[NH+]2CCC(C)CC2)[nH]n1 ZINC000091616326 521359845 /nfs/dbraw/zinc/35/98/45/521359845.db2.gz NINVFSHACWHDKD-OAQYLSRUSA-N 1 0 368.525 3.874 50 0 FHAARO CCC(C)(C)c1ccc(OCCOCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000020639545 521370746 /nfs/dbraw/zinc/37/07/46/521370746.db2.gz SKJBLDAKMASRNC-UHFFFAOYSA-N 1 0 368.949 3.670 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000020865407 521657550 /nfs/dbraw/zinc/65/75/50/521657550.db2.gz IKVPIUPOEQLQHH-INIZCTEOSA-N 1 0 372.538 3.501 50 0 FHAARO CCCn1nc(C)c(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000084759124 521666229 /nfs/dbraw/zinc/66/62/29/521666229.db2.gz NQDACRPOXQTPRW-UHFFFAOYSA-N 1 0 368.525 3.613 50 0 FHAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(Cc2ccc(SC3CCCCC3)o2)C1 ZINC000091382157 521882117 /nfs/dbraw/zinc/88/21/17/521882117.db2.gz WHHGPGORCGCXLJ-SJORKVTESA-N 1 0 366.571 3.696 50 0 FHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cnc(C3CC3)nc2)cc1 ZINC000082109076 521908630 /nfs/dbraw/zinc/90/86/30/521908630.db2.gz VRNGEEVVVQVVSM-FQEVSTJZSA-N 1 0 364.493 3.783 50 0 FHAARO COC(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)OC ZINC000012585717 522537794 /nfs/dbraw/zinc/53/77/94/522537794.db2.gz XMLBPCMXOQOFDR-UHFFFAOYSA-N 1 0 371.868 3.901 50 0 FHAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2ccccc2C)CC1 ZINC000082109485 523189615 /nfs/dbraw/zinc/18/96/15/523189615.db2.gz XORJLKLUAMXRQX-UHFFFAOYSA-N 1 0 367.541 3.582 50 0 FHAARO COCCC[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000091441712 523493570 /nfs/dbraw/zinc/49/35/70/523493570.db2.gz RMELHTOVWMKOTO-LJQANCHMSA-N 1 0 358.526 3.951 50 0 FHAARO CCn1nc(C)c(C[NH2+][C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1C ZINC000020775116 523645056 /nfs/dbraw/zinc/64/50/56/523645056.db2.gz NBUWZNXMVPDNQR-LJQANCHMSA-N 1 0 360.933 3.927 50 0 FHAARO CN(C(=O)c1c[nH]nc1C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000091664028 523916401 /nfs/dbraw/zinc/91/64/01/523916401.db2.gz TXJAPDWLHZFBJA-LJQANCHMSA-N 1 0 366.509 3.804 50 0 FHAARO COc1ccc(C[N@H+](C)Cc2cccc3cnccc32)c(OC)c1OC ZINC000020783039 524006684 /nfs/dbraw/zinc/00/66/84/524006684.db2.gz ZLEPEHUAJHLLRS-UHFFFAOYSA-N 1 0 352.434 3.893 50 0 FHAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(CSc3ccccn3)cc1)C2 ZINC000091603799 524026633 /nfs/dbraw/zinc/02/66/33/524026633.db2.gz PWHDGEDKSOEUCC-IEBWSBKVSA-N 1 0 367.518 3.540 50 0 FHAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Nc3cc(F)ccc3F)C2)cc1 ZINC000020889907 524469389 /nfs/dbraw/zinc/46/93/89/524469389.db2.gz HMLCYDIGVFLPGQ-MRXNPFEDSA-N 1 0 359.420 3.917 50 0 FHAARO Cc1cccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000020890050 524632427 /nfs/dbraw/zinc/63/24/27/524632427.db2.gz OMBKSHCILMJAEN-UHFFFAOYSA-N 1 0 366.509 3.637 50 0 FHAARO CC(=O)c1cc(C[N@@H+]2CCCC23CCN(c2ccccn2)CC3)cs1 ZINC000072430724 534817447 /nfs/dbraw/zinc/81/74/47/534817447.db2.gz SNGOXWKYPBTMIK-UHFFFAOYSA-N 1 0 355.507 3.981 50 0 FHAARO Cc1ccc(NC(=O)CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019853629 525034002 /nfs/dbraw/zinc/03/40/02/525034002.db2.gz OTRXMCGDEVYTFQ-VMPITWQZSA-N 1 0 363.505 3.655 50 0 FHAARO Cc1ccccc1OC1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000082092409 525277663 /nfs/dbraw/zinc/27/76/63/525277663.db2.gz HULOSDFESOAAPP-UHFFFAOYSA-N 1 0 364.489 3.884 50 0 FHAARO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1csc(NC2CC2)n1)c1ccccc1 ZINC000078995651 525385842 /nfs/dbraw/zinc/38/58/42/525385842.db2.gz MYMMBCAVKFFYMN-CYBMUJFWSA-N 1 0 358.511 3.577 50 0 FHAARO C[C@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000089904802 525476362 /nfs/dbraw/zinc/47/63/62/525476362.db2.gz ULYWQBGCLZCOHM-KBXCAEBGSA-N 1 0 371.506 3.972 50 0 FHAARO C[C@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000089904800 525476662 /nfs/dbraw/zinc/47/66/62/525476662.db2.gz ULYWQBGCLZCOHM-KSSFIOAISA-N 1 0 371.506 3.972 50 0 FHAARO CSCCC[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@H]3C)cc2)CC1 ZINC000020540093 525477661 /nfs/dbraw/zinc/47/76/61/525477661.db2.gz HSSJAPADXZGOBK-MRXNPFEDSA-N 1 0 361.555 3.513 50 0 FHAARO C[C@@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000089904803 525552154 /nfs/dbraw/zinc/55/21/54/525552154.db2.gz ULYWQBGCLZCOHM-RDTXWAMCSA-N 1 0 371.506 3.972 50 0 FHAARO Cc1c(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cnn1C ZINC000019812681 525704163 /nfs/dbraw/zinc/70/41/63/525704163.db2.gz MBBGRTAKBPDCNG-HNNXBMFYSA-N 1 0 365.399 3.842 50 0 FHAARO Cc1ccc(-n2cccn2)c(C[N@@H+](Cc2ccncc2)C[C@H]2CCCO2)c1 ZINC000216484459 525912949 /nfs/dbraw/zinc/91/29/49/525912949.db2.gz NWWNJAMGCKTWHZ-OAQYLSRUSA-N 1 0 362.477 3.757 50 0 FHAARO CSc1nnc(CC2CC[NH+](CC[C@H](C)c3ccc(C)o3)CC2)n1C ZINC000082099925 526226756 /nfs/dbraw/zinc/22/67/56/526226756.db2.gz GISFNWRUKYNITL-AWEZNQCLSA-N 1 0 362.543 3.887 50 0 FHAARO Fc1cccc(-c2ccc(N3CCC([NH2+]CCn4cccn4)CC3)cc2)c1 ZINC000019840910 526379630 /nfs/dbraw/zinc/37/96/30/526379630.db2.gz NZKFJBTWGRBKAT-UHFFFAOYSA-N 1 0 364.468 3.948 50 0 FHAARO O=C(CCN1CC[NH+](Cc2cccc3ccccc32)CC1)Nc1ccccc1 ZINC000019900012 526488820 /nfs/dbraw/zinc/48/88/20/526488820.db2.gz NOGJNRXWDOJHFA-UHFFFAOYSA-N 1 0 373.500 3.986 50 0 FHAARO O=C(CCn1ccc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020903575 526673334 /nfs/dbraw/zinc/67/33/34/526673334.db2.gz KFZMTKPCAJZKSR-UHFFFAOYSA-N 1 0 361.489 3.812 50 0 FHAARO O=C1CC2(CN1C/C=C/c1ccccc1)CC[NH+](Cc1ccco1)CC2 ZINC000091655929 526962974 /nfs/dbraw/zinc/96/29/74/526962974.db2.gz JTEGIYKPMRYMLA-XBXARRHUSA-N 1 0 350.462 3.808 50 0 FHAARO O=C1CCC2(CC[NH+](CCOCc3ccccc3)CC2)CN1C1CCCC1 ZINC000091320348 526965360 /nfs/dbraw/zinc/96/53/60/526965360.db2.gz KOLGWMFVCHXKNM-UHFFFAOYSA-N 1 0 370.537 3.850 50 0 FHAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000178575840 527238570 /nfs/dbraw/zinc/23/85/70/527238570.db2.gz VNGGKTNPLKVUBJ-FMBMQGQPSA-N 1 0 366.305 3.545 50 0 FHAARO Cc1ncsc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091486881 527479977 /nfs/dbraw/zinc/47/99/77/527479977.db2.gz GVSZBDYJOPHWJL-RBUKOAKNSA-N 1 0 369.534 3.621 50 0 FHAARO Cc1ncsc1CCC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000082136871 527484350 /nfs/dbraw/zinc/48/43/50/527484350.db2.gz MVNJUESGMPHQTM-UHFFFAOYSA-N 1 0 371.550 3.551 50 0 FHAARO OCC[C@H]1CN(Cc2c(F)cccc2Cl)CC[N@@H+]1C1CCCCC1 ZINC000020919426 527573577 /nfs/dbraw/zinc/57/35/77/527573577.db2.gz KLHFLLIKLBFKGN-INIZCTEOSA-N 1 0 354.897 3.680 50 0 FHAARO CCCc1cc(C[NH2+]C2CCN(c3cc(C(C)C)nc(C)n3)CC2)on1 ZINC000095505029 535396667 /nfs/dbraw/zinc/39/66/67/535396667.db2.gz YGGGWPDSYTWHIX-UHFFFAOYSA-N 1 0 357.502 3.608 50 0 FHAARO CCCc1cnc(C)nc1N1CCC([NH2+][C@H]2COC3(C2)CCCCC3)CC1 ZINC000095525765 535437678 /nfs/dbraw/zinc/43/76/78/535437678.db2.gz RAMWKCQBVTXHLM-HXUWFJFHSA-N 1 0 372.557 3.788 50 0 FHAARO Fc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)o1 ZINC000215322923 568063848 /nfs/dbraw/zinc/06/38/48/568063848.db2.gz ROFFTFYPTKPQAD-KRWDZBQOSA-N 1 0 358.457 3.772 50 0 FHAARO Fc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)o1 ZINC000215322875 568063859 /nfs/dbraw/zinc/06/38/59/568063859.db2.gz ROFFTFYPTKPQAD-QGZVFWFLSA-N 1 0 358.457 3.772 50 0 FHAARO CC(C)Nc1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000215624756 568080532 /nfs/dbraw/zinc/08/05/32/568080532.db2.gz YPUPVXJQFSCIBO-HXUWFJFHSA-N 1 0 353.514 3.696 50 0 FHAARO CCOc1cc2c(cc1C[NH+]1CCC([C@@H](O)c3ccccn3)CC1)CCC2 ZINC000215798924 568089390 /nfs/dbraw/zinc/08/93/90/568089390.db2.gz GJSJUPMAZZOJEP-HSZRJFAPSA-N 1 0 366.505 3.915 50 0 FHAARO c1ccc(CNc2ncc(CN3CCCC[C@@H]3C[NH+]3CCCC3)cn2)cc1 ZINC000215816863 568090359 /nfs/dbraw/zinc/09/03/59/568090359.db2.gz SLISIEBHDQOJIC-OAQYLSRUSA-N 1 0 365.525 3.539 50 0 FHAARO COc1cccc(-c2ccc(C(=O)N(C)C[C@H]3CCCC[N@@H+]3C)cc2)c1 ZINC000215855043 568092667 /nfs/dbraw/zinc/09/26/67/568092667.db2.gz VETSPNYBYBOKKY-HXUWFJFHSA-N 1 0 352.478 3.919 50 0 FHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(c2nccn2C)CC1 ZINC000215880756 568093822 /nfs/dbraw/zinc/09/38/22/568093822.db2.gz NCGJYBJEOHGHDH-UHFFFAOYSA-N 1 0 367.472 3.741 50 0 FHAARO c1nc(-c2ccccc2)sc1CN1CC[NH+](C2CCSCC2)CC1 ZINC000215939829 568096662 /nfs/dbraw/zinc/09/66/62/568096662.db2.gz KWKQZEUKFSSMDV-UHFFFAOYSA-N 1 0 359.564 3.823 50 0 FHAARO COCc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)s1 ZINC000216037001 568101991 /nfs/dbraw/zinc/10/19/91/568101991.db2.gz WUFXDOGXUXTFME-KRWDZBQOSA-N 1 0 358.507 3.504 50 0 FHAARO COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)s1 ZINC000216203545 568112200 /nfs/dbraw/zinc/11/22/00/568112200.db2.gz PFLRYDUESHXWSY-CQSZACIVSA-N 1 0 369.494 3.625 50 0 FHAARO C[NH+]1CCC(C(=O)NCc2cnc3ccccc3c2)(c2ccccc2)CC1 ZINC000216386606 568121171 /nfs/dbraw/zinc/12/11/71/568121171.db2.gz FZJZKHCZSXCBFF-UHFFFAOYSA-N 1 0 359.473 3.515 50 0 FHAARO Cc1nc([C@H]2CCC[N@H+](Cc3cc(C)cc(C)c3-n3cccn3)C2)no1 ZINC000216446839 568123666 /nfs/dbraw/zinc/12/36/66/568123666.db2.gz ZSCPRVMUUZKHTE-KRWDZBQOSA-N 1 0 351.454 3.560 50 0 FHAARO Cc1cccc(OC2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000220024276 568317161 /nfs/dbraw/zinc/31/71/61/568317161.db2.gz SZLXJUJOMTXGQD-QFIPXVFZSA-N 1 0 364.489 3.639 50 0 FHAARO Cc1cccc(-c2ccccc2C(=O)NCCCOC2CC[NH+](C)CC2)c1 ZINC000223555614 568669108 /nfs/dbraw/zinc/66/91/08/568669108.db2.gz JQMAFQYMUYJAAS-UHFFFAOYSA-N 1 0 366.505 3.893 50 0 FHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000092810961 570448874 /nfs/dbraw/zinc/44/88/74/570448874.db2.gz LNXLIEDKXRVTRZ-UHFFFAOYSA-N 1 0 353.445 3.731 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Br ZINC000000753307 570454790 /nfs/dbraw/zinc/45/47/90/570454790.db2.gz JUAPWVQGEBSCBA-UHFFFAOYSA-N 1 0 373.294 3.844 50 0 FHAARO COc1cc(C[NH2+]Cc2ccc(OC)c(Br)c2)cc(OC)c1 ZINC000001209147 570492914 /nfs/dbraw/zinc/49/29/14/570492914.db2.gz ZYCWZLXZKUTLPX-UHFFFAOYSA-N 1 0 366.255 3.765 50 0 FHAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000001458238 570500632 /nfs/dbraw/zinc/50/06/32/570500632.db2.gz FGGSPQOQORSWMW-NRFANRHFSA-N 1 0 366.505 3.973 50 0 FHAARO Cc1ccc(C)c(C(=O)c2cccc(C[NH+]3CCC4(CC3)OCCO4)c2)c1 ZINC000002515236 570523278 /nfs/dbraw/zinc/52/32/78/570523278.db2.gz XLBVUFNRIBEUKI-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO Ic1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000002880531 570542416 /nfs/dbraw/zinc/54/24/16/570542416.db2.gz IYLBRKSJVOPJDB-UHFFFAOYSA-N 1 0 359.251 3.936 50 0 FHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000248098645 570597180 /nfs/dbraw/zinc/59/71/80/570597180.db2.gz NJEPBOXJFPPUAQ-MJBXVCDLSA-N 1 0 374.909 3.505 50 0 FHAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](C)CC2)c1-c1ccccc1 ZINC000005532831 570629919 /nfs/dbraw/zinc/62/99/19/570629919.db2.gz BOPZIFGDYDKFKQ-UHFFFAOYSA-N 1 0 363.509 3.754 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)c3csc4c3CCCC4)cc2)CC1 ZINC000005345999 570649236 /nfs/dbraw/zinc/64/92/36/570649236.db2.gz WBMROGQZWUSQJT-UHFFFAOYSA-N 1 0 355.507 3.631 50 0 FHAARO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)Cn1ccnc1 ZINC000062254361 570657139 /nfs/dbraw/zinc/65/71/39/570657139.db2.gz SNTAFZVJIOKIIC-INIZCTEOSA-N 1 0 370.884 3.936 50 0 FHAARO COc1ccc([C@]2(O)C[N+](c3cc(C)ccc3C)=C3CCCCN32)cc1 ZINC000002966277 570678940 /nfs/dbraw/zinc/67/89/40/570678940.db2.gz GCFHHIRLATYUIF-JOCHJYFZSA-N 1 0 351.470 3.572 50 0 FHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)c1 ZINC000012073847 570716574 /nfs/dbraw/zinc/71/65/74/570716574.db2.gz QGFXOTQAOIKBGA-AWEZNQCLSA-N 1 0 362.470 3.538 50 0 FHAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)C3=CCCC3)CC2)cc1 ZINC000012073277 570716729 /nfs/dbraw/zinc/71/67/29/570716729.db2.gz BKEKSQOXMMRGBS-UHFFFAOYSA-N 1 0 356.510 3.518 50 0 FHAARO CC(=O)Nc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)cc1 ZINC000012187044 570724719 /nfs/dbraw/zinc/72/47/19/570724719.db2.gz CLARXHXWAWNVFQ-OAQYLSRUSA-N 1 0 356.441 3.965 50 0 FHAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2occc2C)CC1 ZINC000012196805 570726233 /nfs/dbraw/zinc/72/62/33/570726233.db2.gz ICTRWWIEXWAPNF-UHFFFAOYSA-N 1 0 370.493 3.623 50 0 FHAARO Cc1ncc(C[N@@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)s1 ZINC000012714000 570757926 /nfs/dbraw/zinc/75/79/26/570757926.db2.gz FFNLPYFQEALXKB-GOSISDBHSA-N 1 0 350.915 3.922 50 0 FHAARO C[C@@H](NC(=O)CC[N@H+](C)CCOc1ccccc1Cl)c1ccccc1 ZINC000012787963 570761099 /nfs/dbraw/zinc/76/10/99/570761099.db2.gz CTANYJKSQPIVFS-MRXNPFEDSA-N 1 0 360.885 3.918 50 0 FHAARO C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012974361 570769274 /nfs/dbraw/zinc/76/92/74/570769274.db2.gz IOPYAYMWOYNSSO-KRWDZBQOSA-N 1 0 374.488 3.537 50 0 FHAARO C[NH+](C)[C@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)c1cccs1 ZINC000013096424 570773493 /nfs/dbraw/zinc/77/34/93/570773493.db2.gz YUSVSQKKWDYTJS-OAHLLOKOSA-N 1 0 374.897 3.662 50 0 FHAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)c1 ZINC000013595525 570780457 /nfs/dbraw/zinc/78/04/57/570780457.db2.gz HVXNIIQYPDBWGY-INIZCTEOSA-N 1 0 353.418 3.519 50 0 FHAARO CC[NH+](CC)CCNc1nc2sc3c(c2c2nc(C)nn21)C[C@@H](C)CC3 ZINC000013724941 570787195 /nfs/dbraw/zinc/78/71/95/570787195.db2.gz SDAJRYICAWFICR-LBPRGKRZSA-N 1 0 372.542 3.526 50 0 FHAARO Cc1ccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1C ZINC000013777396 570791007 /nfs/dbraw/zinc/79/10/07/570791007.db2.gz ACVWGRLNNREXKP-UHFFFAOYSA-O 1 0 364.444 3.783 50 0 FHAARO CC(C)[C@@H](C[NH+]1CC=CC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013816964 570791917 /nfs/dbraw/zinc/79/19/17/570791917.db2.gz QFAIAMMFKKYCTL-QGZVFWFLSA-N 1 0 355.309 3.891 50 0 FHAARO C[C@H]([NH2+]C1c2ccccc2-c2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000013986990 570800626 /nfs/dbraw/zinc/80/06/26/570800626.db2.gz QWEDRIVILCSXJX-AWEZNQCLSA-N 1 0 364.470 3.755 50 0 FHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)cc1 ZINC000014171328 570810307 /nfs/dbraw/zinc/81/03/07/570810307.db2.gz ODGBKIBXQFDAAE-UHFFFAOYSA-N 1 0 373.294 3.975 50 0 FHAARO COc1cccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1OC(C)C ZINC000014240808 570815359 /nfs/dbraw/zinc/81/53/59/570815359.db2.gz DHCAJQRSYQPXLZ-UHFFFAOYSA-N 1 0 368.477 3.899 50 0 FHAARO CN1CCCc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)sc21 ZINC000065225973 570823313 /nfs/dbraw/zinc/82/33/13/570823313.db2.gz XUWNNDYIKRKJLB-UHFFFAOYSA-N 1 0 369.534 3.525 50 0 FHAARO Cc1ccc2[nH]c(C(=O)N[C@@H]3CCC[N@H+](CCc4ccccc4)C3)cc2c1 ZINC000014951957 570826801 /nfs/dbraw/zinc/82/68/01/570826801.db2.gz GSHTVFWQWVHPSH-HXUWFJFHSA-N 1 0 361.489 3.913 50 0 FHAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1scnc1-c1ccccc1)C2 ZINC000014979351 570828064 /nfs/dbraw/zinc/82/80/64/570828064.db2.gz OLIIAFGPTRTPFH-INIZCTEOSA-N 1 0 352.459 3.912 50 0 FHAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000015062382 570830306 /nfs/dbraw/zinc/83/03/06/570830306.db2.gz RHWKQJQZRWCWMR-QFIPXVFZSA-N 1 0 353.462 3.780 50 0 FHAARO Cc1ncc(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)s1 ZINC000015065301 570830992 /nfs/dbraw/zinc/83/09/92/570830992.db2.gz DDDAJSWYJJXLDN-UHFFFAOYSA-N 1 0 350.915 3.922 50 0 FHAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CC3CCCC3)C2)CC1 ZINC000015080055 570832469 /nfs/dbraw/zinc/83/24/69/570832469.db2.gz DPFFRPPCOFXIJK-OAQYLSRUSA-N 1 0 369.553 3.688 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1cccc(OC)c1)c1ccccc1 ZINC000103384295 570849249 /nfs/dbraw/zinc/84/92/49/570849249.db2.gz BBZHDGLPULHQLI-NALLFNBYSA-N 1 0 352.478 3.908 50 0 FHAARO CCOc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1Cl ZINC000016425975 570855914 /nfs/dbraw/zinc/85/59/14/570855914.db2.gz TYNFZSJGMJQUAD-UHFFFAOYSA-N 1 0 373.884 3.743 50 0 FHAARO COc1ccc2cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c(C)nc2c1 ZINC000016600048 570858667 /nfs/dbraw/zinc/85/86/67/570858667.db2.gz BISKBOBQODJTQG-OAQYLSRUSA-N 1 0 363.461 3.585 50 0 FHAARO CC1CC[NH+](Cc2nc3cc(NC(=O)c4ccco4)ccc3n2C)CC1 ZINC000016649943 570859548 /nfs/dbraw/zinc/85/95/48/570859548.db2.gz CLMIVZVTXSNXFN-UHFFFAOYSA-N 1 0 352.438 3.651 50 0 FHAARO O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1ccccc1Cl ZINC000017015124 570864872 /nfs/dbraw/zinc/86/48/72/570864872.db2.gz BVEVQKLKSSKFHY-UHFFFAOYSA-O 1 0 370.835 3.820 50 0 FHAARO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1c(F)cccc1Cl ZINC000019370712 570887948 /nfs/dbraw/zinc/88/79/48/570887948.db2.gz BLMLURKILFRCRZ-UHFFFAOYSA-N 1 0 366.864 3.718 50 0 FHAARO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000106922515 570894232 /nfs/dbraw/zinc/89/42/32/570894232.db2.gz ZTWSFFSBFYQQQV-CABCVRRESA-N 1 0 371.447 3.696 50 0 FHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2N(C)C)C1 ZINC000107340232 570896177 /nfs/dbraw/zinc/89/61/77/570896177.db2.gz VKBNHXRZQXTXJM-SJLPKXTDSA-N 1 0 352.482 3.710 50 0 FHAARO COc1ccc(CN(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1O ZINC000019743355 570901822 /nfs/dbraw/zinc/90/18/22/570901822.db2.gz WASJSOHWBOCRGS-HXUWFJFHSA-N 1 0 354.494 3.540 50 0 FHAARO CCC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(c3cc(C)ccn3)CC2)[C@H]1O ZINC000019794386 570903340 /nfs/dbraw/zinc/90/33/40/570903340.db2.gz VSLAVQJOPBVEPK-YADHBBJMSA-N 1 0 365.521 3.686 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 ZINC000020096551 570910015 /nfs/dbraw/zinc/91/00/15/570910015.db2.gz UZDPZGNHXHYMRI-UHFFFAOYSA-N 1 0 363.505 3.889 50 0 FHAARO C[NH+](C)CCCN1C(=O)c2ccc(Cl)c3c(Cl)ccc(c23)C1=O ZINC000020215512 570913641 /nfs/dbraw/zinc/91/36/41/570913641.db2.gz YJWCBYZKGASXGP-UHFFFAOYSA-N 1 0 351.233 3.694 50 0 FHAARO Cc1ccc(C[NH+]2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)cc1 ZINC000020367267 570915081 /nfs/dbraw/zinc/91/50/81/570915081.db2.gz WTWMZWTYCQJKGV-UHFFFAOYSA-N 1 0 362.473 3.728 50 0 FHAARO CN(C)CC[NH2+]CCOCCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000020418919 570915371 /nfs/dbraw/zinc/91/53/71/570915371.db2.gz TVBMWGGFUGDBBF-UHFFFAOYSA-N 1 0 370.537 3.559 50 0 FHAARO c1cnn(-c2cccc(C[NH2+][C@@H]3CCCN(C4Cc5ccccc5C4)C3)c2)c1 ZINC000020451569 570916490 /nfs/dbraw/zinc/91/64/90/570916490.db2.gz RIWCCBYRIYBRGC-JOCHJYFZSA-N 1 0 372.516 3.594 50 0 FHAARO CCC[N@@H+]1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000020536828 570919170 /nfs/dbraw/zinc/91/91/70/570919170.db2.gz IUGDWYCKZRIDQG-SFHVURJKSA-N 1 0 355.448 3.702 50 0 FHAARO COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000021321432 570929484 /nfs/dbraw/zinc/92/94/84/570929484.db2.gz ZZRANOKHGZCKNI-UHFFFAOYSA-N 1 0 373.884 3.661 50 0 FHAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]5O[C@@H]5C[C@@]43C)[C@@H]1C[C@H]([NH+]1CCCC1)[C@@H]2O ZINC000022010902 570937289 /nfs/dbraw/zinc/93/72/89/570937289.db2.gz OPYVYACKKDTREB-NXECLLCESA-N 1 0 359.554 3.842 50 0 FHAARO Clc1ccc(COc2ccc(C[NH2+]CCCN3CCOCC3)cc2)cc1 ZINC000022074026 570938980 /nfs/dbraw/zinc/93/89/80/570938980.db2.gz VNLUISLWIRXBDL-UHFFFAOYSA-N 1 0 374.912 3.731 50 0 FHAARO CC(C)c1cc(C(=O)NCC[NH+](C(C)C)C(C)C)c2cnn(C(C)C)c2n1 ZINC000022623218 570947929 /nfs/dbraw/zinc/94/79/29/570947929.db2.gz CWHZIPQFNVIMMK-UHFFFAOYSA-N 1 0 373.545 3.984 50 0 FHAARO CCC(CC)[C@@H](CNC(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000022755356 570949255 /nfs/dbraw/zinc/94/92/55/570949255.db2.gz NLCRDKSVGAVZKT-QGZVFWFLSA-N 1 0 373.324 3.860 50 0 FHAARO COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000022766883 570949573 /nfs/dbraw/zinc/94/95/73/570949573.db2.gz WTUMLFREYMXMKQ-CQSZACIVSA-N 1 0 353.875 3.835 50 0 FHAARO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000048356052 570949987 /nfs/dbraw/zinc/94/99/87/570949987.db2.gz GFINUNSCPIVRMD-UHFFFAOYSA-N 1 0 367.276 3.864 50 0 FHAARO O=C(Cc1ccc2ccccc2c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000048356175 570950208 /nfs/dbraw/zinc/95/02/08/570950208.db2.gz MUOOOZPGZSKIIO-UHFFFAOYSA-N 1 0 359.473 3.558 50 0 FHAARO O=C(c1ccccc1)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000032541533 570952354 /nfs/dbraw/zinc/95/23/54/570952354.db2.gz KNMIBDHVTIJEQG-NQIIRXRSSA-N 1 0 352.453 3.999 50 0 FHAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000022936081 570953683 /nfs/dbraw/zinc/95/36/83/570953683.db2.gz DZTUXFXXAFSYLR-FQEVSTJZSA-N 1 0 372.484 3.987 50 0 FHAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000023115499 570956449 /nfs/dbraw/zinc/95/64/49/570956449.db2.gz CKSPQZJMLYBIJI-OAQYLSRUSA-N 1 0 368.521 3.680 50 0 FHAARO COc1cc(OC)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(C)C)C2)c(OC)c1 ZINC000023129970 570956855 /nfs/dbraw/zinc/95/68/55/570956855.db2.gz ZNYHGKCYZNUROQ-HNNXBMFYSA-N 1 0 373.497 3.939 50 0 FHAARO C[N@H+](CCCNC(=O)Nc1cccc(-n2cccn2)c1)Cc1ccccc1 ZINC000048553904 570957034 /nfs/dbraw/zinc/95/70/34/570957034.db2.gz XKEBZFBVKYSRDI-UHFFFAOYSA-N 1 0 363.465 3.516 50 0 FHAARO CCN(C)C(=O)c1cc(-c2cnn(-c3cc[nH+]cc3C)c2)nc2ccccc21 ZINC000023145739 570957510 /nfs/dbraw/zinc/95/75/10/570957510.db2.gz XYRXNTLKXYWESD-UHFFFAOYSA-N 1 0 371.444 3.883 50 0 FHAARO COc1cc2ccccc2cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000023243432 570960985 /nfs/dbraw/zinc/96/09/85/570960985.db2.gz WCNGLYKQWKVZKW-QGZVFWFLSA-N 1 0 354.475 3.943 50 0 FHAARO OCC[C@H]1CN(C/C=C/c2ccc(F)cc2)CC[N@@H+]1CC1CCCCC1 ZINC000023360314 570961909 /nfs/dbraw/zinc/96/19/09/570961909.db2.gz PINSUWQOKRITLS-SNXGKTBFSA-N 1 0 360.517 3.788 50 0 FHAARO OCC[C@@H]1CN(Cc2cccc3cnccc32)CC[N@@H+]1CC1CCCCC1 ZINC000023373172 570962656 /nfs/dbraw/zinc/96/26/56/570962656.db2.gz JAQZJPCZJWIYOJ-JOCHJYFZSA-N 1 0 367.537 3.684 50 0 FHAARO CCC[C@H](NC(=O)[C@@H](C)[NH2+]CCOc1ccccc1F)c1ccccc1 ZINC000049581036 570965071 /nfs/dbraw/zinc/96/50/71/570965071.db2.gz NEYHJMQJMKWEME-APWZRJJASA-N 1 0 358.457 3.840 50 0 FHAARO COc1cccc(NC(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000025061236 570990085 /nfs/dbraw/zinc/99/00/85/570990085.db2.gz RVMYKIPAAHCWTF-QUCCMNQESA-N 1 0 351.450 3.843 50 0 FHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CSc1ccc(F)cc1 ZINC000026567862 571006464 /nfs/dbraw/zinc/00/64/64/571006464.db2.gz KCRQIAWPKPUBRP-UHFFFAOYSA-N 1 0 373.497 3.617 50 0 FHAARO O=C(COc1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027584239 571015216 /nfs/dbraw/zinc/01/52/16/571015216.db2.gz NQPCVYVELNATOU-SFHVURJKSA-N 1 0 358.507 3.860 50 0 FHAARO Cc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1C ZINC000027664294 571018019 /nfs/dbraw/zinc/01/80/19/571018019.db2.gz BKJMWUIJQLACHP-GOSISDBHSA-N 1 0 358.507 3.697 50 0 FHAARO Cc1cccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)c1 ZINC000027663922 571018215 /nfs/dbraw/zinc/01/82/15/571018215.db2.gz WUIKHIBFPMGWRC-GOSISDBHSA-N 1 0 358.507 3.779 50 0 FHAARO O=C(COc1ccc(F)cc1)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027741219 571019544 /nfs/dbraw/zinc/01/95/44/571019544.db2.gz TUMRGTAPDWZFPI-QGZVFWFLSA-N 1 0 362.470 3.609 50 0 FHAARO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000028291494 571030060 /nfs/dbraw/zinc/03/00/60/571030060.db2.gz QCTCXEDSTVROGO-GOSISDBHSA-N 1 0 358.507 3.960 50 0 FHAARO C[C@H](NC(=O)Nc1cnn(-c2ccccc2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000225389725 571032541 /nfs/dbraw/zinc/03/25/41/571032541.db2.gz GGIJBLVRKNCPIV-JXFKEZNVSA-N 1 0 363.465 3.685 50 0 FHAARO O=C(NC1CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000225407078 571033700 /nfs/dbraw/zinc/03/37/00/571033700.db2.gz FQKSKVINDFNZQZ-IRXDYDNUSA-N 1 0 354.416 3.746 50 0 FHAARO C[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCO2)[C@H]1CCc2ccccc21 ZINC000029489197 571040895 /nfs/dbraw/zinc/04/08/95/571040895.db2.gz IYYSEPOFTTZSJG-INIZCTEOSA-N 1 0 358.825 3.627 50 0 FHAARO C[C@H](Nc1cc(-c2ccccc2)nc2ncnn21)[C@@H](c1ccccc1)[NH+](C)C ZINC000225532721 571043677 /nfs/dbraw/zinc/04/36/77/571043677.db2.gz KGYJGBFJDVIJMA-KKSFZXQISA-N 1 0 372.476 3.895 50 0 FHAARO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2cc(-c3ccccc3)on2)c1 ZINC000072289268 571044077 /nfs/dbraw/zinc/04/40/77/571044077.db2.gz UCDPWQSJQDPIRQ-UHFFFAOYSA-N 1 0 363.461 3.652 50 0 FHAARO COc1cccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)[NH+](C)C)c1 ZINC000052839162 571044606 /nfs/dbraw/zinc/04/46/06/571044606.db2.gz YOPFTNDXYJRWJX-GOSISDBHSA-N 1 0 370.424 3.922 50 0 FHAARO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@H](CC)CN1CCSc1ccccc1 ZINC000225572057 571046263 /nfs/dbraw/zinc/04/62/63/571046263.db2.gz RUYPNIUJCUDEDR-QZTJIDSGSA-N 1 0 350.572 3.724 50 0 FHAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc(C(F)(F)F)n2)C1 ZINC000225581781 571047051 /nfs/dbraw/zinc/04/70/51/571047051.db2.gz QDNBQLPKKXMXLB-LLVKDONJSA-N 1 0 363.449 3.792 50 0 FHAARO Cc1ccc(-c2cc3n(n2)[C@H]([NH2+]CCC2=CCCCC2)CNC3=O)cc1 ZINC000263618396 571047506 /nfs/dbraw/zinc/04/75/06/571047506.db2.gz STVOUCKVFZGWJK-FQEVSTJZSA-N 1 0 350.466 3.581 50 0 FHAARO Cc1nc(-c2ccncc2)ncc1[C@H](C)[NH2+]Cc1cccn1-c1cccnc1 ZINC000067603885 571053813 /nfs/dbraw/zinc/05/38/13/571053813.db2.gz WCZBDXQTGSBZAQ-INIZCTEOSA-N 1 0 370.460 3.884 50 0 FHAARO CC(C)(CO)Nc1nc(NC2CCCCC2)[nH+]c(NC2CCCCC2)n1 ZINC000000756478 571068881 /nfs/dbraw/zinc/06/88/81/571068881.db2.gz PRFGRNFNCVYJAU-UHFFFAOYSA-N 1 0 362.522 3.544 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000012767734 571086550 /nfs/dbraw/zinc/08/65/50/571086550.db2.gz CPKLGOUETPUHMD-QGZVFWFLSA-N 1 0 355.438 3.620 50 0 FHAARO O=C1CCCN1c1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000015581123 571090264 /nfs/dbraw/zinc/09/02/64/571090264.db2.gz DTQJABLDSLEWCT-UHFFFAOYSA-N 1 0 372.852 3.528 50 0 FHAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc(F)cc1 ZINC000012772478 571092544 /nfs/dbraw/zinc/09/25/44/571092544.db2.gz JGSQCCZYVFSSPT-UHFFFAOYSA-N 1 0 370.424 3.938 50 0 FHAARO CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 ZINC000245380730 571097866 /nfs/dbraw/zinc/09/78/66/571097866.db2.gz IZROUTVHUSDGCV-NHCUHLMSSA-N 1 0 372.534 3.798 50 0 FHAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1 ZINC000069487812 571098729 /nfs/dbraw/zinc/09/87/29/571098729.db2.gz GYYSPRZXQXSYQU-INIZCTEOSA-N 1 0 363.461 3.957 50 0 FHAARO C[N@H+](C[C@@H](O)COc1ccc(C(=O)c2ccccc2)cc1)C1CCCC1 ZINC000012783137 571099293 /nfs/dbraw/zinc/09/92/93/571099293.db2.gz MERKDHPZGMIWHP-HXUWFJFHSA-N 1 0 353.462 3.532 50 0 FHAARO CSc1cccc(CNC(=O)N(C)[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000426640556 571104875 /nfs/dbraw/zinc/10/48/75/571104875.db2.gz UOZREPLNUKWZNL-IBGZPJMESA-N 1 0 357.523 3.853 50 0 FHAARO C[NH+](C)CCCN(C(=O)c1ccno1)c1nc2ccc(Cl)cc2s1 ZINC000012443807 571105817 /nfs/dbraw/zinc/10/58/17/571105817.db2.gz NRLZTLTUUKSQAN-UHFFFAOYSA-N 1 0 364.858 3.536 50 0 FHAARO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1)N1CCCCC1 ZINC000054991885 571115199 /nfs/dbraw/zinc/11/51/99/571115199.db2.gz PSWQTCPQIOCSJM-MRXNPFEDSA-N 1 0 354.416 3.930 50 0 FHAARO COc1cccc2c1OCCC[N@H+](CCC(=O)N[C@H](C)c1ccccc1)C2 ZINC000244763989 571116184 /nfs/dbraw/zinc/11/61/84/571116184.db2.gz OZFNQZHHEWRZEA-QGZVFWFLSA-N 1 0 368.477 3.547 50 0 FHAARO COc1cccc(-c2cccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000244796092 571117367 /nfs/dbraw/zinc/11/73/67/571117367.db2.gz RSNZRWCHSONQMN-LJQANCHMSA-N 1 0 351.450 3.674 50 0 FHAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)CCCC(=O)c1ccccc1 ZINC000055211613 571117859 /nfs/dbraw/zinc/11/78/59/571117859.db2.gz MKKOAKUUXQPRQV-UHFFFAOYSA-N 1 0 358.507 3.692 50 0 FHAARO COc1ccc(C[N@H+](C)C[C@@H]2CC(c3ccccc3)=NO2)c2cccnc12 ZINC000244866371 571118352 /nfs/dbraw/zinc/11/83/52/571118352.db2.gz VUVXGJLCEZOBCX-SFHVURJKSA-N 1 0 361.445 3.868 50 0 FHAARO CCN(C/C=C/c1ccccc1)C(=O)C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000055270608 571118744 /nfs/dbraw/zinc/11/87/44/571118744.db2.gz BYWCTKBJWLUULC-BLRBJFNZSA-N 1 0 368.477 3.656 50 0 FHAARO Cc1nn(C)c(C)c1C[N@H+](Cc1cccc(Cn2cccn2)c1)C(C)C ZINC000055325179 571119570 /nfs/dbraw/zinc/11/95/70/571119570.db2.gz BYCYIZGJFCJYCD-UHFFFAOYSA-N 1 0 351.498 3.692 50 0 FHAARO Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)c2)cc1 ZINC000055343073 571119625 /nfs/dbraw/zinc/11/96/25/571119625.db2.gz HCPLXBXWVFXURS-NRFANRHFSA-N 1 0 373.456 3.756 50 0 FHAARO Fc1ccc(C[NH2+][C@@H]2CCCc3nc(-c4cccnc4)ncc32)cc1F ZINC000055568973 571120948 /nfs/dbraw/zinc/12/09/48/571120948.db2.gz XTQWEYVAKGBDPU-GOSISDBHSA-N 1 0 352.388 3.984 50 0 FHAARO Fc1ccc(-n2ncc3c2ncnc3N2CCc3sccc3C2)cc1 ZINC000012822195 571123313 /nfs/dbraw/zinc/12/33/13/571123313.db2.gz HDFGFOKBEUALHK-UHFFFAOYSA-N 1 0 351.410 3.579 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)[NH+](C)C)cc1 ZINC000010328844 571125233 /nfs/dbraw/zinc/12/52/33/571125233.db2.gz POAXYOITRRCJAG-JOCHJYFZSA-N 1 0 362.473 3.946 50 0 FHAARO C[C@@H](c1cccnc1)N(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000068405342 571125854 /nfs/dbraw/zinc/12/58/54/571125854.db2.gz PMNKSBOXPSYEOG-SFHVURJKSA-N 1 0 366.509 3.696 50 0 FHAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3Cl)C[C@H]2CCO)cc1 ZINC000104313626 571126165 /nfs/dbraw/zinc/12/61/65/571126165.db2.gz SKLRDKHSBUJWLC-HXUWFJFHSA-N 1 0 358.913 3.717 50 0 FHAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000058163991 571126765 /nfs/dbraw/zinc/12/67/65/571126765.db2.gz OEAGEIRCDNKOPB-LBPRGKRZSA-N 1 0 350.365 3.586 50 0 FHAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)cc1 ZINC000058168829 571127108 /nfs/dbraw/zinc/12/71/08/571127108.db2.gz NZOMONHXPWCRJB-UHFFFAOYSA-N 1 0 352.413 3.568 50 0 FHAARO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C(=O)Nc2cnccn2)CC1 ZINC000058172461 571127247 /nfs/dbraw/zinc/12/72/47/571127247.db2.gz RKPUKCHZOHDUPX-GFCCVEGCSA-N 1 0 362.836 3.681 50 0 FHAARO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1cccc(Cl)c1 ZINC000012848954 571128278 /nfs/dbraw/zinc/12/82/78/571128278.db2.gz SCSWYJOSSXYCJA-CYBMUJFWSA-N 1 0 360.841 3.570 50 0 FHAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CC4CCCC4)C3)C2=O)c1 ZINC000015065793 571129485 /nfs/dbraw/zinc/12/94/85/571129485.db2.gz ZWBSJVHJZAXXGW-JOCHJYFZSA-N 1 0 356.510 3.700 50 0 FHAARO CCOc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)nc2)c1 ZINC000058230106 571130082 /nfs/dbraw/zinc/13/00/82/571130082.db2.gz JLHWBRHRHCKESY-MRXNPFEDSA-N 1 0 368.481 3.641 50 0 FHAARO CC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000058308656 571131044 /nfs/dbraw/zinc/13/10/44/571131044.db2.gz CKIGWSBGBIPDQY-MRXNPFEDSA-N 1 0 353.466 3.916 50 0 FHAARO Cc1ccccc1[C@@]1(O)CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000252485266 571132191 /nfs/dbraw/zinc/13/21/91/571132191.db2.gz GPVRTBNXHUOOCB-HXUWFJFHSA-N 1 0 358.869 3.571 50 0 FHAARO O=C(N[C@H]1CCOc2ccccc21)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000058423472 571132905 /nfs/dbraw/zinc/13/29/05/571132905.db2.gz LHSJRDOYLDHFDF-PXNSSMCTSA-N 1 0 368.452 3.678 50 0 FHAARO O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000058423469 571132916 /nfs/dbraw/zinc/13/29/16/571132916.db2.gz LHSJRDOYLDHFDF-FXAWDEMLSA-N 1 0 368.452 3.678 50 0 FHAARO CNC(=O)c1ccc(C[N@H+](C[C@@H](O)c2ccccc2)C2CCCCC2)o1 ZINC000252492028 571133040 /nfs/dbraw/zinc/13/30/40/571133040.db2.gz MBDBOUBBVGVTAM-LJQANCHMSA-N 1 0 356.466 3.508 50 0 FHAARO O=C(CC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1COC2(C1)CCCCC2 ZINC000252499311 571133479 /nfs/dbraw/zinc/13/34/79/571133479.db2.gz RYPPHOYQLRNOSZ-NRFANRHFSA-N 1 0 370.537 3.897 50 0 FHAARO O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1Cl)N1CCc2ccccc2C1 ZINC000060038509 571136004 /nfs/dbraw/zinc/13/60/04/571136004.db2.gz CLTBQUDMLRFHCD-FQEVSTJZSA-N 1 0 368.908 3.932 50 0 FHAARO O=C(Nc1ccc(Cl)c(Cl)c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000059916434 571136024 /nfs/dbraw/zinc/13/60/24/571136024.db2.gz MQDZCGAVIJSOKC-UHFFFAOYSA-N 1 0 372.296 3.758 50 0 FHAARO COc1cccc([C@@H](CNc2cc(C)nc(-c3ccncc3)n2)[NH+](C)C)c1 ZINC000060112829 571136285 /nfs/dbraw/zinc/13/62/85/571136285.db2.gz FFIWYFFABUXGAY-LJQANCHMSA-N 1 0 363.465 3.570 50 0 FHAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1cc(C2CC2)on1 ZINC000076649864 571139423 /nfs/dbraw/zinc/13/94/23/571139423.db2.gz VSMADGCCOUIGJA-BEFAXECRSA-N 1 0 353.466 3.535 50 0 FHAARO CCC[N@H+](Cc1cccc(OC2(C(=O)[O-])CC[NH2+]CC2)c1)[C@@H](C)C(C)C ZINC000063869070 571140219 /nfs/dbraw/zinc/14/02/19/571140219.db2.gz SZDSZBXASPPAOE-KRWDZBQOSA-N 1 0 362.514 3.529 50 0 FHAARO COc1ccc(NC(=O)c2cccc(C[N@@H+]3CCC[C@H]3C)c2)cc1OC ZINC000065380427 571142491 /nfs/dbraw/zinc/14/24/91/571142491.db2.gz LRRGRFFNVGQJLU-OAHLLOKOSA-N 1 0 354.450 3.940 50 0 FHAARO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)n1 ZINC000065381943 571142521 /nfs/dbraw/zinc/14/25/21/571142521.db2.gz GZLDANFKPVOXOT-GOSISDBHSA-N 1 0 361.445 3.853 50 0 FHAARO Cc1ccccc1-c1ncc(C[NH+]2CCC(Oc3ncccn3)CC2)s1 ZINC000065398120 571142842 /nfs/dbraw/zinc/14/28/42/571142842.db2.gz NJXPNSBFCXJOCJ-UHFFFAOYSA-N 1 0 366.490 3.952 50 0 FHAARO CC[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2ccc(OC)c(C[NH+](CC)CC)c2)O1 ZINC000065457506 571143870 /nfs/dbraw/zinc/14/38/70/571143870.db2.gz KPBZYCFVQYFOOV-DYXWJJEUSA-N 1 0 362.514 3.672 50 0 FHAARO C[C@H](c1cccc(-c2c(-c3ccccc3)ncn2CCC(N)=O)c1)[NH+](C)C ZINC000065468893 571144252 /nfs/dbraw/zinc/14/42/52/571144252.db2.gz YRFAZGUCODFTOW-MRXNPFEDSA-N 1 0 362.477 3.715 50 0 FHAARO COc1cc2c(cc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1)O[C@H](C)C2 ZINC000025355193 571144588 /nfs/dbraw/zinc/14/45/88/571144588.db2.gz XMPLALCPPFBONS-VQIMIIECSA-N 1 0 370.493 3.928 50 0 FHAARO CCCC[N@H+](C)C[C@H](C)OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000067319149 571146620 /nfs/dbraw/zinc/14/66/20/571146620.db2.gz HDWDSQSFHHWROG-SFHVURJKSA-N 1 0 355.478 3.586 50 0 FHAARO CNc1nc(N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)cc(C)[nH+]1 ZINC000067472684 571146698 /nfs/dbraw/zinc/14/66/98/571146698.db2.gz CESSZQLKZIQGTG-UHFFFAOYSA-N 1 0 366.444 3.740 50 0 FHAARO CC(C)c1cc(C2CC[NH+](Cc3cnc(-c4ccccn4)nc3)CC2)[nH]n1 ZINC000067678279 571148228 /nfs/dbraw/zinc/14/82/28/571148228.db2.gz ZUQXECWGSHNKDW-UHFFFAOYSA-N 1 0 362.481 3.765 50 0 FHAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@](C)(O)[C@@H](Cc2ccccc2)C1 ZINC000067690552 571148561 /nfs/dbraw/zinc/14/85/61/571148561.db2.gz BCHRYDVVKNYQJG-RBBKRZOGSA-N 1 0 355.526 3.896 50 0 FHAARO C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3cc(C4CC4)nn3C)c2)C1 ZINC000067725466 571148889 /nfs/dbraw/zinc/14/88/89/571148889.db2.gz OJXKQSVRSBULKQ-OAHLLOKOSA-N 1 0 352.482 3.782 50 0 FHAARO Cn1ccnc1-c1ccc(Oc2cccc(C[NH+]3CCCC3)c2Cl)nn1 ZINC000067771280 571149413 /nfs/dbraw/zinc/14/94/13/571149413.db2.gz ZDSJRVYWIKNFAT-UHFFFAOYSA-N 1 0 369.856 3.919 50 0 FHAARO FC(F)(F)c1ccc(-c2noc3c2C[N@H+](C[C@@H]2CCCO2)CC3)cc1 ZINC000067805970 571149689 /nfs/dbraw/zinc/14/96/89/571149689.db2.gz FAXBOLISVFNKCF-AWEZNQCLSA-N 1 0 352.356 3.898 50 0 FHAARO CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000067834356 571150041 /nfs/dbraw/zinc/15/00/41/571150041.db2.gz KFBOLNXOVLRAHL-HXUWFJFHSA-N 1 0 373.500 3.872 50 0 FHAARO Cc1cc2c(c(-c3cc(C(C)C)nc(C(F)(F)F)n3)c1)O[C@@H](C[NH3+])C2 ZINC000067872994 571150792 /nfs/dbraw/zinc/15/07/92/571150792.db2.gz IPTZYTVXPHAFKP-GFCCVEGCSA-N 1 0 351.372 3.856 50 0 FHAARO Cc1cccc2cc(CO)c(-c3cc(Cl)cc4c3O[C@H](C[NH3+])C4)nc12 ZINC000067872760 571150912 /nfs/dbraw/zinc/15/09/12/571150912.db2.gz LSHHTXHSSGJADW-INIZCTEOSA-N 1 0 354.837 3.618 50 0 FHAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000067921079 571151813 /nfs/dbraw/zinc/15/18/13/571151813.db2.gz MPVGYJOTHLLMMC-CQSZACIVSA-N 1 0 361.873 3.781 50 0 FHAARO C[N@H+](Cc1ccsc1)C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067947459 571152075 /nfs/dbraw/zinc/15/20/75/571152075.db2.gz PYAKUELXIFZJEU-FQEVSTJZSA-N 1 0 364.555 3.504 50 0 FHAARO Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000012946564 571153446 /nfs/dbraw/zinc/15/34/46/571153446.db2.gz IWDQODAPIOIEKO-UHFFFAOYSA-N 1 0 364.555 3.506 50 0 FHAARO C[C@@H](C1CCN(C(=O)c2ccccc2OC(F)F)CC1)[NH+]1CCCC1 ZINC000072418870 571160394 /nfs/dbraw/zinc/16/03/94/571160394.db2.gz IAQBUTLSYRKQDO-AWEZNQCLSA-N 1 0 352.425 3.625 50 0 FHAARO CC[NH+](CC)CCC(=O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000071712093 571163485 /nfs/dbraw/zinc/16/34/85/571163485.db2.gz ORDJVFDNPUJKKB-KRWDZBQOSA-N 1 0 352.469 3.868 50 0 FHAARO Cc1cccc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 ZINC000071707733 571163509 /nfs/dbraw/zinc/16/35/09/571163509.db2.gz CUTWYGZQKILSSZ-NRFANRHFSA-N 1 0 369.484 3.788 50 0 FHAARO Cc1cncc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1 ZINC000071750508 571164577 /nfs/dbraw/zinc/16/45/77/571164577.db2.gz JKDJMLRRGQDYLX-NRFANRHFSA-N 1 0 369.484 3.902 50 0 FHAARO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2ccc(N3CCCC3)nn2)c1 ZINC000071750320 571164628 /nfs/dbraw/zinc/16/46/28/571164628.db2.gz VWZMHBWIABUHBP-GOSISDBHSA-N 1 0 352.482 3.524 50 0 FHAARO CC(C)[C@@H]1CN(Cc2cc(-c3ccccn3)no2)CCC[N@@H+]1CC1CC1 ZINC000071755340 571165096 /nfs/dbraw/zinc/16/50/96/571165096.db2.gz USWHMWNSWNPAQC-NRFANRHFSA-N 1 0 354.498 3.679 50 0 FHAARO COc1ccc(-c2nc(C[NH+]3CCC(CCO)CC3)c(C)o2)c(C)c1C ZINC000071753924 571165324 /nfs/dbraw/zinc/16/53/24/571165324.db2.gz SEWFSHBKCHPMNO-UHFFFAOYSA-N 1 0 358.482 3.870 50 0 FHAARO O=C(CCC[N@H+]1CC[C@@H](OC(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000071769291 571166264 /nfs/dbraw/zinc/16/62/64/571166264.db2.gz QFHRZOFCJAYEQU-LJQANCHMSA-N 1 0 352.434 3.973 50 0 FHAARO Cc1cccc2[nH]c(C3CC[NH+](Cc4ccc(OCCO)cc4)CC3)nc21 ZINC000072121828 571170267 /nfs/dbraw/zinc/17/02/67/571170267.db2.gz VFLXCGPVTVJLHR-UHFFFAOYSA-N 1 0 365.477 3.622 50 0 FHAARO C[C@@H]1CCC[N@@H+]1Cc1cc2n(n1)CCCN(Cc1ccc3[nH]ccc3c1)C2 ZINC000072131964 571171002 /nfs/dbraw/zinc/17/10/02/571171002.db2.gz UDNVRNVASRNTDN-QGZVFWFLSA-N 1 0 363.509 3.755 50 0 FHAARO Cc1ccccc1-n1cc(CN(C)C(=O)c2ccccc2[C@@H]2CC[NH2+]C2)cn1 ZINC000072134625 571171373 /nfs/dbraw/zinc/17/13/73/571171373.db2.gz JTPPTVQZVLECOO-LJQANCHMSA-N 1 0 374.488 3.530 50 0 FHAARO CC(C)c1nc(N2CC[C@H](C3CC[NH+](CCc4ccccc4)CC3)C2)no1 ZINC000072154147 571174724 /nfs/dbraw/zinc/17/47/24/571174724.db2.gz ZMXAGSHTUBCVBS-FQEVSTJZSA-N 1 0 368.525 3.974 50 0 FHAARO C[NH+]1CCC(N(Cc2cc(-c3ccccc3)no2)Cc2cccnc2)CC1 ZINC000072167439 571177000 /nfs/dbraw/zinc/17/70/00/571177000.db2.gz ZSMWARUMZACCRZ-UHFFFAOYSA-N 1 0 362.477 3.833 50 0 FHAARO CSc1nccc(N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)n1 ZINC000072173944 571177648 /nfs/dbraw/zinc/17/76/48/571177648.db2.gz DWHFNOGNZKEOAD-OAQYLSRUSA-N 1 0 368.550 3.999 50 0 FHAARO Cc1ccccc1N1CCC[N@H+](Cc2cnc(N3CCCC3)s2)CC1 ZINC000072172377 571177739 /nfs/dbraw/zinc/17/77/39/571177739.db2.gz LBXDKFFKWYCVMT-UHFFFAOYSA-N 1 0 356.539 3.764 50 0 FHAARO O=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1cc(-c2ccco2)on1 ZINC000090607214 571179810 /nfs/dbraw/zinc/17/98/10/571179810.db2.gz VVTNKYJZPKQGJQ-UHFFFAOYSA-N 1 0 360.373 3.997 50 0 FHAARO Cc1ccc(-c2ccc(C(=O)NCc3c(C)ncc4c3CC[NH2+]C4)cc2)o1 ZINC000072407464 571191059 /nfs/dbraw/zinc/19/10/59/571191059.db2.gz XNPAVJMCHQWNCX-UHFFFAOYSA-N 1 0 361.445 3.534 50 0 FHAARO CN1CC2(CC1=O)CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000072406977 571191146 /nfs/dbraw/zinc/19/11/46/571191146.db2.gz IBLNMPCVJZWHGF-UHFFFAOYSA-N 1 0 350.462 3.923 50 0 FHAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N1CCOc2ccccc2C1 ZINC000299758756 571192760 /nfs/dbraw/zinc/19/27/60/571192760.db2.gz MXQRCSYKGAZEIK-HBMCJLEFSA-N 1 0 362.473 3.633 50 0 FHAARO C[C@H](CNC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)Oc1cccnc1 ZINC000299762236 571193729 /nfs/dbraw/zinc/19/37/29/571193729.db2.gz MQFDBLBYQIDZHQ-QGZVFWFLSA-N 1 0 368.481 3.657 50 0 FHAARO Cc1ccc(-n2cc(C[N@@H+](C)C[C@@H](C)O)c(-c3ccc(F)cc3)n2)cc1 ZINC000072426149 571194481 /nfs/dbraw/zinc/19/44/81/571194481.db2.gz VSLXYCCYKPTMTJ-MRXNPFEDSA-N 1 0 353.441 3.799 50 0 FHAARO Cc1ccc(-n2cc(C[N@@H+](C)C[C@H](C)O)c(-c3ccc(F)cc3)n2)cc1 ZINC000072426150 571194520 /nfs/dbraw/zinc/19/45/20/571194520.db2.gz VSLXYCCYKPTMTJ-INIZCTEOSA-N 1 0 353.441 3.799 50 0 FHAARO CC(C)c1ncc(Cl)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000058423410 571195342 /nfs/dbraw/zinc/19/53/42/571195342.db2.gz RVVKHJYEFBWIGN-UHFFFAOYSA-N 1 0 372.900 3.648 50 0 FHAARO Cc1nc2ccc(NC(=O)N3CCCC[C@H]3C[NH+]3CCCC3)cc2nc1C ZINC000299769973 571195775 /nfs/dbraw/zinc/19/57/75/571195775.db2.gz KNHAGBSIHOWHHO-SFHVURJKSA-N 1 0 367.497 3.729 50 0 FHAARO C[N@H+](Cc1cccc(CN2CCOCC2)c1)Cc1cccc2cnccc21 ZINC000072432943 571195936 /nfs/dbraw/zinc/19/59/36/571195936.db2.gz QFBNBJKCDCCQBE-UHFFFAOYSA-N 1 0 361.489 3.699 50 0 FHAARO CC(C)(O)CCc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000072433050 571196117 /nfs/dbraw/zinc/19/61/17/571196117.db2.gz GKWSCEWSXMBRKC-UHFFFAOYSA-N 1 0 370.512 3.847 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cnc(-c4ccccc4C)s3)[C@H]1C[C@H](O)CC2 ZINC000299781249 571197869 /nfs/dbraw/zinc/19/78/69/571197869.db2.gz FDJXYHNNBRBTMR-MOXGXCLJSA-N 1 0 358.507 3.623 50 0 FHAARO CC[N@@H+]1CCC[C@]2(CCCN(C(=O)c3cccc(CCC(C)(C)O)c3)C2)C1 ZINC000072475841 571198949 /nfs/dbraw/zinc/19/89/49/571198949.db2.gz HIZXEOWNRPSMNU-QHCPKHFHSA-N 1 0 372.553 3.728 50 0 FHAARO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)o1 ZINC000072476295 571199350 /nfs/dbraw/zinc/19/93/50/571199350.db2.gz GKYPEVKQHRENTM-QFBILLFUSA-N 1 0 358.507 3.705 50 0 FHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ncc(F)cc1F ZINC000299792512 571201394 /nfs/dbraw/zinc/20/13/94/571201394.db2.gz FIDSILHCSMKXSM-SFHVURJKSA-N 1 0 359.420 3.707 50 0 FHAARO O=C(Nc1cccc(-c2ccco2)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000299794028 571201606 /nfs/dbraw/zinc/20/16/06/571201606.db2.gz JCOQDSHZVKDIGW-LJQANCHMSA-N 1 0 369.465 3.712 50 0 FHAARO COCCCN(C(=O)c1cccc(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000299796466 571202217 /nfs/dbraw/zinc/20/22/17/571202217.db2.gz OKAWYQIEOMMLES-UHFFFAOYSA-N 1 0 366.505 3.927 50 0 FHAARO CCc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccc(OC)c2)on1 ZINC000075448560 571203137 /nfs/dbraw/zinc/20/31/37/571203137.db2.gz LLKWCSYKKAQIBS-SFHVURJKSA-N 1 0 352.438 3.973 50 0 FHAARO CCc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccc(OC)c2)on1 ZINC000075448582 571203158 /nfs/dbraw/zinc/20/31/58/571203158.db2.gz LLKWCSYKKAQIBS-GOSISDBHSA-N 1 0 352.438 3.973 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)N2CCOC(C)(C)C2)[NH+]2CCC(C)CC2)cc1 ZINC000534642987 571206396 /nfs/dbraw/zinc/20/63/96/571206396.db2.gz FCRHPAYZMYLYMV-HXUWFJFHSA-N 1 0 373.541 3.588 50 0 FHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cnc3ccccn23)cc1 ZINC000077297987 571206571 /nfs/dbraw/zinc/20/65/71/571206571.db2.gz LBUSBKAXIOVPIF-IBGZPJMESA-N 1 0 362.477 3.763 50 0 FHAARO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2CCC2)CC1 ZINC000064448112 571206815 /nfs/dbraw/zinc/20/68/15/571206815.db2.gz RDUHKQBWTBJMQP-UHFFFAOYSA-N 1 0 354.416 3.928 50 0 FHAARO CNc1cc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)ccn1 ZINC000077301243 571207072 /nfs/dbraw/zinc/20/70/72/571207072.db2.gz NZUNYCQQKWTBLG-LJQANCHMSA-N 1 0 352.482 3.552 50 0 FHAARO Cc1ccc([C@@H]2CN(C(=O)CCC(=O)c3ccccc3)C[C@H]2[NH+](C)C)cc1 ZINC000077321973 571207521 /nfs/dbraw/zinc/20/75/21/571207521.db2.gz WIQSDKQHBFKQBA-LEWJYISDSA-N 1 0 364.489 3.514 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC000077338540 571207923 /nfs/dbraw/zinc/20/79/23/571207923.db2.gz DHBIDPUXKBAKSJ-HXUWFJFHSA-N 1 0 352.482 3.716 50 0 FHAARO Cc1cc(N2CC[C@](O)(C[NH+]3CCCCC3)C2)nc2cc(Cl)ccc12 ZINC000077343857 571208423 /nfs/dbraw/zinc/20/84/23/571208423.db2.gz QJFASTUISUSHKW-FQEVSTJZSA-N 1 0 359.901 3.624 50 0 FHAARO Cc1cc(-c2ccc(C(=O)N(C)CC[NH+](C)C)cc2)nc2ccc(F)cc12 ZINC000534670828 571208793 /nfs/dbraw/zinc/20/87/93/571208793.db2.gz QVZYFLQHINCDLW-UHFFFAOYSA-N 1 0 365.452 3.983 50 0 FHAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](Cc2ccsc2)CC3)c1 ZINC000077424279 571211081 /nfs/dbraw/zinc/21/10/81/571211081.db2.gz ZDGSRXJOCVRWMZ-UHFFFAOYSA-N 1 0 370.518 3.771 50 0 FHAARO Cc1c(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)[nH]c2ccc(F)cc12 ZINC000077436768 571211551 /nfs/dbraw/zinc/21/15/51/571211551.db2.gz KFWPSMLGOJKHFY-GOSISDBHSA-N 1 0 359.489 3.692 50 0 FHAARO c1coc([C@@H](Cn2ccnc2-c2ccc3c(c2)OCO3)[NH+]2CCCC2)c1 ZINC000077452006 571211969 /nfs/dbraw/zinc/21/19/69/571211969.db2.gz POWLNKCOWMIIQH-MRXNPFEDSA-N 1 0 351.406 3.709 50 0 FHAARO O=C(C[NH+]1CCC(n2ccnc2-c2cccc3ccccc32)CC1)NC1CC1 ZINC000077470283 571212590 /nfs/dbraw/zinc/21/25/90/571212590.db2.gz TUNRNZCISLXOSC-UHFFFAOYSA-N 1 0 374.488 3.619 50 0 FHAARO COc1ccc(-c2nccn2C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1C ZINC000077470784 571212831 /nfs/dbraw/zinc/21/28/31/571212831.db2.gz ORHYJRRJLHJAFW-IBGZPJMESA-N 1 0 369.509 3.991 50 0 FHAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccn2)no1 ZINC000077489127 571213763 /nfs/dbraw/zinc/21/37/63/571213763.db2.gz YQTTVUZSVSIMTJ-QGZVFWFLSA-N 1 0 351.454 3.686 50 0 FHAARO COc1ccccc1-c1cccc(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000077712099 571215602 /nfs/dbraw/zinc/21/56/02/571215602.db2.gz HFJJSTBWVUZYQE-GOSISDBHSA-N 1 0 353.466 3.920 50 0 FHAARO CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000097227456 571216380 /nfs/dbraw/zinc/21/63/80/571216380.db2.gz VGUWOGSHGBAHRI-YWTKSJFSSA-N 1 0 363.445 3.797 50 0 FHAARO CC[C@H]1CN(C(=O)c2cccc(-c3cc(C(F)(F)F)ccn3)c2)CC[NH2+]1 ZINC000426374189 571216706 /nfs/dbraw/zinc/21/67/06/571216706.db2.gz LREOXKQEBUWAJI-INIZCTEOSA-N 1 0 363.383 3.591 50 0 FHAARO CCOc1ccccc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023128048 571217379 /nfs/dbraw/zinc/21/73/79/571217379.db2.gz XCFGDWFKPKYLBI-UHFFFAOYSA-N 1 0 358.507 3.789 50 0 FHAARO Cc1cc(C)c(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1C ZINC000023127602 571217526 /nfs/dbraw/zinc/21/75/26/571217526.db2.gz GHIQXASXSVSOIT-UHFFFAOYSA-N 1 0 364.555 3.545 50 0 FHAARO COc1cc(C[N@@H+]2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)ccc1C ZINC000426407687 571221115 /nfs/dbraw/zinc/22/11/15/571221115.db2.gz RPBLIDBHDQZGSC-ILWGZMRPSA-N 1 0 359.510 3.942 50 0 FHAARO Cc1cc(F)ccc1-c1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+](C)C3)cc1 ZINC000426410742 571221545 /nfs/dbraw/zinc/22/15/45/571221545.db2.gz RZUKWBJDLPHHHP-JXFKEZNVSA-N 1 0 352.453 3.967 50 0 FHAARO O=C(NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(F)(F)CC1 ZINC000426443466 571225935 /nfs/dbraw/zinc/22/59/35/571225935.db2.gz VIAIIUSIWCZXLZ-SFHVURJKSA-N 1 0 365.468 3.872 50 0 FHAARO Cn1c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)ccc1-c1ccccc1 ZINC000082087036 571227666 /nfs/dbraw/zinc/22/76/66/571227666.db2.gz LUXIZJOYFKVSRF-UHFFFAOYSA-N 1 0 351.494 3.783 50 0 FHAARO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000426491154 571228024 /nfs/dbraw/zinc/22/80/24/571228024.db2.gz XNKWIXGJTPWNBW-IBGZPJMESA-N 1 0 354.881 3.978 50 0 FHAARO O=C1Nc2ccccc2NC12CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000082108830 571228394 /nfs/dbraw/zinc/22/83/94/571228394.db2.gz DNMZYNYJQLJPLI-ONEGZZNKSA-N 1 0 351.425 3.738 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)NCCc2ccncc2)cc1 ZINC000426496989 571228513 /nfs/dbraw/zinc/22/85/13/571228513.db2.gz OISMWSLDYNLADW-OAQYLSRUSA-N 1 0 366.509 3.623 50 0 FHAARO COc1ccc(-c2ccc(C(=O)N3CC([NH+]4CCCCC4)C3)cc2)cc1 ZINC000426498631 571228720 /nfs/dbraw/zinc/22/87/20/571228720.db2.gz PNJXNUKANULPIQ-UHFFFAOYSA-N 1 0 350.462 3.673 50 0 FHAARO c1c(CNc2nc(-c3ccccc3)nc3ccccc32)nn2c1C[NH2+]CCC2 ZINC000082133441 571228812 /nfs/dbraw/zinc/22/88/12/571228812.db2.gz QBPJGMAIOIJXLS-UHFFFAOYSA-N 1 0 370.460 3.599 50 0 FHAARO CCc1oc2c(cccc2NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1C ZINC000426613546 571233336 /nfs/dbraw/zinc/23/33/36/571233336.db2.gz FDPLGZLDUFMDTN-INIZCTEOSA-N 1 0 373.497 3.878 50 0 FHAARO Cc1ccc(C(=O)c2ccccc2C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000085651531 571233606 /nfs/dbraw/zinc/23/36/06/571233606.db2.gz WHVJLNXWDPBAMJ-UHFFFAOYSA-N 1 0 351.446 3.565 50 0 FHAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)NC1Cc2ccccc2C1 ZINC000426628907 571233998 /nfs/dbraw/zinc/23/39/98/571233998.db2.gz XEYBMZKPXVFKNU-UHFFFAOYSA-N 1 0 363.505 3.591 50 0 FHAARO Cc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1OCC[NH3+] ZINC000426701324 571235591 /nfs/dbraw/zinc/23/55/91/571235591.db2.gz AOGLXCMXVBWPNE-UHFFFAOYSA-N 1 0 366.383 3.624 50 0 FHAARO COc1cc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)ccc1F ZINC000426707196 571235860 /nfs/dbraw/zinc/23/58/60/571235860.db2.gz LFSHFMOXXUDBBK-JRGCBEDISA-N 1 0 363.473 3.773 50 0 FHAARO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3cc(F)ccc3C(C)=O)cc2)C1 ZINC000426712875 571236257 /nfs/dbraw/zinc/23/62/57/571236257.db2.gz XOWVHBZPOFWCEJ-MRXNPFEDSA-N 1 0 368.452 3.767 50 0 FHAARO Fc1ccc(-c2noc(-c3ccc(NCCC[NH+]4CCCC4)nc3)n2)cc1 ZINC000064676956 571238905 /nfs/dbraw/zinc/23/89/05/571238905.db2.gz VTGWUETUAOPAMA-UHFFFAOYSA-N 1 0 367.428 3.836 50 0 FHAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc3cccc(F)c3n1)CC2 ZINC000091391455 571239263 /nfs/dbraw/zinc/23/92/63/571239263.db2.gz OUGLDXDRGRRPLI-UHFFFAOYSA-N 1 0 355.457 3.598 50 0 FHAARO CSc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 ZINC000091452687 571239845 /nfs/dbraw/zinc/23/98/45/571239845.db2.gz DEUBZACZABCXGE-AZUAARDMSA-N 1 0 353.535 3.900 50 0 FHAARO CNc1nc(CN2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)cs1 ZINC000091643670 571241494 /nfs/dbraw/zinc/24/14/94/571241494.db2.gz IPKHVDZTOSRSHL-SFHVURJKSA-N 1 0 370.566 3.886 50 0 FHAARO O=C(c1cccn1C1CC1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091725323 571243018 /nfs/dbraw/zinc/24/30/18/571243018.db2.gz MUFOZSPLZXKLSI-FXAWDEMLSA-N 1 0 367.468 3.699 50 0 FHAARO CC[C@H](C)[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)COCc1ccco1 ZINC000169678033 571247034 /nfs/dbraw/zinc/24/70/34/571247034.db2.gz IOOGXHSFONREPU-WMLDXEAASA-N 1 0 353.409 3.736 50 0 FHAARO COc1ccc(C[N@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000006940528 571255248 /nfs/dbraw/zinc/25/52/48/571255248.db2.gz GMYMEZZHOLIHEL-SIKLNZKXSA-N 1 0 355.478 3.582 50 0 FHAARO COc1ccc2ccccc2c1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000170091595 571262369 /nfs/dbraw/zinc/26/23/69/571262369.db2.gz VOYPJFCQBFFSOG-HXUWFJFHSA-N 1 0 351.450 3.517 50 0 FHAARO O=C(Cc1ccccc1Cl)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000239593087 571264862 /nfs/dbraw/zinc/26/48/62/571264862.db2.gz DOMMNCKNCQUEFF-UHFFFAOYSA-N 1 0 366.958 3.606 50 0 FHAARO Cc1ccc([C@H](CNC(=O)Nc2nc(C(F)(F)F)cs2)[NH+](C)C)cc1 ZINC000170596287 571266476 /nfs/dbraw/zinc/26/64/76/571266476.db2.gz BYKPFDOJFINBKI-LBPRGKRZSA-N 1 0 372.416 3.895 50 0 FHAARO Cc1cc(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)nn1C(C)(C)C ZINC000170597506 571266642 /nfs/dbraw/zinc/26/66/42/571266642.db2.gz SNOFWHNLTKYAAN-HXUWFJFHSA-N 1 0 370.541 3.833 50 0 FHAARO C[N@H+](CCc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000170623424 571269153 /nfs/dbraw/zinc/26/91/53/571269153.db2.gz KXGVCLIVLPWCJO-KRWDZBQOSA-N 1 0 350.478 3.947 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cc(F)cc1F)c1ccsc1 ZINC000076022565 571273661 /nfs/dbraw/zinc/27/36/61/571273661.db2.gz NPLZGUPCXVGEOY-HNNXBMFYSA-N 1 0 356.413 3.978 50 0 FHAARO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000252492663 571280990 /nfs/dbraw/zinc/28/09/90/571280990.db2.gz MRUPDQDCEIQYJF-QFIPXVFZSA-N 1 0 370.493 3.583 50 0 FHAARO Cc1ccc(CN(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000252500258 571281169 /nfs/dbraw/zinc/28/11/69/571281169.db2.gz SQEZMWPVXBQXNS-UHFFFAOYSA-N 1 0 369.484 3.940 50 0 FHAARO O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000252502122 571281360 /nfs/dbraw/zinc/28/13/60/571281360.db2.gz UMUFGRGSUREAHX-UHFFFAOYSA-N 1 0 367.449 3.890 50 0 FHAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000252512163 571281878 /nfs/dbraw/zinc/28/18/78/571281878.db2.gz NJPVPHULKXWQDZ-FHLIZLRMSA-N 1 0 364.534 3.514 50 0 FHAARO COc1ccc(COC[C@H](O)C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)cc1 ZINC000195541361 571289615 /nfs/dbraw/zinc/28/96/15/571289615.db2.gz WDTSVCNVMNPGFD-PGRDOPGGSA-N 1 0 369.505 3.873 50 0 FHAARO COc1cccc([C@H](CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[NH+](C)C)c1 ZINC000054920951 571294799 /nfs/dbraw/zinc/29/47/99/571294799.db2.gz DTFYVCJYJONCRC-YWZLYKJASA-N 1 0 373.472 3.840 50 0 FHAARO COc1ccc(OC)c(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000022859948 571308327 /nfs/dbraw/zinc/30/83/27/571308327.db2.gz WWUIJHJNWLBGLM-RBBKRZOGSA-N 1 0 358.526 3.933 50 0 FHAARO O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000067615026 571309119 /nfs/dbraw/zinc/30/91/19/571309119.db2.gz KHJLUFDYYNHRMH-RBUKOAKNSA-N 1 0 355.507 3.522 50 0 FHAARO COc1ccc(-c2c(C)n(O)c(C)c(-c3ccccc3)[n+]2=O)c(OC)c1 ZINC000136939879 571309314 /nfs/dbraw/zinc/30/93/14/571309314.db2.gz FRKNHUZWDVHELV-UHFFFAOYSA-N 1 0 353.398 3.608 50 0 FHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1ccc2ccccc21 ZINC000253413001 571312465 /nfs/dbraw/zinc/31/24/65/571312465.db2.gz SSKWKXBFZCRUBK-PZJWPPBQSA-N 1 0 353.510 3.754 50 0 FHAARO Cc1ccc(C2(NC(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000584895382 571315368 /nfs/dbraw/zinc/31/53/68/571315368.db2.gz UGZKOIDSISIVGT-OAQYLSRUSA-N 1 0 363.505 3.900 50 0 FHAARO CC[NH+]1CCN(c2ccc(N[C@H](C)c3nc(C4CC4)no3)c(C)c2)CC1 ZINC000055151716 571320947 /nfs/dbraw/zinc/32/09/47/571320947.db2.gz JDFGFZVGOURRFR-OAHLLOKOSA-N 1 0 355.486 3.570 50 0 FHAARO c1nc2c3c4c(sc3nc(SCC[NH+]3CCCCC3)n2n1)CCCC4 ZINC000002450556 571322776 /nfs/dbraw/zinc/32/27/76/571322776.db2.gz IPXUQWUFIARMQU-UHFFFAOYSA-N 1 0 373.551 3.796 50 0 FHAARO COc1cc(Br)c(C[NH2+]CCc2ccc(F)cc2)cc1OC ZINC000019594933 571326692 /nfs/dbraw/zinc/32/66/92/571326692.db2.gz XYJVFEGQASYIEC-UHFFFAOYSA-N 1 0 368.246 3.938 50 0 FHAARO O=C(c1cccc(Br)c1)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000079096492 571326958 /nfs/dbraw/zinc/32/69/58/571326958.db2.gz GPMOXCYJWGUWAA-GOSISDBHSA-N 1 0 373.294 3.844 50 0 FHAARO Cc1ccc([C@](O)(C(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020868581 571331844 /nfs/dbraw/zinc/33/18/44/571331844.db2.gz HAMNPWOBGUCPBK-DHIUTWEWSA-N 1 0 353.506 3.955 50 0 FHAARO Fc1ccccc1-c1noc(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000021630059 571335242 /nfs/dbraw/zinc/33/52/42/571335242.db2.gz LGHHAFIQZGHATQ-UHFFFAOYSA-N 1 0 352.413 3.952 50 0 FHAARO Cc1ccc(CNC(=O)N2CCC(C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000021718261 571335906 /nfs/dbraw/zinc/33/59/06/571335906.db2.gz UXLCDEYCHJPGKZ-KDURUIRLSA-N 1 0 357.542 3.895 50 0 FHAARO O=C(c1ccccc1)c1ccc(OC[C@@H](O)C[NH2+]Cc2cccs2)cc1 ZINC000002646905 571340009 /nfs/dbraw/zinc/34/00/09/571340009.db2.gz ZTEXIVPYNGEHRC-SFHVURJKSA-N 1 0 367.470 3.509 50 0 FHAARO CC1CC[NH+](CCCNC(=O)N[C@H]2CCOc3c(Cl)cccc32)CC1 ZINC000056804938 571341794 /nfs/dbraw/zinc/34/17/94/571341794.db2.gz BBPYNGJZDOUVCO-KRWDZBQOSA-N 1 0 365.905 3.585 50 0 FHAARO CCc1cc2c(C[N@H+](CCOC)Cc3ccccc3)cc(=O)oc2cc1O ZINC000057435072 571343387 /nfs/dbraw/zinc/34/33/87/571343387.db2.gz FJNVOTDASCLYFY-UHFFFAOYSA-N 1 0 367.445 3.710 50 0 FHAARO Cc1cc(C)cc(NC(=S)N2CCC([N@H+](C)C[C@@H]3CCCO3)CC2)c1 ZINC000003058177 571344376 /nfs/dbraw/zinc/34/43/76/571344376.db2.gz SPRHSJVJVAGNPM-IBGZPJMESA-N 1 0 361.555 3.575 50 0 FHAARO CCC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 ZINC000230219174 571344690 /nfs/dbraw/zinc/34/46/90/571344690.db2.gz WVTLVYLGWZLITL-SQNIBIBYSA-N 1 0 371.930 3.507 50 0 FHAARO C[NH+](C)CCCNC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000003306140 571347043 /nfs/dbraw/zinc/34/70/43/571347043.db2.gz HZKXHGRGHGWBBJ-UHFFFAOYSA-N 1 0 355.507 3.747 50 0 FHAARO Fc1ccc(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)nc3)o2)cc1 ZINC000030636913 571347126 /nfs/dbraw/zinc/34/71/26/571347126.db2.gz JOKJEQPJSDUKSC-UHFFFAOYSA-N 1 0 367.424 3.607 50 0 FHAARO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1F ZINC000030670161 571347331 /nfs/dbraw/zinc/34/73/31/571347331.db2.gz XCZJINORILKBRZ-UHFFFAOYSA-N 1 0 355.240 3.961 50 0 FHAARO CCn1c2ccccc2c2cc(NC(=O)C[NH2+]C[C@H]3CCCO3)ccc21 ZINC000003330998 571347586 /nfs/dbraw/zinc/34/75/86/571347586.db2.gz WEQMXWTVSYUUSB-MRXNPFEDSA-N 1 0 351.450 3.522 50 0 FHAARO COc1ccccc1NC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000003359289 571348318 /nfs/dbraw/zinc/34/83/18/571348318.db2.gz PWGMBDRLVPODKF-LPHOPBHVSA-N 1 0 351.450 3.843 50 0 FHAARO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c2cc(F)ccc2n1 ZINC000504700711 571348846 /nfs/dbraw/zinc/34/88/46/571348846.db2.gz IWGOGVQXAIAKHJ-YWZLYKJASA-N 1 0 355.457 3.677 50 0 FHAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COCCOc1ccc(Cl)cc1 ZINC000004279123 571357573 /nfs/dbraw/zinc/35/75/73/571357573.db2.gz NOGSUFTZWFFFEI-MRXNPFEDSA-N 1 0 357.922 3.901 50 0 FHAARO COc1ccc(OC)c(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)c1 ZINC000008126445 571359136 /nfs/dbraw/zinc/35/91/36/571359136.db2.gz JHEZDEQEXULANP-IBGZPJMESA-N 1 0 354.450 3.652 50 0 FHAARO CC(C)Oc1cccc([C@H](O)C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000291059695 933875764 /nfs/dbraw/zinc/87/57/64/933875764.db2.gz CUZQXOMRBPKHED-GOSISDBHSA-N 1 0 374.447 3.514 50 0 FHAARO COc1cc(C[C@@H](C)[NH+]2CCN(C/C=C/c3ccccc3)CC2)ccc1O ZINC000023281062 939966396 /nfs/dbraw/zinc/96/63/96/939966396.db2.gz XZVWXUVQSALEME-MBNRZODZSA-N 1 0 366.505 3.663 50 0 FHAARO COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N3CC[NH+](C)CC3)n2)cc1 ZINC000004320756 945347790 /nfs/dbraw/zinc/34/77/90/945347790.db2.gz BYRAABUXRALQQU-UHFFFAOYSA-N 1 0 374.488 3.879 50 0 FHAARO Cn1nc(C2CCCC2)cc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000180501708 941033981 /nfs/dbraw/zinc/03/39/81/941033981.db2.gz JXJYWCGAMOMTOZ-HNNXBMFYSA-N 1 0 361.515 3.564 50 0 FHAARO CC1(C)C[C@@H](C[N@@H+]2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)CCO1 ZINC000019641565 941835100 /nfs/dbraw/zinc/83/51/00/941835100.db2.gz WMEGHEHCRHUDKF-ZDUSSCGKSA-N 1 0 361.436 3.918 50 0 FHAARO Cc1nc2sccn2c1CN1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000020541055 941896141 /nfs/dbraw/zinc/89/61/41/941896141.db2.gz BQLIDHCESCATCU-LJQANCHMSA-N 1 0 368.550 3.843 50 0 FHAARO CN1CCc2c3ccccc3[nH]c2C12CCN(C(=O)c1cccs1)CC2 ZINC000257181441 942550044 /nfs/dbraw/zinc/55/00/44/942550044.db2.gz FOFNWWHOGFIXMW-UHFFFAOYSA-N 1 0 365.502 3.849 50 0 FHAARO c1cc(CCN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc2c1OCC2 ZINC000329392011 943177050 /nfs/dbraw/zinc/17/70/50/943177050.db2.gz VPXFIINNWPIBGW-PKOBYXMFSA-N 1 0 369.465 3.626 50 0 FHAARO Cc1ncc(C(=O)Nc2ccccc2)c(C2CC[NH+](CC3CC3)CC2)n1 ZINC000675013944 943616880 /nfs/dbraw/zinc/61/68/80/943616880.db2.gz BJUDMVVUPYNEOM-UHFFFAOYSA-N 1 0 350.466 3.627 50 0 FHAARO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(C)c(O)c(C)c3)C2)nc1 ZINC000331837616 944792043 /nfs/dbraw/zinc/79/20/43/944792043.db2.gz TUWMGZAUPSLJPZ-SFHVURJKSA-N 1 0 353.466 3.563 50 0 FHAARO COCCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000426503127 945003678 /nfs/dbraw/zinc/00/36/78/945003678.db2.gz IOXSUSFPFIWMRS-QFIPXVFZSA-N 1 0 358.526 3.661 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000045463501 946050453 /nfs/dbraw/zinc/05/04/53/946050453.db2.gz UAUZBUBFXWHMPS-OAHLLOKOSA-N 1 0 351.922 3.691 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000045463239 946050686 /nfs/dbraw/zinc/05/06/86/946050686.db2.gz LEEYKRUXTNQZID-AWEZNQCLSA-N 1 0 369.456 3.769 50 0 FHAARO O=C1C[C@@H](C[NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1ccccc1 ZINC000179054302 946134295 /nfs/dbraw/zinc/13/42/95/946134295.db2.gz VCXRERIWJXNTBM-INIZCTEOSA-N 1 0 362.395 3.844 50 0 FHAARO COc1ccc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)cc1O ZINC000106251558 948115159 /nfs/dbraw/zinc/11/51/59/948115159.db2.gz GMZJEPAOFZNLKI-UHFFFAOYSA-N 1 0 361.869 3.892 50 0 FHAARO CCOc1ccc([C@H]2[NH2+]CCc3cc(OCC)c(OC)cc32)cc1OC ZINC000000718113 210266369 /nfs/dbraw/zinc/26/63/69/210266369.db2.gz ORPLZOVZOXZDTM-OAQYLSRUSA-N 1 0 357.450 3.736 50 0 FHAARO Cc1ccc(-c2ccc(C(=O)NCC3([NH+](C)C)CCCC3)c(C)n2)cc1 ZINC000257173312 210220429 /nfs/dbraw/zinc/22/04/29/210220429.db2.gz JIZMNFWXPDBERP-UHFFFAOYSA-N 1 0 351.494 3.970 50 0 FHAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3ccco3)n2)C1 ZINC000065140502 210211388 /nfs/dbraw/zinc/21/13/88/210211388.db2.gz QKBIGEZFKKKZGH-GOEBONIOSA-N 1 0 367.474 3.968 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000245256348 210211230 /nfs/dbraw/zinc/21/12/30/210211230.db2.gz PICVJRZEIJBKCI-HNNXBMFYSA-N 1 0 368.506 3.856 50 0 FHAARO Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2C[NH+]1[C@H](C)CCC[C@H]1C ZINC000334161242 210163990 /nfs/dbraw/zinc/16/39/90/210163990.db2.gz XAZGECPBGQZRLB-HUUCEWRRSA-N 1 0 352.478 3.963 50 0 FHAARO COc1cc2c3c(c1)C(C[N@H+]1[C@H](C)CCC[C@@H]1C)=CC(C)(C)N3C(=O)C2=O ZINC000334160999 210163092 /nfs/dbraw/zinc/16/30/92/210163092.db2.gz QNFSDGPQNCDUBR-OKILXGFUSA-N 1 0 368.477 3.663 50 0 FHAARO CC(C)(C)OC(=O)N1CCC2(CC[NH+](Cc3ccccc3)CC2)[C@@H](CO)C1 ZINC000216625787 222666618 /nfs/dbraw/zinc/66/66/18/222666618.db2.gz YAORWXSGGQJXRX-LJQANCHMSA-N 1 0 374.525 3.518 50 0 FHAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC(CCC(=O)Nc2ccccc2)CC1 ZINC000011813714 210100924 /nfs/dbraw/zinc/10/09/24/210100924.db2.gz WZENSIJPNYBCQR-FQEVSTJZSA-N 1 0 371.525 3.518 50 0 FHAARO O[C@@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc(-c2ccccn2)cs1 ZINC000004916032 210082692 /nfs/dbraw/zinc/08/26/92/210082692.db2.gz ZVOIOUBKMZZODN-ZUZCIYMTSA-N 1 0 368.384 3.822 50 0 FHAARO CC(C)Oc1cccc(-c2cccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2)c1 ZINC000299796272 210037908 /nfs/dbraw/zinc/03/79/08/210037908.db2.gz NXMNVDSGFYITFX-HXUWFJFHSA-N 1 0 352.478 3.917 50 0 FHAARO C[N@@H+]1CCCN(C(=O)c2cccc(-c3ncccc3C(F)(F)F)c2)CC1 ZINC000299801132 210039205 /nfs/dbraw/zinc/03/92/05/210039205.db2.gz WNYBQVFMDUBNFV-UHFFFAOYSA-N 1 0 363.383 3.545 50 0 FHAARO CCc1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)on1 ZINC000299794295 210035505 /nfs/dbraw/zinc/03/55/05/210035505.db2.gz IRMUEBCTIXJGMN-BBWFWOEESA-N 1 0 350.422 3.980 50 0 FHAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)cc1 ZINC000299791193 210033639 /nfs/dbraw/zinc/03/36/39/210033639.db2.gz DKOZNXOHXVDHSG-HBMCJLEFSA-N 1 0 350.462 3.537 50 0 FHAARO CSc1ncc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cn1 ZINC000299785563 210029023 /nfs/dbraw/zinc/02/90/23/210029023.db2.gz VAAXHXZWDFDJKE-SFHVURJKSA-N 1 0 370.522 3.546 50 0 FHAARO CO[C@]12CC[N@H+](Cc3ccc4cc[nH]c4n3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299766906 210014993 /nfs/dbraw/zinc/01/49/93/210014993.db2.gz CMLJRHXPIQPTCK-SVFBPWRDSA-N 1 0 355.482 3.502 50 0 FHAARO O=C1CC[N@H+](Cc2ccc3ncccc3c2)CCN1CC1CCCCC1 ZINC000299758024 210008012 /nfs/dbraw/zinc/00/80/12/210008012.db2.gz KCRPIYGOYGQBAB-UHFFFAOYSA-N 1 0 351.494 3.849 50 0 FHAARO CCc1ccc(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)nc1 ZINC000299759389 210011249 /nfs/dbraw/zinc/01/12/49/210011249.db2.gz GZFPQOCBHDSAGP-BDTNDASRSA-N 1 0 363.505 3.828 50 0 FHAARO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236639254 222904674 /nfs/dbraw/zinc/90/46/74/222904674.db2.gz XRJRLYADAKFVIU-XHSDSOJGSA-N 1 0 366.937 3.682 50 0 FHAARO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236638986 222904702 /nfs/dbraw/zinc/90/47/02/222904702.db2.gz XRJRLYADAKFVIU-OAGGEKHMSA-N 1 0 366.937 3.682 50 0 FHAARO O=S(=O)(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1ccccc1 ZINC000008901273 219871341 /nfs/dbraw/zinc/87/13/41/219871341.db2.gz XMGKBSRRLJXKFP-GOSISDBHSA-N 1 0 364.536 3.644 50 0 FHAARO CCc1ccc(CNC(=O)C2=CC[N@H+](Cc3cccc(F)c3)CC2)cc1 ZINC000064818114 212045701 /nfs/dbraw/zinc/04/57/01/212045701.db2.gz VSODPYWCMOVDGY-UHFFFAOYSA-N 1 0 352.453 3.837 50 0 FHAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cn(C)c3ccc(Cl)cc23)CC1 ZINC000064669739 212041841 /nfs/dbraw/zinc/04/18/41/212041841.db2.gz SANHZFCELHLQRL-CQSZACIVSA-N 1 0 361.917 3.958 50 0 FHAARO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H]1CN(C)c1ccccc1 ZINC000062582399 212029402 /nfs/dbraw/zinc/02/94/02/212029402.db2.gz YUYOIWPXDDWXMQ-LJQANCHMSA-N 1 0 367.493 3.543 50 0 FHAARO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCc2ccccc21 ZINC000060167974 212019858 /nfs/dbraw/zinc/01/98/58/212019858.db2.gz IZGYZHVBRVUGBR-LJQANCHMSA-N 1 0 372.459 3.975 50 0 FHAARO C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000059856538 212018328 /nfs/dbraw/zinc/01/83/28/212018328.db2.gz SYMCOPKTJJCQNC-KRWDZBQOSA-N 1 0 374.481 3.733 50 0 FHAARO Cc1ocnc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000012710805 220020293 /nfs/dbraw/zinc/02/02/93/220020293.db2.gz FOOWPIUSULCRRO-LJQANCHMSA-N 1 0 355.482 3.576 50 0 FHAARO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000058426583 212010790 /nfs/dbraw/zinc/01/07/90/212010790.db2.gz HKSXRXAPIILAIC-SZNDQCEHSA-N 1 0 357.473 3.923 50 0 FHAARO CN(C)c1ccc(C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)cn1 ZINC000058329546 212005035 /nfs/dbraw/zinc/00/50/35/212005035.db2.gz XWLFWBYSPKIQAS-UHFFFAOYSA-N 1 0 361.449 3.584 50 0 FHAARO CC1CC[NH+]([C@@H](CNC(=O)c2cnn(C)c2C2CC2)c2cccs2)CC1 ZINC000058293207 212003546 /nfs/dbraw/zinc/00/35/46/212003546.db2.gz YSSUKQODWMCUEW-KRWDZBQOSA-N 1 0 372.538 3.562 50 0 FHAARO CCC[NH+](CCC)Cc1ccc(C(=O)N[C@@H](C)c2cnn(C)c2C)cc1 ZINC000055212108 211941486 /nfs/dbraw/zinc/94/14/86/211941486.db2.gz HUZXPQCZYWVDIC-INIZCTEOSA-N 1 0 356.514 3.842 50 0 FHAARO CC[C@H](Oc1cc(C)ccc1Cl)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000013326233 220064103 /nfs/dbraw/zinc/06/41/03/220064103.db2.gz ZBXKANLVCRFTRZ-KRWDZBQOSA-N 1 0 352.906 3.795 50 0 FHAARO COc1cccc(CNC2=[NH+]CCNC23CCC(c2ccccc2)CC3)c1 ZINC000046153266 211834934 /nfs/dbraw/zinc/83/49/34/211834934.db2.gz NPJXRTMMRJLIAR-UHFFFAOYSA-N 1 0 363.505 3.883 50 0 FHAARO CC(=O)CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000014238174 220118830 /nfs/dbraw/zinc/11/88/30/220118830.db2.gz QEPLIBYYEBCJRH-VWPQPMDRSA-N 1 0 359.510 3.603 50 0 FHAARO O=C(Cc1ccc2c(c1)CCCC2)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000044714876 211798778 /nfs/dbraw/zinc/79/87/78/211798778.db2.gz UMMNEENVQTUNCS-FQEVSTJZSA-N 1 0 352.478 3.654 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000017244336 220212130 /nfs/dbraw/zinc/21/21/30/220212130.db2.gz FOXKGUAZRBDKEL-QWFCFKBJSA-N 1 0 363.542 3.718 50 0 FHAARO C[C@@H]1C[C@](OC(=O)COc2ccccc2)(c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000017209013 220210349 /nfs/dbraw/zinc/21/03/49/220210349.db2.gz ORZSEJAIMNPLCR-NJNPRVFISA-N 1 0 353.462 3.864 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000040108079 211725205 /nfs/dbraw/zinc/72/52/05/211725205.db2.gz RITDZBXDLUODDU-JOZWUWCOSA-N 1 0 365.315 3.701 50 0 FHAARO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCc2sccc2C1 ZINC000032888310 211569724 /nfs/dbraw/zinc/56/97/24/211569724.db2.gz YMIXEHIXRRECJR-CYBMUJFWSA-N 1 0 358.290 3.853 50 0 FHAARO CCCCOc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1OC ZINC000022623098 211359210 /nfs/dbraw/zinc/35/92/10/211359210.db2.gz OEZZXFXSDWYIRF-UHFFFAOYSA-N 1 0 350.503 3.723 50 0 FHAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000022936086 211370451 /nfs/dbraw/zinc/37/04/51/211370451.db2.gz ILCXRIQVIIZCKC-IBGZPJMESA-N 1 0 372.484 3.987 50 0 FHAARO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000022931640 211369897 /nfs/dbraw/zinc/36/98/97/211369897.db2.gz LQWZKKVVQLTFAD-UHFFFAOYSA-N 1 0 373.500 3.986 50 0 FHAARO O=C(NCc1ccccc1)c1cc[n+](Cc2cccc(C(F)(F)F)c2)cc1 ZINC000021658127 211318941 /nfs/dbraw/zinc/31/89/41/211318941.db2.gz LTFSTWCQBLMQLN-UHFFFAOYSA-O 1 0 371.382 3.971 50 0 FHAARO Cc1cc(C)cc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)c1 ZINC000021170535 211309837 /nfs/dbraw/zinc/30/98/37/211309837.db2.gz GAWKKSBVWSIBJP-FQEVSTJZSA-N 1 0 358.526 3.939 50 0 FHAARO O=C(NCc1ccc(F)cc1)NCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000021174674 211309421 /nfs/dbraw/zinc/30/94/21/211309421.db2.gz PSFKVLKXMWLTIA-UHFFFAOYSA-N 1 0 373.447 3.676 50 0 FHAARO CCc1ccc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1 ZINC000021658741 211319561 /nfs/dbraw/zinc/31/95/61/211319561.db2.gz YIYMSKBKQIWLLM-HXUWFJFHSA-N 1 0 358.526 3.885 50 0 FHAARO O=C1C[C@H]([NH2+]CCC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(F)cc1 ZINC000020500583 211283967 /nfs/dbraw/zinc/28/39/67/211283967.db2.gz ZNTDMXFCVKNONN-NAVXVDNBSA-N 1 0 370.468 3.654 50 0 FHAARO Brc1ccc(-c2ccc(C[NH2+][C@@H]3CN4CCC3CC4)o2)cc1 ZINC000020477296 211282016 /nfs/dbraw/zinc/28/20/16/211282016.db2.gz QZUGLOASHQNYJC-QGZVFWFLSA-N 1 0 361.283 3.893 50 0 FHAARO c1ccc(-c2noc(CN[C@H]3CCC[N@H+](CC4CCCCC4)C3)n2)cc1 ZINC000019742292 211253482 /nfs/dbraw/zinc/25/34/82/211253482.db2.gz LOUPIGUGVHYMBO-IBGZPJMESA-N 1 0 354.498 3.871 50 0 FHAARO COc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccccc2C)cc1 ZINC000016944972 211173266 /nfs/dbraw/zinc/17/32/66/211173266.db2.gz LVEMEIDAPZDFPR-QFIPXVFZSA-N 1 0 351.470 3.654 50 0 FHAARO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000016439251 211161761 /nfs/dbraw/zinc/16/17/61/211161761.db2.gz QXIXMWGHCAVDHD-SIHNGCNOSA-N 1 0 358.530 3.512 50 0 FHAARO C[C@H](NC(=O)C[NH2+]CCOc1ccccc1F)c1ccc2ccccc2c1 ZINC000016695440 211167134 /nfs/dbraw/zinc/16/71/34/211167134.db2.gz JBLMWGNQJJQDNU-INIZCTEOSA-N 1 0 366.436 3.825 50 0 FHAARO Cc1cccc(C)c1OCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015860032 211148445 /nfs/dbraw/zinc/14/84/45/211148445.db2.gz DSSZYNYPKLXKOS-SFHVURJKSA-N 1 0 356.466 3.619 50 0 FHAARO COc1ccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCC(C)CC2)cc1 ZINC000015860275 211147405 /nfs/dbraw/zinc/14/74/05/211147405.db2.gz BKKYIHJCYPTFAF-LJQANCHMSA-N 1 0 356.466 3.800 50 0 FHAARO C[C@H](NC(=O)C[NH2+]CCOc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000016046963 211153390 /nfs/dbraw/zinc/15/33/90/211153390.db2.gz QSGHXCUORWLDNP-INIZCTEOSA-N 1 0 372.484 3.969 50 0 FHAARO c1cncc(C[NH2+]Cc2ccc(OCc3ccc4c(c3)OCCO4)cc2)c1 ZINC000015083790 211121385 /nfs/dbraw/zinc/12/13/85/211121385.db2.gz AISWORDMNGYADB-UHFFFAOYSA-N 1 0 362.429 3.722 50 0 FHAARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000015072898 211120428 /nfs/dbraw/zinc/12/04/28/211120428.db2.gz LPJWMFUKJWWYPK-HSZRJFAPSA-N 1 0 361.489 3.690 50 0 FHAARO O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000015073796 211119983 /nfs/dbraw/zinc/11/99/83/211119983.db2.gz BLTHWZGPRUVHFU-SFHVURJKSA-N 1 0 357.885 3.562 50 0 FHAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccc(C)o3)C2)cc1 ZINC000015070632 211118405 /nfs/dbraw/zinc/11/84/05/211118405.db2.gz LSXVVCCMILNBQX-FQEVSTJZSA-N 1 0 356.510 3.983 50 0 FHAARO COc1ccccc1CCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(F)c1 ZINC000014879357 211103383 /nfs/dbraw/zinc/10/33/83/211103383.db2.gz LGFXYMMHCYFCHS-HXUWFJFHSA-N 1 0 370.468 3.548 50 0 FHAARO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CCC(=O)NCCC1=CCCCC1)C2 ZINC000014989247 211110926 /nfs/dbraw/zinc/11/09/26/211110926.db2.gz LHOQURZIGKVJPP-KRWDZBQOSA-N 1 0 372.509 3.675 50 0 FHAARO CSc1ccccc1C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000014959345 211106488 /nfs/dbraw/zinc/10/64/88/211106488.db2.gz DTPJDTGCVYGFFR-SFHVURJKSA-N 1 0 354.519 3.845 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 ZINC000014093106 211071245 /nfs/dbraw/zinc/07/12/45/211071245.db2.gz GUBAAAHOYUBNFY-UHFFFAOYSA-N 1 0 370.522 3.526 50 0 FHAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1[C@H]3CCc4ccccc4C3=NN12 ZINC000013810146 211060492 /nfs/dbraw/zinc/06/04/92/211060492.db2.gz COBOEWUKKRMQNZ-SIKLNZKXSA-N 1 0 359.473 3.824 50 0 FHAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)c(C)c1 ZINC000013595772 211042570 /nfs/dbraw/zinc/04/25/70/211042570.db2.gz LZVSSDAFJLVGJS-INIZCTEOSA-N 1 0 365.433 3.635 50 0 FHAARO Cc1ccc(O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013329727 211031022 /nfs/dbraw/zinc/03/10/22/211031022.db2.gz GPBDLOVCHBHXKL-GOSISDBHSA-N 1 0 352.478 3.543 50 0 FHAARO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000013040182 211023029 /nfs/dbraw/zinc/02/30/29/211023029.db2.gz UIXODTADPSKQRM-CYBMUJFWSA-N 1 0 360.841 3.806 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 ZINC000013011230 211020118 /nfs/dbraw/zinc/02/01/18/211020118.db2.gz CSNPDIOFWORERT-QUCCMNQESA-N 1 0 354.519 3.903 50 0 FHAARO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013006449 211019219 /nfs/dbraw/zinc/01/92/19/211019219.db2.gz ZYWJERGFHGRDDX-UHFFFAOYSA-N 1 0 366.914 3.660 50 0 FHAARO O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000013003227 211018499 /nfs/dbraw/zinc/01/84/99/211018499.db2.gz UBYBEHYDZSYWIY-GOSISDBHSA-N 1 0 362.395 3.639 50 0 FHAARO C[N@H+](CCOc1cccc(Cl)c1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000012996464 211017920 /nfs/dbraw/zinc/01/79/20/211017920.db2.gz LZVHRAMKNXREKL-UHFFFAOYSA-N 1 0 359.809 3.663 50 0 FHAARO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C)cc1)[NH+]1CCCC1 ZINC000012981217 211014626 /nfs/dbraw/zinc/01/46/26/211014626.db2.gz NCXBZFPQFYEZIX-LJQANCHMSA-N 1 0 353.466 3.962 50 0 FHAARO O=C(NCc1ccccc1)C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000012980989 211013917 /nfs/dbraw/zinc/01/39/17/211013917.db2.gz YIJFAWYCOLWICU-UHFFFAOYSA-N 1 0 370.468 3.623 50 0 FHAARO C[NH+](C)[C@H](CNc1nc(C(F)(F)F)nc2ccccc21)c1ccco1 ZINC000012860178 211001275 /nfs/dbraw/zinc/00/12/75/211001275.db2.gz XVAJXKLPUOKZRH-CYBMUJFWSA-N 1 0 350.344 3.956 50 0 FHAARO Cc1nc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2nc1C ZINC000012864728 211000057 /nfs/dbraw/zinc/00/00/57/211000057.db2.gz NKVABGACPHNJPB-UHFFFAOYSA-N 1 0 374.488 3.641 50 0 FHAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2[C@@H](C)c2csc(C)n2)c1 ZINC000012209426 210929826 /nfs/dbraw/zinc/92/98/26/210929826.db2.gz NZVKWVLNDOFORS-WMLDXEAASA-N 1 0 373.522 3.692 50 0 FHAARO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000007985278 210763784 /nfs/dbraw/zinc/76/37/84/210763784.db2.gz KEOPHVBCMOYRJP-MRXNPFEDSA-N 1 0 350.466 3.965 50 0 FHAARO COc1ccc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)c(OC)c1 ZINC000005578204 210630355 /nfs/dbraw/zinc/63/03/55/210630355.db2.gz SQXRPGNLQBGOHA-UHFFFAOYSA-N 1 0 374.525 3.755 50 0 FHAARO CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000005010292 210591152 /nfs/dbraw/zinc/59/11/52/210591152.db2.gz PZDCFPDKQRXIJF-GOSISDBHSA-N 1 0 355.478 3.630 50 0 FHAARO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(F)c1 ZINC000004122653 210510302 /nfs/dbraw/zinc/51/03/02/210510302.db2.gz VNWZAKDHUBQGKM-UHFFFAOYSA-N 1 0 371.481 3.938 50 0 FHAARO CC[NH+](CC)CCNc1ncnc2c3cc(Br)ccc3[nH]c21 ZINC000002368594 210393634 /nfs/dbraw/zinc/39/36/34/210393634.db2.gz JVJPNYGWKLOKTR-UHFFFAOYSA-N 1 0 362.275 3.627 50 0 FHAARO CC(C)Cc1nc2oc3c(ncnc3NCCC[NH+](C)C)c2c2c1CCC2 ZINC000002203017 210383998 /nfs/dbraw/zinc/38/39/98/210383998.db2.gz AMHIWPFADBVSPH-UHFFFAOYSA-N 1 0 367.497 3.822 50 0 FHAARO CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000001850153 210373255 /nfs/dbraw/zinc/37/32/55/210373255.db2.gz JEFVHLMGRUJLET-OAQYLSRUSA-N 1 0 352.478 3.628 50 0 in-man FHAARO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1F)c1cccc2ccccc21 ZINC000010330512 210355626 /nfs/dbraw/zinc/35/56/26/210355626.db2.gz CTHUKAPNDFPQMA-FQEVSTJZSA-N 1 0 366.436 3.777 50 0 FHAARO CC1(C)C(c2ccccn2)[N+](=O)[C@H](c2ccc(Cl)cc2Cl)N1O ZINC000001297687 210341235 /nfs/dbraw/zinc/34/12/35/210341235.db2.gz TZRNYKDNJLIXPA-HNNXBMFYSA-N 1 0 352.221 3.870 50 0 FHAARO O[C@H](CN1c2ccccc2N2CCC[NH+]=C12)c1ccc(Br)cc1 ZINC000001177305 210330260 /nfs/dbraw/zinc/33/02/60/210330260.db2.gz FWZVJGFCJLYIQD-QGZVFWFLSA-N 1 0 372.266 3.569 50 0 FHAARO C[C@@H]1C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(Br)cc2)N1O ZINC000001173299 210329626 /nfs/dbraw/zinc/32/96/26/210329626.db2.gz XEGSXYAQJISKDC-PXAZEXFGSA-N 1 0 361.239 3.715 50 0 FHAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000000934798 210291535 /nfs/dbraw/zinc/29/15/35/210291535.db2.gz GVASVUVYSBNTIP-IBGZPJMESA-N 1 0 363.461 3.661 50 0 FHAARO CC(C)[C@@H]1C[C@@](CC(=O)NCCC[NH+](C)C)(Cc2ccccc2)CCO1 ZINC000009486019 210283782 /nfs/dbraw/zinc/28/37/82/210283782.db2.gz KYHWDEMTSLKBIC-UNMCSNQZSA-N 1 0 360.542 3.509 50 0 FHAARO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000022024973 220374889 /nfs/dbraw/zinc/37/48/89/220374889.db2.gz QSXPFVVNUOPVTA-HKUYNNGSSA-N 1 0 355.482 3.732 50 0 FHAARO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000022095748 220377046 /nfs/dbraw/zinc/37/70/46/220377046.db2.gz NGJDQZWKXVCYAB-IEBWSBKVSA-N 1 0 355.482 3.732 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967897 221159297 /nfs/dbraw/zinc/15/92/97/221159297.db2.gz ZBDDIYKKUDYXPW-SFHVURJKSA-N 1 0 363.461 3.633 50 0 FHAARO COc1ccc(NC(=O)c2cccc(C[N@@H+]3CCC[C@@H]3C)c2)cc1OC ZINC000065380428 221206224 /nfs/dbraw/zinc/20/62/24/221206224.db2.gz LRRGRFFNVGQJLU-HNNXBMFYSA-N 1 0 354.450 3.940 50 0 FHAARO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2c2cccnc2)c(OC)c1 ZINC000065375342 221206324 /nfs/dbraw/zinc/20/63/24/221206324.db2.gz LUQFYTGSVTULER-IBGZPJMESA-N 1 0 369.465 3.655 50 0 FHAARO C[N@@H+](Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1)C[C@H]1CCCO1 ZINC000065376110 221206491 /nfs/dbraw/zinc/20/64/91/221206491.db2.gz WUSJXEPLTNIJJT-QGZVFWFLSA-N 1 0 359.857 3.598 50 0 FHAARO C[C@@H](c1cccc(-c2ccc(CN3CCOCC3)cn2)c1)[NH+]1CCCC1 ZINC000065386724 221208845 /nfs/dbraw/zinc/20/88/45/221208845.db2.gz OIAFEQUVAXVFJF-SFHVURJKSA-N 1 0 351.494 3.738 50 0 FHAARO C[N@@H+]1CCC[C@@H]1CCN1CC=C(c2cnn(Cc3ccccc3)c2)CC1 ZINC000065408551 221215145 /nfs/dbraw/zinc/21/51/45/221215145.db2.gz DNYATKYHTMRHPU-JOCHJYFZSA-N 1 0 350.510 3.505 50 0 FHAARO CC[C@@H](c1nc(CCc2ccccc2)nn1-c1cc[nH+]c(C)c1)n1cccn1 ZINC000065420800 221217542 /nfs/dbraw/zinc/21/75/42/221217542.db2.gz HBGGTEZPIDQKKC-FQEVSTJZSA-N 1 0 372.476 3.952 50 0 FHAARO CC(=O)N[C@@H]1C[C@H](C2CCCCC2)O[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC000065422018 221217820 /nfs/dbraw/zinc/21/78/20/221217820.db2.gz BQDWZJLGBAODRC-NJYVYQBISA-N 1 0 350.547 3.739 50 0 FHAARO Cc1cc(N2CCN(Cc3ccncc3Cl)CC2)c2ccccc2[nH+]1 ZINC000065454691 221219772 /nfs/dbraw/zinc/21/97/72/221219772.db2.gz VDCYVHBZJUULLE-UHFFFAOYSA-N 1 0 352.869 3.914 50 0 FHAARO Cc1c(C[N@H+](C)[C@@H]2CCCc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000065470620 221223376 /nfs/dbraw/zinc/22/33/76/221223376.db2.gz MFTOBIHSYDHJCN-JOCHJYFZSA-N 1 0 361.489 3.994 50 0 FHAARO O=C(NC1CCCCC1)C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000065523936 221229189 /nfs/dbraw/zinc/22/91/89/221229189.db2.gz BFZQPAVNYZXKKG-IBGZPJMESA-N 1 0 364.917 3.534 50 0 FHAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(-c2cccc3ncccc32)nc1 ZINC000067587594 221260813 /nfs/dbraw/zinc/26/08/13/221260813.db2.gz NCHVGJXNMDXZNY-SFHVURJKSA-N 1 0 374.488 3.901 50 0 FHAARO Cc1cc2c(c(-c3ncnc(Oc4cccnc4C)c3C)c1)O[C@H](C[NH3+])C2 ZINC000067727055 221277685 /nfs/dbraw/zinc/27/76/85/221277685.db2.gz XRNZSXZYYVOXFY-INIZCTEOSA-N 1 0 362.433 3.518 50 0 FHAARO O=c1[nH]c2cc3c(cc2cc1C[NH+]1CCC(c2ccncc2)CC1)CCC3 ZINC000067696520 221273996 /nfs/dbraw/zinc/27/39/96/221273996.db2.gz VPGKOEMQZIDTMW-UHFFFAOYSA-N 1 0 359.473 3.791 50 0 FHAARO CNc1nc(N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000067741284 221279205 /nfs/dbraw/zinc/27/92/05/221279205.db2.gz CEMCNNQIWQWNGX-HNNXBMFYSA-N 1 0 366.444 3.740 50 0 FHAARO [NH3+]C1(C(=O)N2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)CCC1 ZINC000067739941 221279504 /nfs/dbraw/zinc/27/95/04/221279504.db2.gz LJFUGDOUGKTXEL-UHFFFAOYSA-N 1 0 373.456 3.775 50 0 FHAARO C[C@H](CCn1cccn1)[NH2+]Cc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067852152 221294909 /nfs/dbraw/zinc/29/49/09/221294909.db2.gz FDURLRVCYXDBGQ-CQSZACIVSA-N 1 0 358.392 3.917 50 0 FHAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2cc(-c3ccccc3)on2)n1 ZINC000067872807 221299024 /nfs/dbraw/zinc/29/90/24/221299024.db2.gz LPBKBWHVAKOQCG-KRWDZBQOSA-N 1 0 363.465 3.543 50 0 FHAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C[C@@H]1CC[NH2+]C1)C2 ZINC000067894553 221302294 /nfs/dbraw/zinc/30/22/94/221302294.db2.gz RUJUFUTWXSIMGW-CQSZACIVSA-N 1 0 358.869 3.517 50 0 FHAARO Cc1ccc2[nH]c(C(=O)[O-])c(C[N@@H+](C)C3CC(C)(C)[NH2+]C(C)(C)C3)c2c1 ZINC000067894629 221302935 /nfs/dbraw/zinc/30/29/35/221302935.db2.gz XTHWCQJZQDJWQO-UHFFFAOYSA-N 1 0 357.498 3.916 50 0 FHAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc(C(C)C)cc3)cnn2c1 ZINC000067956459 221308909 /nfs/dbraw/zinc/30/89/09/221308909.db2.gz MVTAHVNYDPNZNQ-UHFFFAOYSA-N 1 0 365.481 3.947 50 0 FHAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C[C@H]2CCC[N@H+]2C)CCO3)s1 ZINC000067974011 221310821 /nfs/dbraw/zinc/31/08/21/221310821.db2.gz WVEHHWZJRKUYPE-QGZVFWFLSA-N 1 0 358.507 3.718 50 0 FHAARO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069433971 221324695 /nfs/dbraw/zinc/32/46/95/221324695.db2.gz SBGWHPOFIKDNMN-FPMFFAJLSA-N 1 0 357.281 3.504 50 0 FHAARO C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000069619791 221326829 /nfs/dbraw/zinc/32/68/29/221326829.db2.gz IDLFVOWECITYNA-QFBILLFUSA-N 1 0 355.457 3.652 50 0 FHAARO COc1ccc(OC)c(-c2nc(C[NH+]3CCC(C(C)(C)O)CC3)c(C)o2)c1 ZINC000071388673 221345026 /nfs/dbraw/zinc/34/50/26/221345026.db2.gz YBPNTWYUVMOOPT-UHFFFAOYSA-N 1 0 374.481 3.650 50 0 FHAARO CCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)on1 ZINC000071747929 221359959 /nfs/dbraw/zinc/35/99/59/221359959.db2.gz POPRJHLKERBDGM-LJQANCHMSA-N 1 0 373.472 3.749 50 0 FHAARO CCc1ocnc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071748556 221360671 /nfs/dbraw/zinc/36/06/71/221360671.db2.gz KBRGYAVYNLPENL-GOSISDBHSA-N 1 0 373.472 3.749 50 0 FHAARO CC(C)c1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)on1 ZINC000071758850 221367172 /nfs/dbraw/zinc/36/71/72/221367172.db2.gz SVGDZPXLGWTPHF-OAHLLOKOSA-N 1 0 353.426 3.623 50 0 FHAARO CC[N@H+](Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)C1CC1 ZINC000071760294 221368062 /nfs/dbraw/zinc/36/80/62/221368062.db2.gz IGGVMGNFJGMNHH-UHFFFAOYSA-N 1 0 360.527 3.786 50 0 FHAARO COCc1ncc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)cn1 ZINC000071760835 221368588 /nfs/dbraw/zinc/36/85/88/221368588.db2.gz ZZDVXYNJDJYDBV-HNNXBMFYSA-N 1 0 361.436 3.746 50 0 FHAARO CC(C)[C@H]1C[N@H+](Cc2cccc(O)c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071721419 221355258 /nfs/dbraw/zinc/35/52/58/221355258.db2.gz DCRDUSBZBFZHBZ-OAQYLSRUSA-N 1 0 370.468 3.790 50 0 FHAARO CNC(=O)CC[N@@H+]1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000071712076 221355455 /nfs/dbraw/zinc/35/54/55/221355455.db2.gz DJRKDXIQMLBCAR-GOSISDBHSA-N 1 0 368.452 3.524 50 0 FHAARO Cc1ccncc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071762363 221369846 /nfs/dbraw/zinc/36/98/46/221369846.db2.gz YIKFDEMZLXNATL-OAQYLSRUSA-N 1 0 369.484 3.902 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccccc3)no2)CCC[N@@H+]1CC1CC1 ZINC000071763802 221371868 /nfs/dbraw/zinc/37/18/68/221371868.db2.gz VEIHIAITNNWJRD-FQEVSTJZSA-N 1 0 367.493 3.924 50 0 FHAARO C[NH+](C)C1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000072027692 221397392 /nfs/dbraw/zinc/39/73/92/221397392.db2.gz IFRPMOKVGVPQTC-UHFFFAOYSA-N 1 0 355.463 3.723 50 0 FHAARO Cc1ccc2[nH+]ccc(N3CCC4(CC3)Nc3ccccc3NC4=O)c2c1 ZINC000082106886 132195049 /nfs/dbraw/zinc/19/50/49/132195049.db2.gz JZLWTSKLELSDKV-UHFFFAOYSA-N 1 0 358.445 3.946 50 0 FHAARO Cc1cc(N2CCC([NH2+][C@@H]3CCSC3)CC2)nc(-c2ccccc2)n1 ZINC000095497272 132211753 /nfs/dbraw/zinc/21/17/53/132211753.db2.gz PRFPPMKLVAASRF-GOSISDBHSA-N 1 0 354.523 3.516 50 0 FHAARO Cc1csc2c1ncnc2N1CCC([NH2+]CCCc2ccncc2)CC1 ZINC000095501848 132212289 /nfs/dbraw/zinc/21/22/89/132212289.db2.gz PVOCCDFOPRJFKT-UHFFFAOYSA-N 1 0 367.522 3.586 50 0 FHAARO Cc1ccc2cc(CO)c(N3CCC([C@H](C)[NH+]4CCCC4)CC3)nc2c1 ZINC000095516820 132213622 /nfs/dbraw/zinc/21/36/22/132213622.db2.gz LMWUZFPVEVEECC-KRWDZBQOSA-N 1 0 353.510 3.736 50 0 FHAARO CCCSc1cc(N2CC[NH+](CC)CC2)nc(-c2ccc(OC)cc2)n1 ZINC000004671280 132255054 /nfs/dbraw/zinc/25/50/54/132255054.db2.gz FJUNEFJPVBQMFH-UHFFFAOYSA-N 1 0 372.538 3.796 50 0 FHAARO CSC[C@@H](C)[NH+]1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000055369657 132303431 /nfs/dbraw/zinc/30/34/31/132303431.db2.gz PYZCGRQYXLIISL-MRXNPFEDSA-N 1 0 368.550 3.506 50 0 FHAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000239358414 132376589 /nfs/dbraw/zinc/37/65/89/132376589.db2.gz NGGKDTCGSHXTLI-ADHNFCLRSA-N 1 0 374.569 3.647 50 0 FHAARO CCc1ccc(C(=O)N[C@H](C)CC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000040092560 132945749 /nfs/dbraw/zinc/94/57/49/132945749.db2.gz TYEYKYKKRVUUOZ-QGZVFWFLSA-N 1 0 371.550 3.641 50 0 FHAARO CSc1nnc(CC2CCN(c3cc[nH+]c4ccccc43)CC2)n1C ZINC000055383306 136126677 /nfs/dbraw/zinc/12/66/77/136126677.db2.gz NDONFSHTFZXDMM-UHFFFAOYSA-N 1 0 353.495 3.544 50 0 FHAARO CNc1nc(N2CCO[C@H](c3ccc4cc(OC)ccc4c3)C2)cc(C)[nH+]1 ZINC000071755254 136140301 /nfs/dbraw/zinc/14/03/01/136140301.db2.gz GHBWFXFGINTCOO-IBGZPJMESA-N 1 0 364.449 3.566 50 0 FHAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(c2cc(C(C)C)nc(C)n2)C1 ZINC000072147757 136142719 /nfs/dbraw/zinc/14/27/19/136142719.db2.gz IJMFOXUAILVGLP-LJQANCHMSA-N 1 0 353.514 3.794 50 0 FHAARO Cc1nc[nH]c1C[N@@H+]1CCCC12CCN(c1ccc3ncccc3c1)CC2 ZINC000072411097 136145582 /nfs/dbraw/zinc/14/55/82/136145582.db2.gz IOXOQCKLMXOANK-UHFFFAOYSA-N 1 0 361.493 3.901 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccccc3)c(C)c2)CC1 ZINC000012545297 136152090 /nfs/dbraw/zinc/15/20/90/136152090.db2.gz AJATVBQRFAEKJV-UHFFFAOYSA-N 1 0 351.494 3.708 50 0 FHAARO Cc1c2ccc(C)cc2oc1C(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000091818964 221801023 /nfs/dbraw/zinc/80/10/23/221801023.db2.gz ZWIIBIRQKSSKGH-GOSISDBHSA-N 1 0 370.493 3.767 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cc(C)no3)CC2)C1 ZINC000091951289 221817827 /nfs/dbraw/zinc/81/78/27/221817827.db2.gz ZRYRIVXQJCOHNC-IBGZPJMESA-N 1 0 367.493 3.715 50 0 FHAARO Cc1ccc(C[NH+]2CCC(CNc3ncnc4nc(C)cc(C)c43)CC2)o1 ZINC000095384090 221888616 /nfs/dbraw/zinc/88/86/16/221888616.db2.gz OYEUVMUJYZEGDF-UHFFFAOYSA-N 1 0 365.481 3.867 50 0 FHAARO O=C(Nc1ccc2c(c1)CCC2)N[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000096166996 222066168 /nfs/dbraw/zinc/06/61/68/222066168.db2.gz QPBJXBFXGUXWRR-HXUWFJFHSA-N 1 0 365.477 3.667 50 0 FHAARO CCCCOc1nc2ccccc2c(C(=O)NCC[NH+](CC)CC)c1F ZINC000096171710 222067663 /nfs/dbraw/zinc/06/76/63/222067663.db2.gz NYBKUAPPDWFHGF-UHFFFAOYSA-N 1 0 361.461 3.624 50 0 FHAARO Cc1nc(/C=C\C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cs1 ZINC000097026876 222151733 /nfs/dbraw/zinc/15/17/33/222151733.db2.gz LZYVYQGASSGLQH-ZTBDEIDFSA-N 1 0 369.534 3.664 50 0 FHAARO C[C@H]1CCC[N@H+](CCCNC(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000097107640 222159596 /nfs/dbraw/zinc/15/95/96/222159596.db2.gz RITDZBXDLUODDU-XMELGKRDSA-N 1 0 365.315 3.701 50 0 FHAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)Nc1cccnc1Cl ZINC000097259354 222172182 /nfs/dbraw/zinc/17/21/82/222172182.db2.gz AJWSXADITMTHRY-UHFFFAOYSA-N 1 0 352.891 3.701 50 0 FHAARO CSCc1nc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000097288697 222173729 /nfs/dbraw/zinc/17/37/29/222173729.db2.gz JTCSPBYYFYHGIE-UHFFFAOYSA-N 1 0 361.536 3.532 50 0 FHAARO C[C@@H](c1ccc(C(=O)NCc2ccc3nsnc3c2)o1)[NH+]1CCCCC1 ZINC000097447088 222181460 /nfs/dbraw/zinc/18/14/60/222181460.db2.gz BTKKQMBBSMRMJZ-ZDUSSCGKSA-N 1 0 370.478 3.761 50 0 FHAARO Cc1cccc(CC[N@@H+]2CCc3nc(-c4ccc(F)cc4F)[nH]c3C2)n1 ZINC000097609946 222198679 /nfs/dbraw/zinc/19/86/79/222198679.db2.gz KBBJECKRUCQPNF-UHFFFAOYSA-N 1 0 354.404 3.659 50 0 FHAARO CCSc1ccccc1NC(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000097619466 222199634 /nfs/dbraw/zinc/19/96/34/222199634.db2.gz LXMQGDNBMCEFIU-UHFFFAOYSA-N 1 0 365.568 3.844 50 0 FHAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N(Cc1ccncc1)Cc1ccc(F)cc1 ZINC000097698883 222206749 /nfs/dbraw/zinc/20/67/49/222206749.db2.gz ZDUUVZLXVLOBKX-HXUWFJFHSA-N 1 0 355.457 3.624 50 0 FHAARO O=C1OC(=CNNc2[nH+]cc(C(F)(F)F)cc2Cl)c2ccccc21 ZINC000100916582 222256814 /nfs/dbraw/zinc/25/68/14/222256814.db2.gz OJSQGDIRWWHNCR-GHXNOFRVSA-N 1 0 355.703 3.839 50 0 FHAARO COc1ccc(N2C(=O)C[C@H]([C@@H]3CCCC=C3[NH+]3CCCCC3)C2=O)cc1 ZINC000101130491 222262987 /nfs/dbraw/zinc/26/29/87/222262987.db2.gz FCHGOTAXHIXVHB-RBUKOAKNSA-N 1 0 368.477 3.745 50 0 FHAARO C[N@@H+]1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C[C@H]1CCO ZINC000104424360 222356968 /nfs/dbraw/zinc/35/69/68/222356968.db2.gz RWYSOLKCGUOJGJ-GOSISDBHSA-N 1 0 360.885 3.631 50 0 FHAARO CC(C)c1ccccc1-c1cccc(C(=O)N2CCO[C@H](CC[NH3+])C2)c1 ZINC000426697333 263660022 /nfs/dbraw/zinc/66/00/22/263660022.db2.gz LYQOFTUJPXQEBK-LJQANCHMSA-N 1 0 352.478 3.667 50 0 FHAARO c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000040024165 518203993 /nfs/dbraw/zinc/20/39/93/518203993.db2.gz HEOFURXSFIKZMB-FQEVSTJZSA-N 1 0 361.445 3.981 50 0 FHAARO CCC[N@@H+]1CCCn2nc(CNc3nnc(-c4ccccc4)s3)cc2C1 ZINC000082109538 519855455 /nfs/dbraw/zinc/85/54/55/519855455.db2.gz LYXAYNJMZQYYPZ-UHFFFAOYSA-N 1 0 368.510 3.629 50 0 FHAARO CCCOc1c(C[NH2+]C[C@@H]2CCCO2)cc(Br)cc1OC ZINC000020934154 520293185 /nfs/dbraw/zinc/29/31/85/520293185.db2.gz LPOUPGUHRKGKAV-AWEZNQCLSA-N 1 0 358.276 3.515 50 0 FHAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cnc(C)s2)C1 ZINC000020908637 521183172 /nfs/dbraw/zinc/18/31/72/521183172.db2.gz AVYVAKFHCPSYMR-HXUWFJFHSA-N 1 0 358.507 3.840 50 0 FHAARO CCCCc1nc(CN(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c[nH]1 ZINC000019794600 521292156 /nfs/dbraw/zinc/29/21/56/521292156.db2.gz BHPGGHYAAXHTDP-OAQYLSRUSA-N 1 0 366.553 3.816 50 0 FHAARO CC[NH+]1CCN(CCCOc2ccccc2OCc2ccccc2)CC1 ZINC000020406548 521681993 /nfs/dbraw/zinc/68/19/93/521681993.db2.gz BDBUNCDLROLGOW-UHFFFAOYSA-N 1 0 354.494 3.672 50 0 FHAARO CCS[C@@H]1CC[C@@]1(O)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000241446943 521727026 /nfs/dbraw/zinc/72/70/26/521727026.db2.gz NPWMIPFEYQTNMD-ARFHVFGLSA-N 1 0 374.319 3.812 50 0 FHAARO CCSc1nc(=NN)c2c3c(sc2[nH]1)C[N@@H+](Cc1ccccc1)CC3 ZINC000020814161 521786724 /nfs/dbraw/zinc/78/67/24/521786724.db2.gz BMBJQYKEUYUDFF-UHFFFAOYSA-N 1 0 371.535 3.647 50 0 FHAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000241277650 521827877 /nfs/dbraw/zinc/82/78/77/521827877.db2.gz LHXPXXVXZQEZPX-BPUTZDHNSA-N 1 0 354.416 3.752 50 0 FHAARO C[NH2+]C[C@@H]1CCN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)C1 ZINC000178973951 522054789 /nfs/dbraw/zinc/05/47/89/522054789.db2.gz OMBKOBPVSZZLLU-JTQLQIEISA-N 1 0 355.916 3.515 50 0 FHAARO C[NH2+]C[C@@H]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000178966676 522054963 /nfs/dbraw/zinc/05/49/63/522054963.db2.gz JOVDFHGSZHPAPD-JTQLQIEISA-N 1 0 370.305 3.798 50 0 FHAARO CN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)[C@H]1CC[NH2+]C1 ZINC000179073964 523936933 /nfs/dbraw/zinc/93/69/33/523936933.db2.gz HIKVDVPIFHJEQW-LBPRGKRZSA-N 1 0 366.248 3.615 50 0 FHAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000020569877 524163372 /nfs/dbraw/zinc/16/33/72/524163372.db2.gz JJPMFBPUUZHTSC-XMSQKQJNSA-N 1 0 366.505 3.942 50 0 FHAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC000020406672 524243359 /nfs/dbraw/zinc/24/33/59/524243359.db2.gz LPXBARQSAOXBNB-INIZCTEOSA-N 1 0 352.459 3.912 50 0 FHAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)COc3ccc4ccccc4c3)CC2)C1 ZINC000020569778 524302462 /nfs/dbraw/zinc/30/24/62/524302462.db2.gz UNBUUESLNYKJKW-WIYYLYMNSA-N 1 0 366.505 3.942 50 0 FHAARO Cc1ccc(C[N@@H+]2CCN(C/C=C/c3ccc(F)cc3)C[C@@H]2CCO)cc1 ZINC000020777667 524456228 /nfs/dbraw/zinc/45/62/28/524456228.db2.gz TXPCJWFWMRHCAR-XFBYCMBJSA-N 1 0 368.496 3.716 50 0 FHAARO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)o1 ZINC000020861981 524499972 /nfs/dbraw/zinc/49/99/72/524499972.db2.gz OVTIHCIEKQCMAV-GOSISDBHSA-N 1 0 366.505 3.864 50 0 FHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 ZINC000156350792 525021531 /nfs/dbraw/zinc/02/15/31/525021531.db2.gz LRUWZIHSPZOTQE-QAPCUYQASA-N 1 0 356.441 3.604 50 0 FHAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000055099597 525841829 /nfs/dbraw/zinc/84/18/29/525841829.db2.gz SLPAKXXSETVPRI-UHFFFAOYSA-N 1 0 369.490 3.514 50 0 FHAARO Cc1c2ccccc2[nH]c1CN1CC[N@H+](Cc2cccs2)[C@@H](CCO)C1 ZINC000020993707 525975184 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O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)C1(c2ccc(F)cc2)CC1 ZINC000091620893 526490530 /nfs/dbraw/zinc/49/05/30/526490530.db2.gz VOBZNEVJUZBUED-FQEVSTJZSA-N 1 0 370.443 3.950 50 0 FHAARO OCC[C@H]1CN(Cc2cccc(-c3ccco3)c2)CC[N@@H+]1C1CCCC1 ZINC000020905655 527572918 /nfs/dbraw/zinc/57/29/18/527572918.db2.gz VIIWUHHKVGVSJM-NRFANRHFSA-N 1 0 354.494 3.758 50 0 FHAARO CC[NH+]1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)CC1 ZINC000002201514 535742316 /nfs/dbraw/zinc/74/23/16/535742316.db2.gz KCZNBEROVWPUGX-UHFFFAOYSA-N 1 0 369.900 3.808 50 0 FHAARO CC[NH+]1CCN(c2ccccc2NC(=O)CCSc2ccccc2)CC1 ZINC000024991842 535753906 /nfs/dbraw/zinc/75/39/06/535753906.db2.gz LHGMEIBQNFUTCK-UHFFFAOYSA-N 1 0 369.534 3.949 50 0 FHAARO O=C(NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1cccn1C1CC1 ZINC000215318993 568063744 /nfs/dbraw/zinc/06/37/44/568063744.db2.gz KRPDFTPKSJKQKZ-LJQANCHMSA-N 1 0 351.494 3.508 50 0 FHAARO CCc1ccc(CN(Cc2ccccc2OC)C(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000215581535 568078178 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CCc1nc(N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C2CC2)C3)no1 ZINC000095353775 570452225 /nfs/dbraw/zinc/45/22/25/570452225.db2.gz SBTOFLAXCLPACA-GOSISDBHSA-N 1 0 366.509 3.871 50 0 FHAARO CC[NH+]1CCC(CC(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000095366429 570455480 /nfs/dbraw/zinc/45/54/80/570455480.db2.gz XEWVMVTTYQFQEY-NRFANRHFSA-N 1 0 355.457 3.548 50 0 FHAARO COc1ccc(F)cc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095368064 570455713 /nfs/dbraw/zinc/45/57/13/570455713.db2.gz WYAAILZGQGPHES-IEBWSBKVSA-N 1 0 368.452 3.571 50 0 FHAARO Cc1ccc(NC(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)cc1 ZINC000095370589 570456327 /nfs/dbraw/zinc/45/63/27/570456327.db2.gz PSVLNRJXIYWFPT-GOSISDBHSA-N 1 0 369.513 3.555 50 0 FHAARO c1cn(Cc2cscn2)c([C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000095372853 570456875 /nfs/dbraw/zinc/45/68/75/570456875.db2.gz MZZZOCUHUFDVPR-QGZVFWFLSA-N 1 0 368.506 3.646 50 0 FHAARO FC(F)(F)c1ccnc(NC[C@H](c2cccnc2)[NH+]2CCCCC2)n1 ZINC000095388937 570460814 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FHAARO Cc1cccc(C(=O)c2cccc(C[NH+]3CCC4(CC3)OCCO4)c2)c1 ZINC000002515215 570523009 /nfs/dbraw/zinc/52/30/09/570523009.db2.gz XAGRKENSSOORFE-UHFFFAOYSA-N 1 0 351.446 3.565 50 0 FHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3cccc(OC)c3)c2)C1 ZINC000034670300 570527041 /nfs/dbraw/zinc/52/70/41/570527041.db2.gz WJXHWRNQKDBNIX-SFHVURJKSA-N 1 0 354.450 3.532 50 0 FHAARO CCNC(=O)[C@@H]1C[C@@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2F)C1 ZINC000034711188 570532656 /nfs/dbraw/zinc/53/26/56/570532656.db2.gz YBDKHMQPMBHKOT-WOJBJXKFSA-N 1 0 354.469 3.876 50 0 FHAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000002846556 570536467 /nfs/dbraw/zinc/53/64/67/570536467.db2.gz OOFBPLSRHABLNX-UHFFFAOYSA-N 1 0 356.249 3.663 50 0 FHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000237408022 570552210 /nfs/dbraw/zinc/55/22/10/570552210.db2.gz LSPTWFMDMKSNGP-CHWSQXEVSA-N 1 0 359.297 3.738 50 0 FHAARO Cc1c(C)c(C)c(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(C)c1C ZINC000003170070 570553327 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CCOc1ccc([C@@]2(O)C[N+](c3cc(C)ccc3C)=C3CCCCN32)cc1 ZINC000002966283 570679130 /nfs/dbraw/zinc/67/91/30/570679130.db2.gz UPLNSNMCHRIXBD-QHCPKHFHSA-N 1 0 365.497 3.962 50 0 FHAARO COc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1F ZINC000008535057 570682764 /nfs/dbraw/zinc/68/27/64/570682764.db2.gz USVHUUKTZAFCRJ-GFCCVEGCSA-N 1 0 353.821 3.537 50 0 FHAARO COc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1ccc(C)cc1 ZINC000010314119 570699742 /nfs/dbraw/zinc/69/97/42/570699742.db2.gz CKQXWNAVLSKJAP-UHFFFAOYSA-N 1 0 365.477 3.959 50 0 FHAARO OCCOCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000010435710 570700771 /nfs/dbraw/zinc/70/07/71/570700771.db2.gz OVBMXVXRKARWEP-UHFFFAOYSA-N 1 0 370.276 3.671 50 0 FHAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000155536826 570701628 /nfs/dbraw/zinc/70/16/28/570701628.db2.gz UWXJJNYRSXDRJP-FQEVSTJZSA-N 1 0 352.478 3.614 50 0 FHAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc4[nH]ccc4c3)C2)c1 ZINC000011710400 570705681 /nfs/dbraw/zinc/70/56/81/570705681.db2.gz 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368.525 3.730 50 0 FHAARO Cc1cccn2cc(C(=O)N[C@H]3CCC[N@@H+](C4CCCCCC4)C3)nc12 ZINC000012306534 570734981 /nfs/dbraw/zinc/73/49/81/570734981.db2.gz AANHQTNNMWVVSP-KRWDZBQOSA-N 1 0 354.498 3.560 50 0 FHAARO CCn1ccnc1CN(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012317578 570736298 /nfs/dbraw/zinc/73/62/98/570736298.db2.gz HODIZAQZJBNWDG-LJQANCHMSA-N 1 0 374.960 3.943 50 0 FHAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1c(F)ccc(F)c1F ZINC000012385301 570740948 /nfs/dbraw/zinc/74/09/48/570740948.db2.gz XBPYUWCGWDLBGY-HNNXBMFYSA-N 1 0 362.395 3.541 50 0 FHAARO COCc1ccc(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)o1 ZINC000012437755 570745259 /nfs/dbraw/zinc/74/52/59/570745259.db2.gz AWOBQGGCGNTMMX-UHFFFAOYSA-N 1 0 363.885 3.897 50 0 FHAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)CCC(F)(F)F)CC1 ZINC000012440244 570745526 /nfs/dbraw/zinc/74/55/26/570745526.db2.gz QESCGNRMHJQIHO-UHFFFAOYSA-N 1 0 356.432 3.742 50 0 FHAARO CCCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012464160 570748013 /nfs/dbraw/zinc/74/80/13/570748013.db2.gz LSLGLUIUJYFKEY-OAQYLSRUSA-N 1 0 371.569 3.622 50 0 FHAARO CC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000032593805 570750532 /nfs/dbraw/zinc/75/05/32/570750532.db2.gz UXIKRHJZQAMDPG-HXUWFJFHSA-N 1 0 358.457 3.747 50 0 FHAARO O=C(CCC(F)(F)F)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012587376 570751929 /nfs/dbraw/zinc/75/19/29/570751929.db2.gz KKJLYTCVTRZQNZ-IBGZPJMESA-N 1 0 368.443 3.886 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3cccc(OC)c3)C2)cc1 ZINC000012591609 570752494 /nfs/dbraw/zinc/75/24/94/570752494.db2.gz JBJFBHVSZNDSCF-QFIPXVFZSA-N 1 0 355.478 3.521 50 0 FHAARO COc1cccc(-c2cc(CC3(O)CC[NH+](C4CCCC4)CC3)on2)c1 ZINC000012596817 570753074 /nfs/dbraw/zinc/75/30/74/570753074.db2.gz SSSADWJUKKLCCT-UHFFFAOYSA-N 1 0 356.466 3.662 50 0 FHAARO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc(OC)ccc3OC)C2)c1 ZINC000012704255 570756772 /nfs/dbraw/zinc/75/67/72/570756772.db2.gz MTAUFLPPZMGAAG-QGZVFWFLSA-N 1 0 369.461 3.807 50 0 FHAARO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1-c1cccc(Cl)c1 ZINC000012718814 570758352 /nfs/dbraw/zinc/75/83/52/570758352.db2.gz PTBMQHBDXFGMPX-IBGZPJMESA-N 1 0 374.916 3.621 50 0 FHAARO COc1cccc(C(=O)[C@H]2CCCN(Cc3ccc(OC)c(O)c3)C2)c1 ZINC000012757392 570760071 /nfs/dbraw/zinc/76/00/71/570760071.db2.gz SZLNMGZIWFEMNU-KRWDZBQOSA-N 1 0 355.434 3.504 50 0 FHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000012758120 570760083 /nfs/dbraw/zinc/76/00/83/570760083.db2.gz QZOKPRBMOIMNSR-OAQYLSRUSA-N 1 0 361.432 3.791 50 0 FHAARO Clc1ccccc1Cc1nc(-c2ccc(O[C@H]3CC[NH2+]C3)cc2)no1 ZINC000169676838 570801683 /nfs/dbraw/zinc/80/16/83/570801683.db2.gz DXMJOQWJHWLLTH-INIZCTEOSA-N 1 0 355.825 3.722 50 0 FHAARO Cc1csc(CCCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000174498560 570807923 /nfs/dbraw/zinc/80/79/23/570807923.db2.gz PDPONGFZQYZQNO-SFHVURJKSA-N 1 0 357.523 3.555 50 0 FHAARO Cc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1N1CC[NH+](C)CC1 ZINC000032843491 570820563 /nfs/dbraw/zinc/82/05/63/570820563.db2.gz RRYNIUUMJUKOLG-UHFFFAOYSA-N 1 0 361.848 3.792 50 0 FHAARO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1O ZINC000004554000 570833552 /nfs/dbraw/zinc/83/35/52/570833552.db2.gz ICDMGXTXVZYCDH-KRWDZBQOSA-N 1 0 373.478 3.658 50 0 FHAARO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000032891648 570837309 /nfs/dbraw/zinc/83/73/09/570837309.db2.gz ISDDDPSIPDKRQV-LHUKNYEISA-N 1 0 358.526 3.901 50 0 FHAARO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000032899656 570839458 /nfs/dbraw/zinc/83/94/58/570839458.db2.gz BMNMWIVEBXZKOA-RBBKRZOGSA-N 1 0 353.462 3.678 50 0 FHAARO CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984249 570865515 /nfs/dbraw/zinc/86/55/15/570865515.db2.gz XZLQKQCDIHCOQB-LEWJYISDSA-N 1 0 370.468 3.982 50 0 FHAARO Cc1ccc(NC(=O)[C@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000032927276 570867858 /nfs/dbraw/zinc/86/78/58/570867858.db2.gz DGTATBUMLIIHQL-IBGZPJMESA-N 1 0 357.542 3.910 50 0 FHAARO COc1cccc(CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000032930751 570871219 /nfs/dbraw/zinc/87/12/19/570871219.db2.gz WFQROTVKNXKNQH-GOSISDBHSA-N 1 0 366.505 3.929 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(F)cc1Br ZINC000046989442 570878064 /nfs/dbraw/zinc/87/80/64/570878064.db2.gz CDLAJRHOYVSJIQ-CYBMUJFWSA-N 1 0 371.294 3.973 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(F)cc2Br)C1 ZINC000047416752 570887961 /nfs/dbraw/zinc/88/79/61/570887961.db2.gz VFHXSIRHPMZCBX-CHWSQXEVSA-N 1 0 371.294 3.686 50 0 FHAARO CN(C)c1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000047486723 570889427 /nfs/dbraw/zinc/88/94/27/570889427.db2.gz FSEOZOWHXLMGBQ-UHFFFAOYSA-N 1 0 370.472 3.678 50 0 FHAARO C[NH+](C)CCNC(=O)c1cc2sccc2n1Cc1ccc(Cl)cc1 ZINC000044900556 570902332 /nfs/dbraw/zinc/90/23/32/570902332.db2.gz QHXUSBJOFMWART-UHFFFAOYSA-N 1 0 361.898 3.696 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000045115953 570905786 /nfs/dbraw/zinc/90/57/86/570905786.db2.gz VLSREUWHCRIQLM-HXUWFJFHSA-N 1 0 365.477 3.605 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000045303630 570907811 /nfs/dbraw/zinc/90/78/11/570907811.db2.gz SPYVMOLQUJHPCT-UHFFFAOYSA-N 1 0 357.420 3.625 50 0 FHAARO CCCNC(=O)c1cccc(C[NH2+]Cc2cc(Br)cs2)c1 ZINC000047794104 570931472 /nfs/dbraw/zinc/93/14/72/570931472.db2.gz DKHZSKJNVPAVON-UHFFFAOYSA-N 1 0 367.312 3.940 50 0 FHAARO C[NH+](C)CCOc1ccc(CNC(=O)C2(c3cccc(Cl)c3)CC2)cc1 ZINC000048354238 570949244 /nfs/dbraw/zinc/94/92/44/570949244.db2.gz OFVZUEVXDPFHLH-UHFFFAOYSA-N 1 0 372.896 3.628 50 0 FHAARO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CCCn1cncn1 ZINC000048374840 570954479 /nfs/dbraw/zinc/95/44/79/570954479.db2.gz BXXSBQVAIMNUNC-QGZVFWFLSA-N 1 0 363.465 3.614 50 0 FHAARO Cc1cc(C)n(-c2ccc(N3CCC([NH2+]Cc4ccoc4)CC3)cc2)n1 ZINC000023128740 570956837 /nfs/dbraw/zinc/95/68/37/570956837.db2.gz CTVIJTQXXPJRNP-UHFFFAOYSA-N 1 0 350.466 3.841 50 0 FHAARO CC(=O)Nc1cc2ccccc2cc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000049634684 570965076 /nfs/dbraw/zinc/96/50/76/570965076.db2.gz HZIHFJLPTUOKRW-UHFFFAOYSA-N 1 0 367.493 3.793 50 0 FHAARO CC1(C)CC(NC(=O)c2ccc(COCC(F)(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000024028111 570969802 /nfs/dbraw/zinc/96/98/02/570969802.db2.gz JCFAIFHLVGLFBJ-UHFFFAOYSA-N 1 0 372.431 3.805 50 0 FHAARO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCc3ccccn3)c2)cc1 ZINC000024106081 570971782 /nfs/dbraw/zinc/97/17/82/570971782.db2.gz ZTTHWARYSLPPFS-UHFFFAOYSA-N 1 0 361.445 3.675 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000025421266 570995481 /nfs/dbraw/zinc/99/54/81/570995481.db2.gz PPNIPEYWHLLJCX-QGZVFWFLSA-N 1 0 374.868 3.534 50 0 FHAARO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c5ccccc5ncn4n3)C2)cc1 ZINC000039239688 570998927 /nfs/dbraw/zinc/99/89/27/570998927.db2.gz YIVPJHFQROUSRW-MRXNPFEDSA-N 1 0 361.424 3.796 50 0 FHAARO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000026114164 571003007 /nfs/dbraw/zinc/00/30/07/571003007.db2.gz NMYSKEHYZXNNRD-QGZVFWFLSA-N 1 0 358.526 3.874 50 0 FHAARO Cc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000027064373 571010264 /nfs/dbraw/zinc/01/02/64/571010264.db2.gz AHPVUARIZDXXEI-UHFFFAOYSA-N 1 0 374.488 3.575 50 0 FHAARO COc1cc(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)c(OC)cc1Cl ZINC000040023970 571010675 /nfs/dbraw/zinc/01/06/75/571010675.db2.gz MQCYSTIGVABESI-CYBMUJFWSA-N 1 0 369.893 3.743 50 0 FHAARO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000027333659 571011530 /nfs/dbraw/zinc/01/15/30/571011530.db2.gz USEMTEUXFTWTGY-YOEHRIQHSA-N 1 0 362.857 3.654 50 0 FHAARO Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000027344173 571012235 /nfs/dbraw/zinc/01/22/35/571012235.db2.gz UMTRXLZWTFIHSX-FQEVSTJZSA-N 1 0 372.896 3.981 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCCC2)cc1 ZINC000027667834 571018410 /nfs/dbraw/zinc/01/84/10/571018410.db2.gz CSPISBMLWUYQLR-OAQYLSRUSA-N 1 0 352.478 3.961 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000027793215 571021323 /nfs/dbraw/zinc/02/13/23/571021323.db2.gz JLTGRBMBTMIVMK-FQEVSTJZSA-N 1 0 372.896 3.981 50 0 FHAARO CCOc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)ccc1OC ZINC000072273506 571031265 /nfs/dbraw/zinc/03/12/65/571031265.db2.gz IDAOSINJHFJTNL-IBGZPJMESA-N 1 0 374.525 3.868 50 0 FHAARO NC(=O)[C@@H]([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000028823096 571034821 /nfs/dbraw/zinc/03/48/21/571034821.db2.gz OHWBGKONMFYEKL-FQEVSTJZSA-N 1 0 362.498 3.524 50 0 FHAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCN1CCc2ccccc2C1 ZINC000028925236 571035475 /nfs/dbraw/zinc/03/54/75/571035475.db2.gz RWQRZWNPOUJHJM-UHFFFAOYSA-N 1 0 374.532 3.696 50 0 FHAARO COc1ccc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1Br ZINC000008328790 571040612 /nfs/dbraw/zinc/04/06/12/571040612.db2.gz QSZVDWTXWCZWCZ-STQMWFEESA-N 1 0 355.301 3.961 50 0 FHAARO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)N1CCc2ccccc2C1 ZINC000001275932 571045553 /nfs/dbraw/zinc/04/55/53/571045553.db2.gz UFFZQDPZWYJGEY-HXUWFJFHSA-N 1 0 352.453 3.623 50 0 FHAARO Cn1nccc1CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000225572790 571046188 /nfs/dbraw/zinc/04/61/88/571046188.db2.gz XYAVSHDOVBOOMK-UHFFFAOYSA-N 1 0 371.488 3.947 50 0 FHAARO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000008529842 571049788 /nfs/dbraw/zinc/04/97/88/571049788.db2.gz WBVBHAGDBNEWTA-OAHLLOKOSA-N 1 0 356.466 3.725 50 0 FHAARO CN(C)c1cc(-c2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)ccn1 ZINC000083854217 571053236 /nfs/dbraw/zinc/05/32/36/571053236.db2.gz OJECVRRVYLISKB-SFHVURJKSA-N 1 0 363.465 3.577 50 0 FHAARO Cc1csc2c1ncn(CC[N@@H+]1CCC[C@H](c3ccccc3)C1)c2=O ZINC000032587160 571058608 /nfs/dbraw/zinc/05/86/08/571058608.db2.gz YLGFBHJAFOWRKZ-KRWDZBQOSA-N 1 0 353.491 3.646 50 0 FHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000225725024 571059642 /nfs/dbraw/zinc/05/96/42/571059642.db2.gz HZMHCFXLSBBMPE-KRWDZBQOSA-N 1 0 366.452 3.555 50 0 FHAARO COc1ccccc1OCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020118235 571070657 /nfs/dbraw/zinc/07/06/57/571070657.db2.gz RHJAROBUVDMTOC-UHFFFAOYSA-N 1 0 354.494 3.672 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000040070895 571072196 /nfs/dbraw/zinc/07/21/96/571072196.db2.gz WJCVNBNJUVWBDX-HNNXBMFYSA-N 1 0 356.413 3.729 50 0 FHAARO CC(=O)c1ccc(N2CC[NH+]([C@@H](C)CCc3ccc(O)cc3)CC2)cc1 ZINC000023282523 571073271 /nfs/dbraw/zinc/07/32/71/571073271.db2.gz RBAIMOYWWNZCBF-KRWDZBQOSA-N 1 0 352.478 3.738 50 0 FHAARO COc1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1OC ZINC000239432962 571074589 /nfs/dbraw/zinc/07/45/89/571074589.db2.gz WZXQIVKQISBHGM-TZIWHRDSSA-N 1 0 358.526 3.933 50 0 FHAARO CC[C@@H](C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000040089804 571074717 /nfs/dbraw/zinc/07/47/17/571074717.db2.gz BAOVIIWMMHTYKG-JOCHJYFZSA-N 1 0 365.521 3.956 50 0 FHAARO CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000040104069 571076901 /nfs/dbraw/zinc/07/69/01/571076901.db2.gz RMNCABHGMXQTCS-UHFFFAOYSA-N 1 0 370.472 3.632 50 0 FHAARO Cc1c(C(=O)NC2CC[NH+](C(C)C)CC2)sc2nc(C3CC3)nc(C)c12 ZINC000012755686 571077749 /nfs/dbraw/zinc/07/77/49/571077749.db2.gz ISAZWYWOLHYFJL-UHFFFAOYSA-N 1 0 372.538 3.788 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cnc(-c2ccccc2)s1)c1ccsc1 ZINC000040108711 571078471 /nfs/dbraw/zinc/07/84/71/571078471.db2.gz CDAYPLRABVMEKJ-OAHLLOKOSA-N 1 0 357.504 3.904 50 0 FHAARO CC1CC[NH+](CCCCNC(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000040120495 571080545 /nfs/dbraw/zinc/08/05/45/571080545.db2.gz CZISPTPGYZNMKB-UHFFFAOYSA-N 1 0 355.429 3.922 50 0 FHAARO C[C@@H](SCc1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000040143453 571084891 /nfs/dbraw/zinc/08/48/91/571084891.db2.gz ANSLFBPJQQBUIA-DNVCBOLYSA-N 1 0 360.498 3.867 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000012767730 571086558 /nfs/dbraw/zinc/08/65/58/571086558.db2.gz CPKLGOUETPUHMD-KRWDZBQOSA-N 1 0 355.438 3.620 50 0 FHAARO OC1CC[NH+](CCCNc2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000040152824 571086873 /nfs/dbraw/zinc/08/68/73/571086873.db2.gz BYOZKFLEZDKTRX-UHFFFAOYSA-N 1 0 368.506 3.617 50 0 FHAARO FC(F)n1ccnc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000084598440 571091798 /nfs/dbraw/zinc/09/17/98/571091798.db2.gz LYIWIKKYFATGOY-UHFFFAOYSA-N 1 0 356.420 3.749 50 0 FHAARO C[NH+](C)C[C@H](NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1ccccc1 ZINC000012773404 571092557 /nfs/dbraw/zinc/09/25/57/571092557.db2.gz UQAAGQFAFKMHHT-IBGZPJMESA-N 1 0 367.493 3.704 50 0 FHAARO CCOc1cc(C[NH2+]CCCOC)cc(Br)c1OC(C)C ZINC000040729133 571093624 /nfs/dbraw/zinc/09/36/24/571093624.db2.gz JNQHTPWOUMYSIM-UHFFFAOYSA-N 1 0 360.292 3.761 50 0 FHAARO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000229696687 571095044 /nfs/dbraw/zinc/09/50/44/571095044.db2.gz ISDDDPSIPDKRQV-JJDSTIRJSA-N 1 0 358.526 3.901 50 0 FHAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000040742557 571095510 /nfs/dbraw/zinc/09/55/10/571095510.db2.gz ORBSJSYJFMECMD-UHFFFAOYSA-N 1 0 374.239 3.802 50 0 FHAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040742759 571095701 /nfs/dbraw/zinc/09/57/01/571095701.db2.gz DVYWIEYZROKNEU-UHFFFAOYSA-N 1 0 356.249 3.663 50 0 FHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(-n3nc(C)cc3C)c2)[C@H](C)C1 ZINC000084780025 571100080 /nfs/dbraw/zinc/10/00/80/571100080.db2.gz VAULPUZGMTZBRF-QRWLVFNGSA-N 1 0 369.513 3.683 50 0 FHAARO CCCNC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012437457 571104614 /nfs/dbraw/zinc/10/46/14/571104614.db2.gz MQMZTNPREKCXDY-QGZVFWFLSA-N 1 0 351.922 3.646 50 0 FHAARO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000044919775 571104913 /nfs/dbraw/zinc/10/49/13/571104913.db2.gz MNZUUFSEXIWJPK-UHFFFAOYSA-N 1 0 352.478 3.614 50 0 FHAARO CC(C)c1nc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)no1 ZINC000426635320 571105618 /nfs/dbraw/zinc/10/56/18/571105618.db2.gz JJRJGVNUFWPLIG-FQEVSTJZSA-N 1 0 358.461 3.825 50 0 FHAARO CC(C)c1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)CC2)no1 ZINC000241371376 571109963 /nfs/dbraw/zinc/10/99/63/571109963.db2.gz MNBPGSWTVDXBBW-GOSISDBHSA-N 1 0 355.482 3.925 50 0 FHAARO O=c1cc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)c2cc3c(cc2o1)CCC3 ZINC000009482049 571110766 /nfs/dbraw/zinc/11/07/66/571110766.db2.gz MOJJVLQAVULOLV-IAGOWNOFSA-N 1 0 354.475 3.785 50 0 FHAARO C[C@@H](C(=O)NCc1cc(-c2ccccc2Cl)no1)[NH+]1CCCCCC1 ZINC000244633155 571113908 /nfs/dbraw/zinc/11/39/08/571113908.db2.gz FXRIAELIYCPNTM-AWEZNQCLSA-N 1 0 361.873 3.876 50 0 FHAARO O=C(CC[NH+]1CCCCCCC1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000055053397 571115780 /nfs/dbraw/zinc/11/57/80/571115780.db2.gz YDPKSUUGHFFCAB-QFIPXVFZSA-N 1 0 351.494 3.943 50 0 FHAARO COc1cccc(-c2cccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000244796091 571117293 /nfs/dbraw/zinc/11/72/93/571117293.db2.gz RSNZRWCHSONQMN-IBGZPJMESA-N 1 0 351.450 3.674 50 0 FHAARO Cc1cc(C)n(-c2cccc(CN3CCC([NH+]4CCSCC4)CC3)c2)n1 ZINC000244816912 571117763 /nfs/dbraw/zinc/11/77/63/571117763.db2.gz SQYPCCAVCFXAGN-UHFFFAOYSA-N 1 0 370.566 3.502 50 0 FHAARO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccc(-n2cccn2)cc1 ZINC000244816946 571117777 /nfs/dbraw/zinc/11/77/77/571117777.db2.gz SRPZQAHJYTWBEY-UHFFFAOYSA-N 1 0 368.868 3.986 50 0 FHAARO Cc1ccccc1-n1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cn1 ZINC000055211526 571117906 /nfs/dbraw/zinc/11/79/06/571117906.db2.gz LZELFJZWGYXUPU-UHFFFAOYSA-N 1 0 361.424 4.000 50 0 FHAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N(Cc1nccs1)Cc1ccccc1 ZINC000055256011 571118815 /nfs/dbraw/zinc/11/88/15/571118815.db2.gz NUWBSYGKEPTOIL-SFHVURJKSA-N 1 0 357.523 3.936 50 0 FHAARO C[NH+]1CCC(OCCCNC(=O)[C@@]2(c3ccccc3)CC23CCCC3)CC1 ZINC000244882533 571119093 /nfs/dbraw/zinc/11/90/93/571119093.db2.gz XTPDXAFHXFMIPQ-QHCPKHFHSA-N 1 0 370.537 3.506 50 0 FHAARO C[C@@H](c1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)o1)[NH+]1CCCCC1 ZINC000055392917 571120257 /nfs/dbraw/zinc/12/02/57/571120257.db2.gz QMDFQRMRGUTCES-HNNXBMFYSA-N 1 0 370.449 3.827 50 0 FHAARO Cc1ccccc1CN(CC[NH+](C)C)Cc1c(Cl)nc2sccn12 ZINC000055393709 571120425 /nfs/dbraw/zinc/12/04/25/571120425.db2.gz QVPGFHFSCGYYAE-UHFFFAOYSA-N 1 0 362.930 3.921 50 0 FHAARO Cc1cc(=O)oc2cc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)ccc12 ZINC000058066995 571125070 /nfs/dbraw/zinc/12/50/70/571125070.db2.gz OEDSFEKBYGSHQI-HNNXBMFYSA-N 1 0 371.462 3.587 50 0 FHAARO Cc1ccc(Cn2nc(C[NH2+]C[C@H]3CCCO3)c(-c3ccccc3)n2)cc1 ZINC000248092952 571127836 /nfs/dbraw/zinc/12/78/36/571127836.db2.gz LXFKQBUGKCUDJF-HXUWFJFHSA-N 1 0 362.477 3.570 50 0 FHAARO COc1ccc(C[NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)cc1O ZINC000058216770 571129452 /nfs/dbraw/zinc/12/94/52/571129452.db2.gz KQXFVKNSVNJVQD-UHFFFAOYSA-N 1 0 371.477 3.556 50 0 FHAARO CCCN(CCC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000249701559 571129547 /nfs/dbraw/zinc/12/95/47/571129547.db2.gz YNSXSEVICSOXRB-SFHVURJKSA-N 1 0 370.541 3.917 50 0 FHAARO COc1ccc(C[N@H+](C[C@H]2CCCOC2)C2CCCC2)c(OC)c1OC ZINC000252495622 571133522 /nfs/dbraw/zinc/13/35/22/571133522.db2.gz OUPCZXKSXNJOQM-MRXNPFEDSA-N 1 0 363.498 3.884 50 0 FHAARO Cc1ccc(NC(=O)CC[NH+]2CCC(c3ccnc(C)n3)CC2)c(C)c1 ZINC000252509830 571133814 /nfs/dbraw/zinc/13/38/14/571133814.db2.gz YWKYWRKJRDIREB-UHFFFAOYSA-N 1 0 352.482 3.610 50 0 FHAARO COc1cc2c(cc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1)O[C@@H](C)C2 ZINC000025355207 571144742 /nfs/dbraw/zinc/14/47/42/571144742.db2.gz XMPLALCPPFBONS-LPHOPBHVSA-N 1 0 370.493 3.928 50 0 FHAARO C[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000052588691 571146783 /nfs/dbraw/zinc/14/67/83/571146783.db2.gz OJLHVKSRFMJPSC-CYBMUJFWSA-N 1 0 356.297 3.762 50 0 FHAARO COCCNC(=O)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669585 571147562 /nfs/dbraw/zinc/14/75/62/571147562.db2.gz KHOMTMIIGQZDQS-PZJWPPBQSA-N 1 0 370.468 3.542 50 0 FHAARO COc1ccccc1NC(=O)C1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000052641792 571147812 /nfs/dbraw/zinc/14/78/12/571147812.db2.gz ZPSNMRGEGSYDPO-PXNSSMCTSA-N 1 0 374.525 3.941 50 0 FHAARO Cc1oc2c(c1C(=O)NC1CCCC1)CN(Cc1ccc(F)cc1)CC2 ZINC000065291948 571151311 /nfs/dbraw/zinc/15/13/11/571151311.db2.gz YQKQLOPDGCTRCU-UHFFFAOYSA-N 1 0 356.441 3.958 50 0 FHAARO COc1ccc(Cl)cc1C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023014458 571153098 /nfs/dbraw/zinc/15/30/98/571153098.db2.gz DSLRSRPARHKNJL-UHFFFAOYSA-N 1 0 350.890 3.733 50 0 FHAARO O=C(COc1ccc2ccccc2c1)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023014406 571153138 /nfs/dbraw/zinc/15/31/38/571153138.db2.gz AGKGTADWJHQWLI-UHFFFAOYSA-N 1 0 366.505 3.989 50 0 FHAARO C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000069116261 571154045 /nfs/dbraw/zinc/15/40/45/571154045.db2.gz SWNBHHWRMNDNEI-GOSISDBHSA-N 1 0 366.509 3.670 50 0 FHAARO CCC(CC)c1cc(C(=O)N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)on1 ZINC000075107354 571155319 /nfs/dbraw/zinc/15/53/19/571155319.db2.gz NCLFMCVLRKMYNL-RTBURBONSA-N 1 0 367.493 3.782 50 0 FHAARO CCOc1ccccc1C[NH+]1CCC(C(=O)N(C)Cc2ccccc2)CC1 ZINC000004690620 571162552 /nfs/dbraw/zinc/16/25/52/571162552.db2.gz SFFBJZHDYYLQRH-UHFFFAOYSA-N 1 0 366.505 3.956 50 0 FHAARO Cc1ccc(NC(=O)C[NH2+]CCOC23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000035395581 571167933 /nfs/dbraw/zinc/16/79/33/571167933.db2.gz QRROKJMENILPDK-UHFFFAOYSA-N 1 0 356.510 3.817 50 0 FHAARO Cc1cccc(C[NH+]2CCN(Cc3cc4cc(F)ccc4n3C)CC2)c1 ZINC000072121566 571170091 /nfs/dbraw/zinc/17/00/91/571170091.db2.gz SMBQYKRBRYHSQL-UHFFFAOYSA-N 1 0 351.469 3.944 50 0 FHAARO Cc1cccc2[nH]c([C@H]3CCC[N@@H+](Cc4cnc(N(C)C)s4)C3)nc21 ZINC000072125569 571170390 /nfs/dbraw/zinc/17/03/90/571170390.db2.gz QEKITBDCPHQYCC-AWEZNQCLSA-N 1 0 355.511 3.773 50 0 FHAARO c1ccc(-c2nc3c(c(N[C@H]4CCCc5ccccc54)n2)CC[NH2+]C3)nc1 ZINC000072132105 571171165 /nfs/dbraw/zinc/17/11/65/571171165.db2.gz BGZADDPEHPDWIU-SFHVURJKSA-N 1 0 357.461 3.674 50 0 FHAARO O[C@H]1Cc2ccccc2C12CC[NH+](Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000072133730 571171401 /nfs/dbraw/zinc/17/14/01/571171401.db2.gz FSBLMKVIWDFMPJ-FQEVSTJZSA-N 1 0 365.502 3.589 50 0 FHAARO CC[C@@H]1Cn2c(C(=O)NCC[N@H+](C)C3CCCCC3)cc3cccc(c32)O1 ZINC000035477436 571171574 /nfs/dbraw/zinc/17/15/74/571171574.db2.gz HWLORIRTKRZUNO-GOSISDBHSA-N 1 0 369.509 3.807 50 0 FHAARO O=C(NCCc1cccc(C(F)(F)F)c1)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072144224 571172336 /nfs/dbraw/zinc/17/23/36/571172336.db2.gz PDMPLQLHAKBSJF-OAHLLOKOSA-N 1 0 362.395 3.755 50 0 FHAARO Cc1ccc([C@@H]2CN(C(=O)c3ccccc3F)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072144387 571172378 /nfs/dbraw/zinc/17/23/78/571172378.db2.gz CXXAAHGHSHIYNP-KSEOMHKRSA-N 1 0 364.464 3.837 50 0 FHAARO O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072144493 571172703 /nfs/dbraw/zinc/17/27/03/571172703.db2.gz XUIYPFVXJWVCOI-HNNXBMFYSA-N 1 0 354.881 3.879 50 0 FHAARO COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000072144969 571172710 /nfs/dbraw/zinc/17/27/10/571172710.db2.gz DUSPCJULLXZOCN-HXUWFJFHSA-N 1 0 363.461 3.820 50 0 FHAARO COc1ccccc1-c1cccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000072149133 571174074 /nfs/dbraw/zinc/17/40/74/571174074.db2.gz LDHAHFIHAWCPFC-IBGZPJMESA-N 1 0 352.478 3.919 50 0 FHAARO Fc1cccc(CN2CCN(Cc3cc(C[NH+]4CCCC4)cs3)CC2)c1 ZINC000072158299 571175441 /nfs/dbraw/zinc/17/54/41/571175441.db2.gz DDBHDLORJAXBOF-UHFFFAOYSA-N 1 0 373.541 3.801 50 0 FHAARO CCn1ncc(C[N@@H+]2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1C ZINC000072169292 571177336 /nfs/dbraw/zinc/17/73/36/571177336.db2.gz YCPCZVYIPXZAOZ-DNVJHFABSA-N 1 0 364.537 3.582 50 0 FHAARO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCc2ccccc2C1 ZINC000004725562 571177983 /nfs/dbraw/zinc/17/79/83/571177983.db2.gz MJCARDRISBYONG-UHFFFAOYSA-N 1 0 352.453 3.623 50 0 FHAARO Cc1cc(C[NH+]2CCC(CNC(=O)/C=C/c3cccs3)CC2)c(C)o1 ZINC000043972456 571178363 /nfs/dbraw/zinc/17/83/63/571178363.db2.gz XZJZVZJJURHCEO-AATRIKPKSA-N 1 0 358.507 4.000 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2C)CC1 ZINC000012554589 571180758 /nfs/dbraw/zinc/18/07/58/571180758.db2.gz HFIAAHHMJUQZKJ-GOSISDBHSA-N 1 0 367.493 3.543 50 0 FHAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3cc4c(c(OC)c3)OCO4)c2c1 ZINC000003622374 571185931 /nfs/dbraw/zinc/18/59/31/571185931.db2.gz IPFIQMHJJGTQGQ-UHFFFAOYSA-N 1 0 368.433 3.555 50 0 FHAARO C[C@@H](c1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)o1)[NH+]1CCCCC1 ZINC000072424368 571194008 /nfs/dbraw/zinc/19/40/08/571194008.db2.gz MQWCRXGWKFPKFA-HNNXBMFYSA-N 1 0 356.470 3.569 50 0 FHAARO Cc1cc2nc(C(C)C)cc(NC3CC[NH+](Cc4ccccn4)CC3)n2n1 ZINC000072432522 571195852 /nfs/dbraw/zinc/19/58/52/571195852.db2.gz PHDFSJZVHSBVLM-UHFFFAOYSA-N 1 0 364.497 3.633 50 0 FHAARO CCc1cc(NC2CC[NH+](Cc3ccccc3F)CC2)n2nccc2n1 ZINC000072453771 571197226 /nfs/dbraw/zinc/19/72/26/571197226.db2.gz OFQXMXQDSVWXMF-UHFFFAOYSA-N 1 0 353.445 3.507 50 0 FHAARO O=C(Cc1cccc2ccccc21)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053990177 571197414 /nfs/dbraw/zinc/19/74/14/571197414.db2.gz AUVGWQURXUMTDC-UHFFFAOYSA-N 1 0 359.473 3.558 50 0 FHAARO Clc1ccccc1C1(c2ccnc(-c3ccccn3)n2)CC[NH2+]CC1 ZINC000072474137 571198895 /nfs/dbraw/zinc/19/88/95/571198895.db2.gz JKNQFQWQDKYLRW-UHFFFAOYSA-N 1 0 350.853 3.862 50 0 FHAARO CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CC[NH2+]CC1 ZINC000077010832 571205801 /nfs/dbraw/zinc/20/58/01/571205801.db2.gz GVVORTNSYMTDDJ-UHFFFAOYSA-N 1 0 354.469 3.930 50 0 FHAARO CCCc1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)n(C)n1 ZINC000077298608 571206441 /nfs/dbraw/zinc/20/64/41/571206441.db2.gz VRRLMOXIYVYDAN-FQEVSTJZSA-N 1 0 368.525 3.802 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cc4ccccc4s3)[C@H]1C[C@H](NC(C)=O)CC2 ZINC000534665515 571208498 /nfs/dbraw/zinc/20/84/98/571208498.db2.gz LNJGDQBUPKEEPG-LSTHTHJFSA-N 1 0 358.507 3.549 50 0 FHAARO C/C=C/C(=O)N(CC(C)C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000534671189 571208751 /nfs/dbraw/zinc/20/87/51/571208751.db2.gz SQSYCNUZJUENLF-VMPITWQZSA-N 1 0 358.526 3.968 50 0 FHAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc(-c2ccccc2)on1 ZINC000077378686 571209331 /nfs/dbraw/zinc/20/93/31/571209331.db2.gz CWEXSJHAXOQQQN-MRXNPFEDSA-N 1 0 361.445 3.518 50 0 FHAARO CC[C@H](C)[NH2+]C[C@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000006553076 571209340 /nfs/dbraw/zinc/20/93/40/571209340.db2.gz CIBXAFWEOIRJJM-LPHOPBHVSA-N 1 0 373.493 3.559 50 0 FHAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CCCC2)s1 ZINC000077408130 571210735 /nfs/dbraw/zinc/21/07/35/571210735.db2.gz UUFRBPTYABMHGI-KRWDZBQOSA-N 1 0 359.543 3.693 50 0 FHAARO C(c1nnc(C2CC[NH+](C3CCCCC3)CC2)n1C1CC1)N1CCCC1 ZINC000077420640 571210759 /nfs/dbraw/zinc/21/07/59/571210759.db2.gz VTYJHZDZAGYZEH-UHFFFAOYSA-N 1 0 357.546 3.721 50 0 FHAARO Cc1c(C[N@@H+]2CCCC[C@H]2CCN2CCOCC2)[nH]c2ccc(F)cc12 ZINC000077436770 571211363 /nfs/dbraw/zinc/21/13/63/571211363.db2.gz KFWPSMLGOJKHFY-SFHVURJKSA-N 1 0 359.489 3.692 50 0 FHAARO CCCNc1ncc(C[NH+]2CCC(c3nc4cc(F)ccc4[nH]3)CC2)cn1 ZINC000077489969 571213845 /nfs/dbraw/zinc/21/38/45/571213845.db2.gz LXQDFEGHHBAYKR-UHFFFAOYSA-N 1 0 368.460 3.694 50 0 FHAARO CCn1cc(-c2cccc(C(=O)N3CCCC[C@H]3C[NH+]3CCCC3)c2)cn1 ZINC000426380675 571217141 /nfs/dbraw/zinc/21/71/41/571217141.db2.gz RGDNTAWEJCTFCA-NRFANRHFSA-N 1 0 366.509 3.661 50 0 FHAARO O=C(CCC(=O)Nc1ccccc1)NC[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000426387978 571218460 /nfs/dbraw/zinc/21/84/60/571218460.db2.gz QQVNEORQUHRCTN-GOSISDBHSA-N 1 0 371.525 3.566 50 0 FHAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)NCc1c(F)cccc1F ZINC000426394777 571219180 /nfs/dbraw/zinc/21/91/80/571219180.db2.gz ZERFEALGVXVPMQ-UHFFFAOYSA-N 1 0 367.465 3.608 50 0 FHAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(-c3cc(F)c(F)cc3O)cc1)C2 ZINC000426444831 571225954 /nfs/dbraw/zinc/22/59/54/571225954.db2.gz ATBMNCMPWJRBDN-JKSUJKDBSA-N 1 0 372.415 3.646 50 0 FHAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000426471051 571226803 /nfs/dbraw/zinc/22/68/03/571226803.db2.gz TVJWTWQHEJMZRT-HXUWFJFHSA-N 1 0 351.494 3.902 50 0 FHAARO CC(C)(C)c1ccc2oc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)nc2c1 ZINC000082093079 571227853 /nfs/dbraw/zinc/22/78/53/571227853.db2.gz YYTDDOHZALOPND-MRXNPFEDSA-N 1 0 358.482 3.943 50 0 FHAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)o1 ZINC000082092755 571227947 /nfs/dbraw/zinc/22/79/47/571227947.db2.gz HSBIQLJNUTYFIV-HNNXBMFYSA-N 1 0 353.466 3.980 50 0 FHAARO COc1cccc(-c2ncc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)s2)c1 ZINC000082099268 571228155 /nfs/dbraw/zinc/22/81/55/571228155.db2.gz ITGSNCBBDLCJMY-INIZCTEOSA-N 1 0 374.506 3.637 50 0 FHAARO c1cc2c(ncnc2NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)s1 ZINC000082097123 571228162 /nfs/dbraw/zinc/22/81/62/571228162.db2.gz LIVPIUQRBPDJLF-UHFFFAOYSA-N 1 0 368.510 3.648 50 0 FHAARO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3nc4ccccc4[nH]3)cc1)C2 ZINC000426508145 571229089 /nfs/dbraw/zinc/22/90/89/571229089.db2.gz UJRINCAVRNAEPK-QHCPKHFHSA-N 1 0 374.488 3.788 50 0 FHAARO COc1ccc(/C=C/C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)cc1 ZINC000082138448 571229148 /nfs/dbraw/zinc/22/91/48/571229148.db2.gz IXDZVMSZQUYDRH-SNAWJCMRSA-N 1 0 363.461 3.607 50 0 FHAARO COc1cccc(-c2ccc(C(=O)N3CCC[C@@]4(CC[N@H+](C)C4)C3)cc2)c1 ZINC000426604512 571233126 /nfs/dbraw/zinc/23/31/26/571233126.db2.gz OFLWKLFQIOBWAK-QHCPKHFHSA-N 1 0 364.489 3.920 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cccc(F)c3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426689249 571235302 /nfs/dbraw/zinc/23/53/02/571235302.db2.gz MXNXIXLTRSMPKZ-SVFBPWRDSA-N 1 0 356.441 3.812 50 0 FHAARO CC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000426716289 571236457 /nfs/dbraw/zinc/23/64/57/571236457.db2.gz YVCWHYVRRHKVIV-LJQANCHMSA-N 1 0 366.436 3.616 50 0 FHAARO CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cccc(OCC[NH3+])c1 ZINC000426746335 571236883 /nfs/dbraw/zinc/23/68/83/571236883.db2.gz SFACJOQGECURAH-UHFFFAOYSA-N 1 0 360.457 3.963 50 0 FHAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cccc(O)c3)CC2)C1 ZINC000091289574 571238830 /nfs/dbraw/zinc/23/88/30/571238830.db2.gz WZSOVPCDPGWNMO-FQEVSTJZSA-N 1 0 364.489 3.734 50 0 FHAARO O[C@@H](COCc1ccco1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000036031323 571238917 /nfs/dbraw/zinc/23/89/17/571238917.db2.gz PCRSBMDRNJQNDX-OAQYLSRUSA-N 1 0 351.446 3.860 50 0 FHAARO [NH3+][C@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1C1CC1 ZINC000091468319 571239899 /nfs/dbraw/zinc/23/98/99/571239899.db2.gz FBRAZTBCZMTVLO-OLZOCXBDSA-N 1 0 366.305 3.534 50 0 FHAARO Fc1c(Cl)cccc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091562930 571240494 /nfs/dbraw/zinc/24/04/94/571240494.db2.gz WSHMJYGTBVIKHF-MAUKXSAKSA-N 1 0 359.876 3.971 50 0 FHAARO CCn1ccc2c1cccc2C[N@@H+]1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 ZINC000091736438 571243028 /nfs/dbraw/zinc/24/30/28/571243028.db2.gz LTSAXPLOQYXRQO-IEBWSBKVSA-N 1 0 361.493 3.552 50 0 FHAARO CC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169681697 571247070 /nfs/dbraw/zinc/24/70/70/571247070.db2.gz KUKMVOKGXBWVIL-WIYYLYMNSA-N 1 0 357.494 3.873 50 0 FHAARO OCCC[NH+]1CCN(C2=Cc3ccccc3Sc3sccc32)CC1 ZINC000006928050 571254872 /nfs/dbraw/zinc/25/48/72/571254872.db2.gz NGAOORFMYDXBHN-UHFFFAOYSA-N 1 0 358.532 3.711 50 0 FHAARO COc1cc(C[NH2+]CCc2c(C)[nH]c3ccc(F)cc32)cc(OC)c1OC ZINC000036657734 571260151 /nfs/dbraw/zinc/26/01/51/571260151.db2.gz PCNLIXHIKNPPRY-UHFFFAOYSA-N 1 0 372.440 3.974 50 0 FHAARO COc1ccc2ccccc2c1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000170091592 571262337 /nfs/dbraw/zinc/26/23/37/571262337.db2.gz VOYPJFCQBFFSOG-FQEVSTJZSA-N 1 0 351.450 3.517 50 0 FHAARO O=C(CCC(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448132 571265674 /nfs/dbraw/zinc/26/56/74/571265674.db2.gz ISNJIKOYRPBTLM-UHFFFAOYSA-N 1 0 364.489 3.952 50 0 FHAARO CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000037222259 571266071 /nfs/dbraw/zinc/26/60/71/571266071.db2.gz BMFOXBJYAQQZII-FUHWJXTLSA-N 1 0 373.541 3.601 50 0 FHAARO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613594 571267983 /nfs/dbraw/zinc/26/79/83/571267983.db2.gz ILVGJMCPDZFZOX-MOPGFXCFSA-N 1 0 367.493 3.655 50 0 FHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@](C)(c2nc(-c3ccccc3)no2)C1 ZINC000075876549 571272466 /nfs/dbraw/zinc/27/24/66/571272466.db2.gz OPWBNEGYMKTRBO-HXUWFJFHSA-N 1 0 352.438 3.895 50 0 FHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000089977173 571274645 /nfs/dbraw/zinc/27/46/45/571274645.db2.gz WRXZJVQSVRWRSR-HIFRSBDPSA-N 1 0 373.419 3.822 50 0 FHAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc(Br)cc1Cl ZINC000002822450 571275743 /nfs/dbraw/zinc/27/57/43/571275743.db2.gz ULZDVZIPOGMKHQ-LLVKDONJSA-N 1 0 350.684 3.886 50 0 FHAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000237519497 571277216 /nfs/dbraw/zinc/27/72/16/571277216.db2.gz HOOBDFSUJDGDDA-YOEHRIQHSA-N 1 0 363.436 3.993 50 0 FHAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000237491502 571277263 /nfs/dbraw/zinc/27/72/63/571277263.db2.gz DOVVTXASCQVLFW-JQWIXIFHSA-N 1 0 371.428 3.586 50 0 FHAARO COc1cccc(N(C(C)=O)C2CCN(Cc3ccc(F)cc3F)CC2)c1 ZINC000037580736 571288387 /nfs/dbraw/zinc/28/83/87/571288387.db2.gz XJGFNKPJLKQYHX-UHFFFAOYSA-N 1 0 374.431 3.991 50 0 FHAARO CCc1c(-c2ccccc2)[n+](=O)c(-c2ccc(OC)c(OC)c2)c(C)n1O ZINC000136087753 571309251 /nfs/dbraw/zinc/30/92/51/571309251.db2.gz GRZGUKVGEXUQMD-UHFFFAOYSA-N 1 0 367.425 3.862 50 0 FHAARO CC[C@H]1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000253370732 571311765 /nfs/dbraw/zinc/31/17/65/571311765.db2.gz VGCWVKRFARFXNT-SUMWQHHRSA-N 1 0 365.930 3.935 50 0 FHAARO COc1ccc(CN(C(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000584886466 571313925 /nfs/dbraw/zinc/31/39/25/571313925.db2.gz YXAFGDZLSARFGE-SFHVURJKSA-N 1 0 371.525 3.634 50 0 FHAARO O=C(c1cccc(-c2ccc(-c3cnco3)s2)c1)N1CCC[NH2+]CC1 ZINC000584890646 571314510 /nfs/dbraw/zinc/31/45/10/571314510.db2.gz KVUHFJWAFSAAEM-UHFFFAOYSA-N 1 0 353.447 3.506 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nc(C)nc3ccccc32)cc1 ZINC000584892955 571314990 /nfs/dbraw/zinc/31/49/90/571314990.db2.gz FMGPTEFNUWQEBF-LJQANCHMSA-N 1 0 374.488 3.819 50 0 FHAARO Cc1ccc([C@H](Cn2cnc3cccnc3c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000584896838 571315473 /nfs/dbraw/zinc/31/54/73/571315473.db2.gz KOVBCFFEQZHPAT-FQEVSTJZSA-N 1 0 362.477 3.573 50 0 FHAARO Cc1cccc(-c2ncc(C[NH2+]CCc3nc4c(cccc4C)[nH]3)cn2)c1 ZINC000055107624 571319944 /nfs/dbraw/zinc/31/99/44/571319944.db2.gz VQTYOGBUMGLKNM-UHFFFAOYSA-N 1 0 357.461 3.969 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(Cn3cccn3)c2)cc1 ZINC000055172046 571321102 /nfs/dbraw/zinc/32/11/02/571321102.db2.gz HPWFOLSTQTWCPR-UHFFFAOYSA-N 1 0 361.424 3.750 50 0 FHAARO Cc1ccc2c(=O)c(C[NH+]3CCN(c4ccccc4)CC3)c(C)[nH]c2c1C ZINC000019793691 571327343 /nfs/dbraw/zinc/32/73/43/571327343.db2.gz MZZOINSBOZHVAN-UHFFFAOYSA-N 1 0 361.489 3.776 50 0 FHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)C3CCCCC3)cc12 ZINC000020114395 571327982 /nfs/dbraw/zinc/32/79/82/571327982.db2.gz SHFYLDMJRJYEIP-UHFFFAOYSA-N 1 0 366.509 3.814 50 0 FHAARO COCc1ccccc1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000095452059 571329928 /nfs/dbraw/zinc/32/99/28/571329928.db2.gz KRUPRHSWUHGQLY-MSOLQXFVSA-N 1 0 367.493 3.960 50 0 FHAARO CC(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020806427 571331717 /nfs/dbraw/zinc/33/17/17/571331717.db2.gz WCIVUARKHXXQAB-NRFANRHFSA-N 1 0 372.484 3.511 50 0 FHAARO Cc1n[nH]cc1CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000095967263 571333174 /nfs/dbraw/zinc/33/31/74/571333174.db2.gz CVOIYUSMIQNESP-INIZCTEOSA-N 1 0 364.287 3.917 50 0 FHAARO CC[C@@H](C)[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)[C@@H](C)CC ZINC000095996018 571333602 /nfs/dbraw/zinc/33/36/02/571333602.db2.gz KMCKFRVZEATJEA-XHSDSOJGSA-N 1 0 350.503 3.780 50 0 FHAARO O=C(/C=C\c1ccccc1Cl)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000096401234 571335771 /nfs/dbraw/zinc/33/57/71/571335771.db2.gz XFSUQOUJGRHDAZ-HJWRWDBZSA-N 1 0 362.901 3.505 50 0 FHAARO O=C(Cc1ccccc1Cl)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225684857 571337855 /nfs/dbraw/zinc/33/78/55/571337855.db2.gz KUTASHGZNOVEIZ-IBGZPJMESA-N 1 0 354.881 3.542 50 0 FHAARO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000056172210 571339559 /nfs/dbraw/zinc/33/95/59/571339559.db2.gz KTBCDSDRBRUTJK-JKSUJKDBSA-N 1 0 365.477 3.866 50 0 FHAARO CC(=O)c1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000002636069 571339726 /nfs/dbraw/zinc/33/97/26/571339726.db2.gz MBZVNXOKCQGLDC-UHFFFAOYSA-N 1 0 367.518 3.840 50 0 FHAARO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC2CCCC2)cc1 ZINC000028877798 571341264 /nfs/dbraw/zinc/34/12/64/571341264.db2.gz AIJWKZCRCIIXAR-HOTGVXAUSA-N 1 0 359.514 3.693 50 0 FHAARO CC1CC[NH+](CCCNC(=O)CCn2c3ccccc3oc2=S)CC1 ZINC000002923424 571341758 /nfs/dbraw/zinc/34/17/58/571341758.db2.gz NFIZJHCTKRPKRC-UHFFFAOYSA-N 1 0 361.511 3.592 50 0 biogenic FHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056804816 571341773 /nfs/dbraw/zinc/34/17/73/571341773.db2.gz UQJKYJKUHCATAX-WMLDXEAASA-N 1 0 365.905 3.727 50 0 FHAARO O=C(NCCC[NH+]1CCCC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000003044521 571343972 /nfs/dbraw/zinc/34/39/72/571343972.db2.gz WJLPCYLPXLNXCH-UHFFFAOYSA-N 1 0 360.461 3.513 50 0 FHAARO Cc1cc(C)cc(NC(=S)N2CCC([N@H+](C)C[C@H]3CCCO3)CC2)c1 ZINC000003058174 571344372 /nfs/dbraw/zinc/34/43/72/571344372.db2.gz SPRHSJVJVAGNPM-LJQANCHMSA-N 1 0 361.555 3.575 50 0 FHAARO CCc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2c(C)nn(C)c2C)C(C)C)cc1 ZINC000057838681 571345576 /nfs/dbraw/zinc/34/55/76/571345576.db2.gz RSKSEBOYFLXSNO-DNVCBOLYSA-N 1 0 356.514 3.913 50 0 FHAARO CCOC(=O)c1c(C)c(C)sc1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000003268517 571346415 /nfs/dbraw/zinc/34/64/15/571346415.db2.gz MCCHZXAHRLXVED-UHFFFAOYSA-N 1 0 352.500 3.602 50 0 FHAARO COc1ccc(Cl)cc1C(=O)NCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000670435044 571346662 /nfs/dbraw/zinc/34/66/62/571346662.db2.gz FQZLGRKNGLPVLL-INIZCTEOSA-N 1 0 372.896 3.876 50 0 FHAARO C[C@@H](NC(=O)CN(C)Cc1ccc(Br)cc1)c1ccccc1 ZINC000003431413 571349595 /nfs/dbraw/zinc/34/95/95/571349595.db2.gz DTTMFMKEELJZBE-CQSZACIVSA-N 1 0 361.283 3.758 50 0 FHAARO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003434601 571349684 /nfs/dbraw/zinc/34/96/84/571349684.db2.gz WVFZAFPLXLNKJY-MRXNPFEDSA-N 1 0 366.461 3.697 50 0 FHAARO C[C@H]([NH2+]C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@@H](O)[C@@H]21)c1ccccc1 ZINC000004028413 571354132 /nfs/dbraw/zinc/35/41/32/571354132.db2.gz YSIINEYFHDVBCW-JQURXHQRSA-N 1 0 369.505 3.622 50 0 biogenic FHAARO CC[C@@H](CNC(=O)c1cc(-c2ccco2)on1)[N@@H+]1CCc2ccccc2C1 ZINC000032447465 571357565 /nfs/dbraw/zinc/35/75/65/571357565.db2.gz MDIVLNXRTSYKGO-KRWDZBQOSA-N 1 0 365.433 3.501 50 0 FHAARO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000007985279 571358140 /nfs/dbraw/zinc/35/81/40/571358140.db2.gz KEOPHVBCMOYRJP-INIZCTEOSA-N 1 0 350.466 3.965 50 0 FHAARO S=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H]1C[NH+]2CCC1CC2 ZINC000007989872 571358233 /nfs/dbraw/zinc/35/82/33/571358233.db2.gz SHAQOSUHSIUKEG-IBGZPJMESA-N 1 0 353.491 3.860 50 0 FHAARO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+]Cc1ccccn1)c1ccccc1 ZINC000008164247 571359683 /nfs/dbraw/zinc/35/96/83/571359683.db2.gz HXOHACQGXBNOGX-GMAHTHKFSA-N 1 0 362.473 3.647 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 ZINC000008266890 571360164 /nfs/dbraw/zinc/36/01/64/571360164.db2.gz DFLUGSSLHCVQAN-JOCHJYFZSA-N 1 0 374.488 3.782 50 0 FHAARO CC(C)[N@@H+]1CCC[C@H]1c1ccc(C(=O)NCc2ccc3nonc3c2)s1 ZINC000023158684 937083685 /nfs/dbraw/zinc/08/36/85/937083685.db2.gz UCCNBZDGFNEYEO-INIZCTEOSA-N 1 0 370.478 3.760 50 0 FHAARO CC(C)(CO)[C@@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000291091773 934044395 /nfs/dbraw/zinc/04/43/95/934044395.db2.gz HVZDQEMPIKMJOG-SFHVURJKSA-N 1 0 372.475 3.795 50 0 FHAARO COc1cccc2c1CCC[C@@H]2[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000194843359 939947324 /nfs/dbraw/zinc/94/73/24/939947324.db2.gz YBQCZMZABGOPFK-SFHVURJKSA-N 1 0 354.450 3.560 50 0 FHAARO COc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc(OC)c1C ZINC000177246915 940050720 /nfs/dbraw/zinc/05/07/20/940050720.db2.gz UOAXFESREBXDEC-UHFFFAOYSA-N 1 0 360.498 3.539 50 0 FHAARO CC[C@H]([NH2+]C1CCN(c2cc(C)nc(C)n2)CC1)c1ccc2c(c1)CCO2 ZINC000162252300 940124676 /nfs/dbraw/zinc/12/46/76/940124676.db2.gz GLNZEPKBOHRPKF-FQEVSTJZSA-N 1 0 366.509 3.738 50 0 FHAARO Cc1cc(C)c(C(=O)N2CCC[C@@H]3C[N@H+](CCc4ccccc4)CC[C@@H]32)[nH]1 ZINC000023338866 940235962 /nfs/dbraw/zinc/23/59/62/940235962.db2.gz OJRFKVCOBZXBAB-RTWAWAEBSA-N 1 0 365.521 3.801 50 0 FHAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000023506523 940489855 /nfs/dbraw/zinc/48/98/55/940489855.db2.gz SWFVJFZEARBBFO-IBGZPJMESA-N 1 0 366.509 3.789 50 0 FHAARO COc1cc(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)ccc1F ZINC000020538189 941896448 /nfs/dbraw/zinc/89/64/48/941896448.db2.gz UDEOWTLSSBHJQR-FQEVSTJZSA-N 1 0 354.469 3.857 50 0 FHAARO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000139834489 943500105 /nfs/dbraw/zinc/50/01/05/943500105.db2.gz QBUGBRAZGQNADI-LBPRGKRZSA-N 1 0 356.388 3.637 50 0 FHAARO C[N@H+](CCC1CCOCC1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000120586082 945617299 /nfs/dbraw/zinc/61/72/99/945617299.db2.gz ADYXNCONGDQVLM-GOSISDBHSA-N 1 0 350.890 3.584 50 0 FHAARO O=C(CCCc1c[nH]c2ccccc12)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000888088612 948003829 /nfs/dbraw/zinc/00/38/29/948003829.db2.gz IELOUCYTSDBCJI-WIYYLYMNSA-N 1 0 353.510 3.871 50 0 FHAARO O[C@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc(-c2ccccn2)cs1 ZINC000004916045 210081778 /nfs/dbraw/zinc/08/17/78/210081778.db2.gz ZVOIOUBKMZZODN-BONVTDFDSA-N 1 0 368.384 3.822 50 0 FHAARO C[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)cc1 ZINC000057336091 210071422 /nfs/dbraw/zinc/07/14/22/210071422.db2.gz ULSQLSFNWHWFCZ-CYBMUJFWSA-N 1 0 371.868 3.522 50 0 FHAARO CC1(C)CC2=C(CC[C@]3(O2)C(=O)CC(C)(C)[N+](=O)C3(C)C)C(C)(C)N1O ZINC000334157329 210048374 /nfs/dbraw/zinc/04/83/74/210048374.db2.gz YGXSTHUBXOZEAK-FQEVSTJZSA-N 1 0 365.494 3.751 50 0 FHAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OC1Cc2ccccc2C1 ZINC000299801284 210039583 /nfs/dbraw/zinc/03/95/83/210039583.db2.gz XXGGOBDDMLNSAG-IBGZPJMESA-N 1 0 353.462 3.510 50 0 FHAARO Fc1ccccc1OC1CN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000299785864 210028535 /nfs/dbraw/zinc/02/85/35/210028535.db2.gz SBAZFJQUMURECK-LJQANCHMSA-N 1 0 354.469 3.801 50 0 FHAARO Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(C)n1C ZINC000299779467 210023430 /nfs/dbraw/zinc/02/34/30/210023430.db2.gz RXDQUCUYXCFCTA-HXUWFJFHSA-N 1 0 357.473 3.738 50 0 FHAARO Cc1ccc(OCC[NH3+])c(C(=O)N(Cc2ccsc2)C2CCCC2)c1 ZINC000299766220 210015442 /nfs/dbraw/zinc/01/54/42/210015442.db2.gz DFOVXDZFAACIRK-UHFFFAOYSA-N 1 0 358.507 3.979 50 0 FHAARO Cc1nc(N2CCC[C@H]([NH2+]Cc3ccco3)CC2)nc2ccc(F)cc12 ZINC000299770495 210016638 /nfs/dbraw/zinc/01/66/38/210016638.db2.gz VZKHSAZXHLEWTD-INIZCTEOSA-N 1 0 354.429 3.819 50 0 FHAARO COc1cccc(-c2nc(C[N@H+](C)[C@@H](C)Cc3cnccn3)c(C)o2)c1 ZINC000299765993 210015182 /nfs/dbraw/zinc/01/51/82/210015182.db2.gz ZAXXPTLDSQDEHN-AWEZNQCLSA-N 1 0 352.438 3.512 50 0 FHAARO Cc1cc(C)n(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)n1 ZINC000299762539 210013645 /nfs/dbraw/zinc/01/36/45/210013645.db2.gz XASCQFDGMKVRRB-OTWHNJEPSA-N 1 0 363.465 3.624 50 0 FHAARO Cc1nc2ccc(C(=O)NCC3(c4ccccc4)CC[NH+](C)CC3)cc2o1 ZINC000299763667 210013671 /nfs/dbraw/zinc/01/36/71/210013671.db2.gz OWYSNSOARJJFEB-UHFFFAOYSA-N 1 0 363.461 3.530 50 0 FHAARO Cc1nc(Cl)ccc1NC(=O)N[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000299758501 210010967 /nfs/dbraw/zinc/01/09/67/210010967.db2.gz LUMUMWLWSZTHQW-HNNXBMFYSA-N 1 0 374.872 3.535 50 0 FHAARO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000299755211 210009596 /nfs/dbraw/zinc/00/95/96/210009596.db2.gz BHUKORVWULJCOL-GOSISDBHSA-N 1 0 358.413 3.619 50 0 FHAARO COc1cccc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)c1 ZINC000299755978 210009218 /nfs/dbraw/zinc/00/92/18/210009218.db2.gz FYVDYHYTQXUOIG-BDTNDASRSA-N 1 0 364.489 3.580 50 0 FHAARO O=C(Nc1cccc2c1CCCC2)N1CCC([NH+]2CCSCC2)CC1 ZINC000299755052 210006199 /nfs/dbraw/zinc/00/61/99/210006199.db2.gz APLXYQONHGOLCB-UHFFFAOYSA-N 1 0 359.539 3.611 50 0 FHAARO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Br)C1)N1CCCCC1 ZINC000001287672 219394088 /nfs/dbraw/zinc/39/40/88/219394088.db2.gz SHZMPDKQARDFJQ-INIZCTEOSA-N 1 0 365.315 3.674 50 0 FHAARO COc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000002623472 219452316 /nfs/dbraw/zinc/45/23/16/219452316.db2.gz IDPDNPYOGOIGKD-UHFFFAOYSA-N 1 0 355.507 3.646 50 0 FHAARO CC(=O)Nc1ccc(NC(=O)C2=CC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000064818042 212045388 /nfs/dbraw/zinc/04/53/88/212045388.db2.gz RIKLJDKWTJHXIE-UHFFFAOYSA-N 1 0 367.424 3.555 50 0 FHAARO C[C@H](NC(=O)C1=CC[N@H+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000064818064 212045135 /nfs/dbraw/zinc/04/51/35/212045135.db2.gz YARGZAVHGCOKDN-HNNXBMFYSA-N 1 0 356.416 3.974 50 0 FHAARO O=C(NCc1ccccc1F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064624152 212041613 /nfs/dbraw/zinc/04/16/13/212041613.db2.gz RQHDAULYGMSJEG-HNNXBMFYSA-N 1 0 361.486 3.599 50 0 FHAARO c1cn(CCC[N@H+](Cc2cccnc2)Cc2cnc3ccccc3c2)cn1 ZINC000063870085 212036135 /nfs/dbraw/zinc/03/61/35/212036135.db2.gz KTZRNEUOMSAKQM-UHFFFAOYSA-N 1 0 357.461 3.919 50 0 FHAARO C[C@@H](CC1(C)CC1)[NH+]1CCC(n2cc(CN3CCCCCC3)nn2)CC1 ZINC000063883512 212035654 /nfs/dbraw/zinc/03/56/54/212035654.db2.gz LXALMUNPVKTYML-SFHVURJKSA-N 1 0 359.562 3.870 50 0 FHAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCC(=O)N1CCCC1 ZINC000060815891 212023454 /nfs/dbraw/zinc/02/34/54/212023454.db2.gz ADSWIPUJBBVYAC-UHFFFAOYSA-N 1 0 360.498 3.509 50 0 FHAARO C[C@H](OCc1ccccc1)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000060275018 212020985 /nfs/dbraw/zinc/02/09/85/212020985.db2.gz WGTILHOOMYKTLU-FPOVZHCZSA-N 1 0 358.526 3.562 50 0 FHAARO Cc1ocnc1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000014951468 212017434 /nfs/dbraw/zinc/01/74/34/212017434.db2.gz DSTBQCSRRJTMCE-OAQYLSRUSA-N 1 0 359.514 3.882 50 0 FHAARO CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)o1 ZINC000012716950 220021053 /nfs/dbraw/zinc/02/10/53/220021053.db2.gz WFWOCYWNMZSVNF-QFIPXVFZSA-N 1 0 370.468 3.996 50 0 FHAARO O=C(Cc1c(F)cccc1F)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012718334 220021884 /nfs/dbraw/zinc/02/18/84/220021884.db2.gz RIVXRBVAXVIYIK-OAHLLOKOSA-N 1 0 350.453 3.811 50 0 FHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000058424718 212010678 /nfs/dbraw/zinc/01/06/78/212010678.db2.gz NJEPBOXJFPPUAQ-MGPQQGTHSA-N 1 0 374.909 3.505 50 0 FHAARO COC(=O)CC[N@H+](Cc1nc(-c2ccccc2Cl)no1)C1CCCC1 ZINC000058439196 212010514 /nfs/dbraw/zinc/01/05/14/212010514.db2.gz WEBDRDNKZASXQU-UHFFFAOYSA-N 1 0 363.845 3.698 50 0 FHAARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)C(F)(F)c1ccccc1 ZINC000058406593 212009905 /nfs/dbraw/zinc/00/99/05/212009905.db2.gz RNELXIDVLRKQSS-UHFFFAOYSA-N 1 0 350.453 3.939 50 0 FHAARO C[C@H](Oc1ccc(F)cc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000058406539 212009811 /nfs/dbraw/zinc/00/98/11/212009811.db2.gz GCETYUBJPHPJHF-INIZCTEOSA-N 1 0 362.489 3.754 50 0 FHAARO O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000058423466 212009401 /nfs/dbraw/zinc/00/94/01/212009401.db2.gz LHSJRDOYLDHFDF-YLJYHZDGSA-N 1 0 368.452 3.678 50 0 FHAARO Cc1nccc(-c2cccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)c2)n1 ZINC000058309941 212005160 /nfs/dbraw/zinc/00/51/60/212005160.db2.gz YFYRNRZOEIJVGU-LJQANCHMSA-N 1 0 365.481 3.544 50 0 FHAARO CC1(C)CC(NC(=O)N2CCC[C@H]2Cc2cccc(F)c2)CC(C)(C)[NH2+]1 ZINC000056780771 211965240 /nfs/dbraw/zinc/96/52/40/211965240.db2.gz JJXKMGOADLUITM-SFHVURJKSA-N 1 0 361.505 3.851 50 0 FHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cc(Cn3cncn3)c(C)cc2C)c1 ZINC000055099393 211935950 /nfs/dbraw/zinc/93/59/50/211935950.db2.gz JXDAOAGHECKAOS-LJQANCHMSA-N 1 0 363.509 3.710 50 0 FHAARO COc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000012984508 220050095 /nfs/dbraw/zinc/05/00/95/220050095.db2.gz ZRSSSISBNANAIM-IBGZPJMESA-N 1 0 357.429 3.793 50 0 FHAARO COc1ccc(CCC(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc1 ZINC000013011481 220054306 /nfs/dbraw/zinc/05/43/06/220054306.db2.gz SOTGZLQOEZQKTM-IBGZPJMESA-N 1 0 358.507 3.643 50 0 FHAARO CCOc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(OCC)c1 ZINC000013320378 220063629 /nfs/dbraw/zinc/06/36/29/220063629.db2.gz VPDZBXWKQVICDM-UHFFFAOYSA-N 1 0 360.498 3.575 50 0 FHAARO C[NH+](C)C1(CNC(=O)c2ccccc2Br)CCCCCC1 ZINC000014681138 220129871 /nfs/dbraw/zinc/12/98/71/220129871.db2.gz NSFBJVIDVWZZHW-UHFFFAOYSA-N 1 0 353.304 3.834 50 0 FHAARO CC(C)C[N@@H+]1CCO[C@H](CSc2ncnc3c4ccccc4oc32)C1 ZINC000023844361 211397280 /nfs/dbraw/zinc/39/72/80/211397280.db2.gz LAZYFSZXNNIGQK-AWEZNQCLSA-N 1 0 357.479 3.825 50 0 FHAARO C[N@H+](CCC[C@H]1CCCO1)Cc1ccccc1-c1nc(C2CC2)cc(=O)[nH]1 ZINC000023581577 211391132 /nfs/dbraw/zinc/39/11/32/211391132.db2.gz QQHGTSVBIGTFNP-SFHVURJKSA-N 1 0 367.493 3.705 50 0 FHAARO Cc1nccn1CCC1CCN(C(=O)c2ccc([C@H]3CCC[NH2+]3)s2)CC1 ZINC000023430468 211389989 /nfs/dbraw/zinc/38/99/89/211389989.db2.gz BODACRVRLCXCPF-QGZVFWFLSA-N 1 0 372.538 3.620 50 0 FHAARO CSc1cccc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000023373998 211386059 /nfs/dbraw/zinc/38/60/59/211386059.db2.gz IHPJKJXGTNOHJX-KRWDZBQOSA-N 1 0 362.564 3.539 50 0 FHAARO CCc1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3S2)[NH+](C)C)cc1 ZINC000022684707 211360340 /nfs/dbraw/zinc/36/03/40/211360340.db2.gz VKIVSIXNVWEPDR-AZUAARDMSA-N 1 0 354.519 3.685 50 0 FHAARO O[C@H](CN1CC[NH+](Cc2csc3ccccc23)CC1)c1ccccc1 ZINC000022927195 211371375 /nfs/dbraw/zinc/37/13/75/211371375.db2.gz KKCXXJGMANZULK-HXUWFJFHSA-N 1 0 352.503 3.753 50 0 FHAARO CCc1cccc2c(C[NH2+]C[C@@H](c3cccs3)N3CCOCC3)c[nH]c21 ZINC000022933692 211369768 /nfs/dbraw/zinc/36/97/68/211369768.db2.gz QKPVZMCWTWLCFT-IBGZPJMESA-N 1 0 369.534 3.955 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)CCn1ccc2ccccc21)c1cccc(F)c1 ZINC000022682761 211361500 /nfs/dbraw/zinc/36/15/00/211361500.db2.gz SEVMMMOAHYTMMR-HXUWFJFHSA-N 1 0 353.441 3.590 50 0 FHAARO COc1cc2c(cc1OC)[C@@H](COc1cccc(C(F)(F)F)c1)[NH2+]CC2 ZINC000022405259 211350569 /nfs/dbraw/zinc/35/05/69/211350569.db2.gz WMJQESNBADGPSL-MRXNPFEDSA-N 1 0 367.367 3.988 50 0 FHAARO C[NH+](C)C1(CNCC(=O)Nc2ccc(Cl)cc2Cl)CCCCC1 ZINC000022038366 211335206 /nfs/dbraw/zinc/33/52/06/211335206.db2.gz ZJLWJYXYTXXSMI-UHFFFAOYSA-N 1 0 358.313 3.786 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934570 211333021 /nfs/dbraw/zinc/33/30/21/211333021.db2.gz HKWNLDKFLVWWNG-KRWDZBQOSA-N 1 0 374.488 3.901 50 0 FHAARO O=C(CCn1ccc2ccccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000021962617 211332804 /nfs/dbraw/zinc/33/28/04/211332804.db2.gz UEHZOOVJYFGAJO-UHFFFAOYSA-N 1 0 361.489 3.944 50 0 FHAARO COc1cccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCC(C)CC2)c1 ZINC000021659759 211318245 /nfs/dbraw/zinc/31/82/45/211318245.db2.gz QEXLXXFQISXFDJ-LJQANCHMSA-N 1 0 356.466 3.800 50 0 FHAARO Cc1ccc([C@@](O)(C(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020868579 211297001 /nfs/dbraw/zinc/29/70/01/211297001.db2.gz HAMNPWOBGUCPBK-PKTZIBPZSA-N 1 0 353.506 3.955 50 0 FHAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](C4CCN(C)CC4)C3)ccc2c1 ZINC000020542497 211284829 /nfs/dbraw/zinc/28/48/29/211284829.db2.gz JZQWKURKZYIBFG-HXUWFJFHSA-N 1 0 366.505 3.837 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@H](c1cc(OC)ccc1OC)[NH2+]CC2 ZINC000020506884 211283186 /nfs/dbraw/zinc/28/31/86/211283186.db2.gz DWNCSOWIELPVLP-OAQYLSRUSA-N 1 0 357.450 3.736 50 0 FHAARO CN(Cc1nc2ccccc2n1C)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019720360 211251357 /nfs/dbraw/zinc/25/13/57/211251357.db2.gz OXWUEMRCYJYELF-HXUWFJFHSA-N 1 0 362.521 3.712 50 0 FHAARO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000019889563 211259357 /nfs/dbraw/zinc/25/93/57/211259357.db2.gz SLMWKNYKHBTVTM-UUJYFKEHSA-N 1 0 352.478 3.513 50 0 FHAARO CC1CCC([NH+]2CCN(C(=O)COc3ccc4ccccc4c3)CC2)CC1 ZINC000019787516 211255014 /nfs/dbraw/zinc/25/50/14/211255014.db2.gz KOJUPJQKJDOHGY-UHFFFAOYSA-N 1 0 366.505 3.942 50 0 FHAARO CN(Cc1ccco1)C(=O)c1ccc([C@@H]2CCC[N@@H+]2C2CCOCC2)s1 ZINC000019595512 211241062 /nfs/dbraw/zinc/24/10/62/211241062.db2.gz FUBMMMZIRBGMBQ-KRWDZBQOSA-N 1 0 374.506 3.929 50 0 FHAARO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1cccc2cnccc21 ZINC000019338830 211215867 /nfs/dbraw/zinc/21/58/67/211215867.db2.gz YOAUANHKRUBNJX-UHFFFAOYSA-N 1 0 372.428 3.986 50 0 FHAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000018325182 211196961 /nfs/dbraw/zinc/19/69/61/211196961.db2.gz OKUKSUSIOFHIKJ-GOSISDBHSA-N 1 0 372.852 3.551 50 0 FHAARO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2n1 ZINC000017362957 211184957 /nfs/dbraw/zinc/18/49/57/211184957.db2.gz YWOWRYYSDUZXJZ-UHFFFAOYSA-N 1 0 359.473 3.938 50 0 FHAARO COc1ccc([N+]2=C3CCCCN3C[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000017146526 211180584 /nfs/dbraw/zinc/18/05/84/211180584.db2.gz WMFVEZIJXAELKF-FQEVSTJZSA-N 1 0 357.861 3.609 50 0 FHAARO Cc1cc(C)c([C@H](C)NC(=O)C[NH2+]CCOc2ccccc2F)cc1C ZINC000016695490 211166440 /nfs/dbraw/zinc/16/64/40/211166440.db2.gz LXXVMOBCOLCWSO-KRWDZBQOSA-N 1 0 358.457 3.597 50 0 FHAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1C ZINC000015860042 211147907 /nfs/dbraw/zinc/14/79/07/211147907.db2.gz QTARATLWHMLJBN-IBGZPJMESA-N 1 0 356.466 3.619 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(C)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860292 211147173 /nfs/dbraw/zinc/14/71/73/211147173.db2.gz MUPMOJQNWLHFEJ-HXUWFJFHSA-N 1 0 370.493 3.865 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)[NH+]2CCCC2)o1 ZINC000015860242 211147008 /nfs/dbraw/zinc/14/70/08/211147008.db2.gz RKZTYTZACDYRHG-INIZCTEOSA-N 1 0 362.857 3.574 50 0 FHAARO CC(C)c1ccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000015831664 211144102 /nfs/dbraw/zinc/14/41/02/211144102.db2.gz ZLBSBTAMUIWPSD-LJQANCHMSA-N 1 0 356.466 3.735 50 0 FHAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[N@@H+]3CCCC[C@H]3C)c21 ZINC000015727458 211139262 /nfs/dbraw/zinc/13/92/62/211139262.db2.gz CZKMMOBJTCKNRP-CYBMUJFWSA-N 1 0 374.485 3.693 50 0 FHAARO COc1cccc(NC(=O)CCC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000015063244 211116070 /nfs/dbraw/zinc/11/60/70/211116070.db2.gz JLSRBGUIOLSXAP-UHFFFAOYSA-N 1 0 353.466 3.721 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000015080132 211121642 /nfs/dbraw/zinc/12/16/42/211121642.db2.gz FTJUAWGBYHUOIJ-UHFFFAOYSA-N 1 0 369.440 3.629 50 0 FHAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1)Nc1ccccc1F ZINC000015075582 211119282 /nfs/dbraw/zinc/11/92/82/211119282.db2.gz KBTWQXIBHAMNKB-OAHLLOKOSA-N 1 0 360.429 3.542 50 0 FHAARO COc1cc(C[N@@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)cc(OC)c1O ZINC000015074844 211119148 /nfs/dbraw/zinc/11/91/48/211119148.db2.gz QUKKPORRYITWGA-QGZVFWFLSA-N 1 0 360.429 3.625 50 0 FHAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(F)c2)N1CCCc1ccccc1 ZINC000014992412 211113906 /nfs/dbraw/zinc/11/39/06/211113906.db2.gz HFVWAPQHWZTIQR-OAQYLSRUSA-N 1 0 354.469 3.929 50 0 FHAARO OCCC[NH2+]Cc1cc2ccc(Cl)cc2nc1OCCc1ccccc1 ZINC000014989192 211111385 /nfs/dbraw/zinc/11/13/85/211111385.db2.gz FAYPPKUSPWUSAI-UHFFFAOYSA-N 1 0 370.880 3.982 50 0 FHAARO CSc1nc(C(=O)N2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)cs1 ZINC000014977291 211110443 /nfs/dbraw/zinc/11/04/43/211110443.db2.gz MGHVMFROTQQPSM-OAHLLOKOSA-N 1 0 367.584 3.695 50 0 FHAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+]([C@H](C)COC)CC1 ZINC000014980312 211110552 /nfs/dbraw/zinc/11/05/52/211110552.db2.gz WFZXUEOFSCOJIH-OAHLLOKOSA-N 1 0 353.890 3.563 50 0 FHAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(F)c(Cl)c1 ZINC000014971815 211109499 /nfs/dbraw/zinc/10/94/99/211109499.db2.gz IPENMGKZVIHIBW-KRWDZBQOSA-N 1 0 360.860 3.916 50 0 FHAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]CCC1=CCCCC1)C2 ZINC000014742324 211100715 /nfs/dbraw/zinc/10/07/15/211100715.db2.gz HFPGWJUWDHZAOX-GOSISDBHSA-N 1 0 372.557 3.578 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000014226239 211087733 /nfs/dbraw/zinc/08/77/33/211087733.db2.gz ZMUXQFHYJODAIZ-INIZCTEOSA-N 1 0 357.523 3.733 50 0 FHAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)C)cc1 ZINC000014241353 211087295 /nfs/dbraw/zinc/08/72/95/211087295.db2.gz NXNIPUOTEGTMPV-CQSZACIVSA-N 1 0 369.465 3.663 50 0 FHAARO COc1cc(OC)cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000014188459 211083764 /nfs/dbraw/zinc/08/37/64/211083764.db2.gz UHOYXONRXZXKOV-UHFFFAOYSA-N 1 0 368.477 3.620 50 0 FHAARO O=C(Nc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1)c1cccs1 ZINC000014181495 211082544 /nfs/dbraw/zinc/08/25/44/211082544.db2.gz NTAREGXPQMLDMB-UHFFFAOYSA-N 1 0 371.506 3.606 50 0 FHAARO C[C@@H]1Oc2c(cccc2C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000014183364 211081585 /nfs/dbraw/zinc/08/15/85/211081585.db2.gz DOEWPCLDVJVGFT-SOLBZPMBSA-N 1 0 350.462 3.575 50 0 FHAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH2+]C(C)(C)C)cc1 ZINC000014241354 211086761 /nfs/dbraw/zinc/08/67/61/211086761.db2.gz NXNIPUOTEGTMPV-AWEZNQCLSA-N 1 0 369.465 3.663 50 0 FHAARO COc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(C)cc2)cc1 ZINC000013756318 211058316 /nfs/dbraw/zinc/05/83/16/211058316.db2.gz NIZLXWLHFHSLKE-QFIPXVFZSA-N 1 0 351.470 3.654 50 0 FHAARO CCCCOCCC[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000013719887 211052282 /nfs/dbraw/zinc/05/22/82/211052282.db2.gz FZOQZSDTTHPPQK-UHFFFAOYSA-N 1 0 360.292 3.763 50 0 FHAARO c1ccc(C[NH2+]Cc2cccc(Oc3nnnn3-c3ccccc3)c2)cc1 ZINC000013717620 211052026 /nfs/dbraw/zinc/05/20/26/211052026.db2.gz JUDNMZRAMOHVEC-UHFFFAOYSA-N 1 0 357.417 3.744 50 0 FHAARO c1ccc(CC[NH2+]Cc2cccc(Oc3nnnn3-c3ccccc3)c2)cc1 ZINC000013717632 211051360 /nfs/dbraw/zinc/05/13/60/211051360.db2.gz KVFJUYNGQCAMHH-UHFFFAOYSA-N 1 0 371.444 3.787 50 0 FHAARO COCc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(C)o3)C2)o1 ZINC000013594272 211042878 /nfs/dbraw/zinc/04/28/78/211042878.db2.gz GOJTWSLPNKAQJZ-KRWDZBQOSA-N 1 0 374.481 3.636 50 0 FHAARO Cc1cccc(O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000013331816 211030080 /nfs/dbraw/zinc/03/00/80/211030080.db2.gz YBKTUHWOCRDHEJ-SFHVURJKSA-N 1 0 352.478 3.543 50 0 FHAARO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000013040721 211021725 /nfs/dbraw/zinc/02/17/25/211021725.db2.gz RUTMFBQOPYGXLM-CQSZACIVSA-N 1 0 369.856 3.518 50 0 FHAARO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000013003982 211019205 /nfs/dbraw/zinc/01/92/05/211019205.db2.gz JITBUOKWNKIJBB-KRWDZBQOSA-N 1 0 369.490 3.673 50 0 FHAARO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(C)c1)[NH+]1CCCC1 ZINC000012921412 211008601 /nfs/dbraw/zinc/00/86/01/211008601.db2.gz NRLKWEBFZBEWAB-LJQANCHMSA-N 1 0 353.466 3.962 50 0 FHAARO C[NH+](C)C1(CNC(=O)/C=C/c2cnn(-c3ccccc3)c2)CCCCCC1 ZINC000012951329 211012434 /nfs/dbraw/zinc/01/24/34/211012434.db2.gz FVUMFYVNWFVRNB-OUKQBFOZSA-N 1 0 366.509 3.656 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000012382475 210949830 /nfs/dbraw/zinc/94/98/30/210949830.db2.gz YPWAHWMEZXCADV-GFCCVEGCSA-N 1 0 359.297 3.750 50 0 FHAARO C[C@@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012380634 210948849 /nfs/dbraw/zinc/94/88/49/210948849.db2.gz PABQYRJAJJMUAK-MRXNPFEDSA-N 1 0 372.896 3.888 50 0 FHAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2[C@H](C)c2csc(C)n2)c1 ZINC000012209436 210929483 /nfs/dbraw/zinc/92/94/83/210929483.db2.gz NZVKWVLNDOFORS-RHSMWYFYSA-N 1 0 373.522 3.692 50 0 FHAARO c1cnn(-c2cccc(C[NH2+][C@@H]3CCCc4c3cnn4-c3ccccn3)c2)c1 ZINC000011938597 210904106 /nfs/dbraw/zinc/90/41/06/210904106.db2.gz QZAWOIBRONAXJG-HXUWFJFHSA-N 1 0 370.460 3.620 50 0 FHAARO Cc1[nH]c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2c1C ZINC000009515641 210840514 /nfs/dbraw/zinc/84/05/14/210840514.db2.gz URFYXNKYMQJHFU-IBGZPJMESA-N 1 0 351.450 3.945 50 0 FHAARO C[NH+](C)CCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000009363972 210829178 /nfs/dbraw/zinc/82/91/78/210829178.db2.gz OCXXVWDVFYJQDL-UHFFFAOYSA-N 1 0 353.853 3.847 50 0 FHAARO Cc1nc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2nc1C ZINC000008040264 210766798 /nfs/dbraw/zinc/76/67/98/210766798.db2.gz YMRQLIJWRJHZCT-UHFFFAOYSA-N 1 0 374.488 3.772 50 0 FHAARO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000007447613 210740520 /nfs/dbraw/zinc/74/05/20/210740520.db2.gz AEMZZVVLYMOLKF-UHFFFAOYSA-N 1 0 368.477 3.620 50 0 FHAARO CSc1nc2c3c(sc2c(NCCC[NH+](C)C)n1)CC(C)(C)OC3 ZINC000006662059 210687001 /nfs/dbraw/zinc/68/70/01/210687001.db2.gz UUHVCBXEPNZLKY-UHFFFAOYSA-N 1 0 366.556 3.628 50 0 FHAARO COc1ccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2ccco2)cc1 ZINC000004193635 210515870 /nfs/dbraw/zinc/51/58/70/210515870.db2.gz PMEFBPRNPLXXBX-UHFFFAOYSA-N 1 0 373.522 3.973 50 0 FHAARO CCC[C@@H]1CO[C@@](C[n+]2cn(CC)cn2)(c2ccc(Cl)cc2Cl)O1 ZINC000000896418 210287999 /nfs/dbraw/zinc/28/79/99/210287999.db2.gz ZMIUUEUCMUEWIG-RHSMWYFYSA-N 1 0 371.288 3.566 50 0 FHAARO COc1ccc(C[NH2+]Cc2cc(Br)cs2)c(OC)c1OC ZINC000048716638 221014983 /nfs/dbraw/zinc/01/49/83/221014983.db2.gz SRZNFEIJPBVHNW-UHFFFAOYSA-N 1 0 372.284 3.826 50 0 FHAARO CC[C@H](C)NC(=O)c1c(C)n(C2CC[NH+](C(C)C)CC2)nc1C(F)(F)F ZINC000049362764 221022259 /nfs/dbraw/zinc/02/22/59/221022259.db2.gz VXFBWRAHESQTKK-LBPRGKRZSA-N 1 0 374.451 3.784 50 0 FHAARO CCOC(=O)N1CCC([NH2+][C@@H](c2ccncc2)c2ccc(C)cc2)CC1 ZINC000065370112 221204753 /nfs/dbraw/zinc/20/47/53/221204753.db2.gz NXOXSEWUQCUHEL-HXUWFJFHSA-N 1 0 353.466 3.690 50 0 FHAARO COc1ncc(-c2c(-c3ccccc3)ncn2CC[NH+]2CCCCC2)cn1 ZINC000065373152 221205127 /nfs/dbraw/zinc/20/51/27/221205127.db2.gz BMFWEOWWJUZUFJ-UHFFFAOYSA-N 1 0 363.465 3.502 50 0 FHAARO C[C@H](c1cccc(-c2ccc(CN3CCOCC3)cn2)c1)[NH+]1CCCC1 ZINC000065386725 221208404 /nfs/dbraw/zinc/20/84/04/221208404.db2.gz OIAFEQUVAXVFJF-GOSISDBHSA-N 1 0 351.494 3.738 50 0 FHAARO O=C(Nc1cc(F)cc(F)c1)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255117 221188505 /nfs/dbraw/zinc/18/85/05/221188505.db2.gz RPVNNPZZKYLDMH-UHFFFAOYSA-N 1 0 370.403 3.663 50 0 FHAARO CCCc1nc(C)c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)s1 ZINC000065490761 221225892 /nfs/dbraw/zinc/22/58/92/221225892.db2.gz XYSLZLRHNAOSOJ-UHFFFAOYSA-N 1 0 357.523 3.798 50 0 FHAARO COc1ccc2c(C)nc(N3CCC(CC[NH+]4CCCC4)CC3)nc2c1 ZINC000067446629 221254779 /nfs/dbraw/zinc/25/47/79/221254779.db2.gz GJAXIJUMIHFXPD-UHFFFAOYSA-N 1 0 354.498 3.649 50 0 FHAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CC3CCCCC3)C2=O)cc1 ZINC000067713788 221275116 /nfs/dbraw/zinc/27/51/16/221275116.db2.gz ASZUZHHKKCMKAR-QHCPKHFHSA-N 1 0 372.553 3.833 50 0 FHAARO CCc1c[nH]nc1C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000067713688 221275283 /nfs/dbraw/zinc/27/52/83/221275283.db2.gz RYVNLSKNVJABPC-UHFFFAOYSA-N 1 0 353.445 3.881 50 0 FHAARO [NH3+]C[C@@H]1Cc2cccc(-c3ccc(C(=O)Nc4ccccc4F)o3)c2O1 ZINC000067724909 221278334 /nfs/dbraw/zinc/27/83/34/221278334.db2.gz ZJPXOXKHNOGJGO-ZDUSSCGKSA-N 1 0 352.365 3.600 50 0 FHAARO CC1(C)C[C@@H](C[N@@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)CCO1 ZINC000067805881 221288149 /nfs/dbraw/zinc/28/81/49/221288149.db2.gz QNPHCYDXQSALLT-INIZCTEOSA-N 1 0 368.477 3.854 50 0 FHAARO CC[N@@H+](Cc1cccc(C(=O)Nc2c(C)noc2C)c1)C[C@@H]1CCCO1 ZINC000067757477 221281549 /nfs/dbraw/zinc/28/15/49/221281549.db2.gz FDMAVCCVYRBVRZ-SFHVURJKSA-N 1 0 357.454 3.545 50 0 FHAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3c(-c4ccccc4)nc4ncccn34)C2)n1 ZINC000067771798 221282669 /nfs/dbraw/zinc/28/26/69/221282669.db2.gz POQKUBZWLBFZCI-LJQANCHMSA-N 1 0 372.476 3.657 50 0 FHAARO COc1ccc(-c2nc(C[NH+]3CCC([C@H](C)O)CC3)c(C)o2)c(OC)c1C ZINC000067803310 221286623 /nfs/dbraw/zinc/28/66/23/221286623.db2.gz ZQKOTKYGIPGWSW-AWEZNQCLSA-N 1 0 374.481 3.568 50 0 FHAARO O=C(Nc1nc2ccccc2s1)c1cccc(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000067834176 221292222 /nfs/dbraw/zinc/29/22/22/221292222.db2.gz CLMMDJWWLUGHOV-MRXNPFEDSA-N 1 0 367.474 3.505 50 0 FHAARO CSc1ccc2cc(C[N@@H+]3CCC[C@H]3c3ccccn3)c(=O)[nH]c2c1 ZINC000067880031 221299756 /nfs/dbraw/zinc/29/97/56/221299756.db2.gz GKZNHJVNQCNWSY-IBGZPJMESA-N 1 0 351.475 3.982 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCN(C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067885747 221300703 /nfs/dbraw/zinc/30/07/03/221300703.db2.gz LHXXLOGOZUNZDL-GOSISDBHSA-N 1 0 363.509 3.703 50 0 FHAARO Cc1nn(-c2ccccc2)c(N)c1-c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000067981829 221311992 /nfs/dbraw/zinc/31/19/92/221311992.db2.gz YNPDSNNDOPZSRZ-KRWDZBQOSA-N 1 0 362.477 3.823 50 0 FHAARO FC(F)(F)c1cccc2c(N3CC[NH+](C4CCOCC4)CC3)ccnc21 ZINC000067954433 221308131 /nfs/dbraw/zinc/30/81/31/221308131.db2.gz MRNDJHGNFLVILT-UHFFFAOYSA-N 1 0 365.399 3.555 50 0 FHAARO CCCS(=O)(=O)NC1CC[NH+]([C@H](C)c2ccc3ccccc3c2)CC1 ZINC000069619437 221326854 /nfs/dbraw/zinc/32/68/54/221326854.db2.gz KFELUJACWIDUKD-MRXNPFEDSA-N 1 0 360.523 3.695 50 0 FHAARO CC(C)CNc1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000071286687 221340465 /nfs/dbraw/zinc/34/04/65/221340465.db2.gz SOQKPVPMLMSNSO-UHFFFAOYSA-N 1 0 372.538 3.605 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)CCC[N@@H+]1CC1CC1 ZINC000071419075 221348196 /nfs/dbraw/zinc/34/81/96/221348196.db2.gz QYYRGUPDQUICIX-FQEVSTJZSA-N 1 0 366.509 3.659 50 0 FHAARO CCCn1ncc(C[N@@H+]2CCC(=O)N(Cc3ccccc3)[C@@H](CC)C2)c1C ZINC000071589465 221352703 /nfs/dbraw/zinc/35/27/03/221352703.db2.gz LXSSRRMWTXFNKF-NRFANRHFSA-N 1 0 368.525 3.615 50 0 FHAARO Cc1nccn1CC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071745345 221357743 /nfs/dbraw/zinc/35/77/43/221357743.db2.gz WKLOKGGELGBBDD-NRFANRHFSA-N 1 0 358.505 3.563 50 0 FHAARO CNC(=O)CC[N@@H+]1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000071762678 221369948 /nfs/dbraw/zinc/36/99/48/221369948.db2.gz VVOVTDDSWYUVOG-GOSISDBHSA-N 1 0 366.461 3.510 50 0 FHAARO COc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c(F)c1F ZINC000071764079 221371773 /nfs/dbraw/zinc/37/17/73/221371773.db2.gz FKJWPKURYLIXTQ-INIZCTEOSA-N 1 0 366.452 3.556 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(C)(C)O)C3)c(C)o2)c(F)c1 ZINC000071771225 221373489 /nfs/dbraw/zinc/37/34/89/221373489.db2.gz UAGACFJEKNZTMJ-AWEZNQCLSA-N 1 0 362.445 3.781 50 0 FHAARO Cc1cccc(CN2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2cccc(C)n2)n1 ZINC000071772090 221374179 /nfs/dbraw/zinc/37/41/79/221374179.db2.gz SXBLLUAXFAKRPB-FGZHOGPDSA-N 1 0 350.510 3.722 50 0 FHAARO O=C(CCc1nc2ccccc2s1)N[C@H]1CC[C@H]1[NH2+]C1CCCCC1 ZINC000072161325 221437237 /nfs/dbraw/zinc/43/72/37/221437237.db2.gz PDFFVLZRTGGWMO-CVEARBPZSA-N 1 0 357.523 3.798 50 0 FHAARO O=C1N(Cc2cc(Cl)ccc2F)c2ccccc2NC12CC[NH2+]CC2 ZINC000082092364 132194289 /nfs/dbraw/zinc/19/42/89/132194289.db2.gz LFMLXNGMBJNZJH-UHFFFAOYSA-N 1 0 359.832 3.560 50 0 FHAARO OCc1cc2ccccc2nc1N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000095374141 132208905 /nfs/dbraw/zinc/20/89/05/132208905.db2.gz WTWKWCDUQFVSOY-UHFFFAOYSA-N 1 0 373.500 3.754 50 0 FHAARO Cc1cc(N2CCC([N@@H+]3CCOC4(CCCC4)C3)CC2)nc(C(C)C)n1 ZINC000095511061 132213207 /nfs/dbraw/zinc/21/32/07/132213207.db2.gz AHQBWDUXTSGILE-UHFFFAOYSA-N 1 0 358.530 3.522 50 0 FHAARO CCCc1nc(C)cc(N2CCC([NH2+]CCc3nc(CC)cs3)CC2)n1 ZINC000095512441 132213302 /nfs/dbraw/zinc/21/33/02/132213302.db2.gz CSMZOTUUKDFDGV-UHFFFAOYSA-N 1 0 373.570 3.558 50 0 FHAARO O=C(NC[C@H]1CCCN(c2cc[nH+]cc2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000096148820 132220757 /nfs/dbraw/zinc/22/07/57/132220757.db2.gz OGGZVQLLHIDYDG-MRXNPFEDSA-N 1 0 369.896 3.799 50 0 FHAARO Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)cc1C ZINC000002233639 132382748 /nfs/dbraw/zinc/38/27/48/132382748.db2.gz VENBSJXQUHHANK-UHFFFAOYSA-N 1 0 355.457 3.593 50 0 FHAARO CC(=O)Nc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000004320819 132386796 /nfs/dbraw/zinc/38/67/96/132386796.db2.gz SAAOJLFZVIRBTH-UHFFFAOYSA-N 1 0 360.461 3.515 50 0 FHAARO O[C@@H](C[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccc2cc[nH]c2c1 ZINC000033313914 132932021 /nfs/dbraw/zinc/93/20/21/132932021.db2.gz LHAROUHNJLVULR-FQEVSTJZSA-N 1 0 355.869 3.677 50 0 FHAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCC(C)C)C2)CC1 ZINC000055245130 136126243 /nfs/dbraw/zinc/12/62/43/136126243.db2.gz HOTOVJAQXFJPPX-HXUWFJFHSA-N 1 0 357.542 3.544 50 0 FHAARO Cc1ccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000057050784 136128093 /nfs/dbraw/zinc/12/80/93/136128093.db2.gz VCOWTYMXDKKCRD-UHFFFAOYSA-N 1 0 357.461 3.742 50 0 FHAARO O[C@H]1CCC[N@@H+](C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)C1 ZINC000063855447 136133017 /nfs/dbraw/zinc/13/30/17/136133017.db2.gz ZCIGLGHKSMUABA-QFIPXVFZSA-N 1 0 354.469 3.918 50 0 FHAARO COc1cc(C[N@@H+]2CCCC23CCN(c2ccccn2)CC3)cc(OC)c1 ZINC000072412484 136145661 /nfs/dbraw/zinc/14/56/61/136145661.db2.gz ATMNXTXDDIUXAI-UHFFFAOYSA-N 1 0 367.493 3.734 50 0 FHAARO CC1=CC(C)(C)N(C(=O)C[NH+]2CCC(C)CC2)c2cc3c(cc21)OCCO3 ZINC000334161270 136151624 /nfs/dbraw/zinc/15/16/24/136151624.db2.gz XTQWNUZQAQCMPW-UHFFFAOYSA-N 1 0 370.493 3.718 50 0 FHAARO Cc1cccnc1C[N@@H+](C)C1CCN(c2cccc(-n3cccn3)c2)CC1 ZINC000023582037 136153117 /nfs/dbraw/zinc/15/31/17/136153117.db2.gz AGIZZWXIRDVZBZ-UHFFFAOYSA-N 1 0 361.493 3.677 50 0 FHAARO Cn1cc([C@H](CNC(=O)Nc2c(F)cccc2F)[NH+](C)C)c2ccccc21 ZINC000096096351 222021045 /nfs/dbraw/zinc/02/10/45/222021045.db2.gz LJIGPZPDGSWNSV-SFHVURJKSA-N 1 0 372.419 3.881 50 0 FHAARO Fc1ccc([C@H](CNc2nccc(-c3ccccn3)n2)[NH+]2CCCC2)cc1 ZINC000096141524 222045276 /nfs/dbraw/zinc/04/52/76/222045276.db2.gz MWMMYRSEGDPRSH-FQEVSTJZSA-N 1 0 363.440 3.927 50 0 FHAARO Cc1c(Cl)ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](CO)C2)c1Cl ZINC000096141899 222045536 /nfs/dbraw/zinc/04/55/36/222045536.db2.gz HPAVIFJXIJZHDQ-ZDUSSCGKSA-N 1 0 374.312 3.518 50 0 FHAARO CN(CCC[NH+]1CCCCCC1)C(=O)Nc1ccnn1Cc1ccccc1 ZINC000096141658 222046440 /nfs/dbraw/zinc/04/64/40/222046440.db2.gz LZHYPWJOTGBFOR-UHFFFAOYSA-N 1 0 369.513 3.661 50 0 FHAARO CNc1nc(-c2nc(CC3CC[NH+](C)CC3)nn2C2CCCCC2)cs1 ZINC000096148121 222050280 /nfs/dbraw/zinc/05/02/80/222050280.db2.gz XWLJULIYUBGIMG-UHFFFAOYSA-N 1 0 374.558 3.833 50 0 FHAARO Cc1ccccc1-c1cccc(NC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000096153705 222055034 /nfs/dbraw/zinc/05/50/34/222055034.db2.gz LGJCEYPQIPJFOS-JOCHJYFZSA-N 1 0 367.493 3.582 50 0 FHAARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1ccc(Cl)cn1)CC2 ZINC000096162072 222060903 /nfs/dbraw/zinc/06/09/03/222060903.db2.gz ZTWDCKLQZYHHCD-QGZVFWFLSA-N 1 0 369.896 3.829 50 0 FHAARO CCSc1ccc(NC(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000096180117 222067547 /nfs/dbraw/zinc/06/75/47/222067547.db2.gz YTTIOJZDNKFAMH-UHFFFAOYSA-N 1 0 370.522 3.980 50 0 FHAARO Cc1cc(CN2CCc3nc[nH]c3C2)c(C)c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000097137600 222162989 /nfs/dbraw/zinc/16/29/89/222162989.db2.gz HWKFXASQIQMSSC-INIZCTEOSA-N 1 0 352.526 3.817 50 0 FHAARO C[C@H]1C[C@@H](Nc2ccc(-c3ncn(C)n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000097371268 222177918 /nfs/dbraw/zinc/17/79/18/222177918.db2.gz TXSSJMGUOVZIRN-UWJYYQICSA-N 1 0 361.493 3.947 50 0 FHAARO OC1(Cn2ccnc2)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000097393970 222178994 /nfs/dbraw/zinc/17/89/94/222178994.db2.gz BSOLSUJUDHJVBX-UHFFFAOYSA-N 1 0 361.489 3.542 50 0 FHAARO Cc1cncnc1C1CC[NH+](C[C@@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000097463721 222181513 /nfs/dbraw/zinc/18/15/13/222181513.db2.gz YEWCZYDYTSFOPR-HNNXBMFYSA-N 1 0 353.466 3.572 50 0 FHAARO Cc1ccccc1-c1ccc(C[NH+]2CCC(O)(Cn3ccnc3)CC2)cc1 ZINC000097594744 222195412 /nfs/dbraw/zinc/19/54/12/222195412.db2.gz WESHMJIEHLQMDK-UHFFFAOYSA-N 1 0 361.489 3.886 50 0 FHAARO Cc1c(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000097681821 222205955 /nfs/dbraw/zinc/20/59/55/222205955.db2.gz HNIHUBVYMVZHBT-FQEVSTJZSA-N 1 0 351.425 3.571 50 0 FHAARO O=C1CCC2(CC[NH+](Cc3ccc(C(F)(F)F)cc3F)CC2)CCN1 ZINC000097759206 222210808 /nfs/dbraw/zinc/21/08/08/222210808.db2.gz XEQSKLMTADZUGM-UHFFFAOYSA-N 1 0 358.379 3.727 50 0 FHAARO Cc1cccc2[nH]c(CC[N@@H+](C)Cc3cnc(N4CCCC4)s3)nc21 ZINC000097772677 222211171 /nfs/dbraw/zinc/21/11/71/222211171.db2.gz WHGRVAGROLPCIA-UHFFFAOYSA-N 1 0 355.511 3.603 50 0 FHAARO Cc1ccc(-c2ccc(C(=O)N3CCC([NH+]4CCSCC4)CC3)cc2)o1 ZINC000097813883 222215155 /nfs/dbraw/zinc/21/51/55/222215155.db2.gz DSAWRRCPKJPOJF-UHFFFAOYSA-N 1 0 370.518 3.908 50 0 FHAARO COc1cccc(C[N@@H+]2CCC[C@H](O)CC2)c1OCc1cccc(F)c1 ZINC000097551242 222191629 /nfs/dbraw/zinc/19/16/29/222191629.db2.gz YCZDBNUVEXMQNW-IBGZPJMESA-N 1 0 359.441 3.760 50 0 FHAARO CC(C)N1CC[N@H+](Cc2cccc3c4ccccc4oc32)C[C@H]1CCO ZINC000104301869 222356348 /nfs/dbraw/zinc/35/63/48/222356348.db2.gz IFRFVOYIUCUUKO-GOSISDBHSA-N 1 0 352.478 3.863 50 0 FHAARO CSc1cccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)c1 ZINC000104424182 222357933 /nfs/dbraw/zinc/35/79/33/222357933.db2.gz YYNJKBKNUIFMJM-OAQYLSRUSA-N 1 0 370.562 3.786 50 0 FHAARO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000426383183 263571269 /nfs/dbraw/zinc/57/12/69/263571269.db2.gz WZRUJTKESRVACQ-NRFANRHFSA-N 1 0 371.484 3.873 50 0 FHAARO [NH3+]CCOc1ccc(F)cc1C(=O)N(Cc1ccccc1)C1CCCC1 ZINC000426628336 263647107 /nfs/dbraw/zinc/64/71/07/263647107.db2.gz UDZZMABKZNSEMC-UHFFFAOYSA-N 1 0 356.441 3.748 50 0 FHAARO CCCOc1c(Br)cc(C[NH2+]CCCOC)cc1OCC ZINC000020932625 520290309 /nfs/dbraw/zinc/29/03/09/520290309.db2.gz YVYNHTJBRQQDOV-UHFFFAOYSA-N 1 0 360.292 3.763 50 0 FHAARO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCO2)cc1OC ZINC000020932790 520290855 /nfs/dbraw/zinc/29/08/55/520290855.db2.gz NGIHAGFDFAXZIY-ZDUSSCGKSA-N 1 0 358.276 3.515 50 0 FHAARO CCCN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000269188390 521443842 /nfs/dbraw/zinc/44/38/42/521443842.db2.gz VGXVTMYRDOGUCR-HNNXBMFYSA-N 1 0 359.857 3.741 50 0 FHAARO CCCc1ncc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000020235963 521555510 /nfs/dbraw/zinc/55/55/10/521555510.db2.gz UIKLLLVSCYQRHH-LJQANCHMSA-N 1 0 356.489 3.665 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000020865403 521637641 /nfs/dbraw/zinc/63/76/41/521637641.db2.gz IKVPIUPOEQLQHH-MRXNPFEDSA-N 1 0 372.538 3.501 50 0 FHAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1c[nH]nc1C1CCCCC1 ZINC000091621495 521750901 /nfs/dbraw/zinc/75/09/01/521750901.db2.gz XTOXGOWCIWUKSW-UHFFFAOYSA-N 1 0 354.498 3.661 50 0 FHAARO CC[C@H](Oc1cccc2ccccc21)C(=O)NCCC1CC[NH+](C)CC1 ZINC000078578815 522885629 /nfs/dbraw/zinc/88/56/29/522885629.db2.gz FCGPJSJPXFZKNY-FQEVSTJZSA-N 1 0 354.494 3.845 50 0 FHAARO CC[C@@H](O)C[NH2+]Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000020167938 523005549 /nfs/dbraw/zinc/00/55/49/523005549.db2.gz XTSAFSDGSIELOM-QGZVFWFLSA-N 1 0 371.431 3.986 50 0 FHAARO COCc1ccccc1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000241231083 523114642 /nfs/dbraw/zinc/11/46/42/523114642.db2.gz KRUPRHSWUHGQLY-ZWKOTPCHSA-N 1 0 367.493 3.960 50 0 FHAARO CN(Cc1cccc(-n2cccn2)c1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000082121983 523288891 /nfs/dbraw/zinc/28/88/91/523288891.db2.gz MZMKMMGMORSVNA-UHFFFAOYSA-N 1 0 374.488 3.740 50 0 FHAARO CCn1ccnc1CNCC1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000020454774 523540292 /nfs/dbraw/zinc/54/02/92/523540292.db2.gz VLENPOAVHVTJCG-UHFFFAOYSA-N 1 0 374.532 3.662 50 0 FHAARO COCC[NH+]1CCC(CN(C)C(=O)c2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000091662957 523812163 /nfs/dbraw/zinc/81/21/63/523812163.db2.gz ZVKIAZZHGUXCID-UHFFFAOYSA-N 1 0 373.324 3.732 50 0 FHAARO CCc1ccc(C[NH+]2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)cc1 ZINC000082160513 523924439 /nfs/dbraw/zinc/92/44/39/523924439.db2.gz YIPFRHHDQRUBBW-UHFFFAOYSA-N 1 0 367.541 3.617 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCSc3ccc(F)cc32)C1 ZINC000241316671 524222462 /nfs/dbraw/zinc/22/24/62/524222462.db2.gz LTXRHYVSJPSIFY-PBHICJAKSA-N 1 0 365.518 3.784 50 0 FHAARO C[C@H]1CC[N@H+](CCN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000252677680 524287615 /nfs/dbraw/zinc/28/76/15/524287615.db2.gz ZNHZFVOVQUKJKH-GUYCJALGSA-N 1 0 370.324 3.738 50 0 FHAARO Cc1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000020540114 524660886 /nfs/dbraw/zinc/66/08/86/524660886.db2.gz XOFVQPHGUHVHDA-SFHVURJKSA-N 1 0 360.933 3.758 50 0 FHAARO Cc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)[NH+](C)C ZINC000091563549 525366003 /nfs/dbraw/zinc/36/60/03/525366003.db2.gz BOEOPDBVSMVAJO-HXUWFJFHSA-N 1 0 366.440 3.557 50 0 FHAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000091643996 525440960 /nfs/dbraw/zinc/44/09/60/525440960.db2.gz ZYKCLIUXQSXANR-SFHVURJKSA-N 1 0 366.480 3.771 50 0 FHAARO CSCCC[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@@H]3C)cc2)CC1 ZINC000020540091 525477999 /nfs/dbraw/zinc/47/79/99/525477999.db2.gz HSSJAPADXZGOBK-INIZCTEOSA-N 1 0 361.555 3.513 50 0 FHAARO CSc1nnc(CC2CC[NH+](Cc3ccc(SC)cc3)CC2)n1C ZINC000082115192 526227184 /nfs/dbraw/zinc/22/71/84/526227184.db2.gz CMKCAULJTFECOM-UHFFFAOYSA-N 1 0 362.568 3.714 50 0 FHAARO O=C(CCC[N@@H+]1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1)c1ccc(F)cc1 ZINC000091645684 526433103 /nfs/dbraw/zinc/43/31/03/526433103.db2.gz SQDIKCNICRPVDU-JOCHJYFZSA-N 1 0 372.484 3.656 50 0 FHAARO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000085875861 526658733 /nfs/dbraw/zinc/65/87/33/526658733.db2.gz ILVGJMCPDZFZOX-RBUKOAKNSA-N 1 0 367.493 3.655 50 0 FHAARO NC(=O)[C@@H](C[NH2+]Cc1c(Cl)cccc1Cl)Cc1ccc(F)cc1 ZINC000089768049 526953345 /nfs/dbraw/zinc/95/33/45/526953345.db2.gz HBXFSABXLMVNDG-GFCCVEGCSA-N 1 0 355.240 3.566 50 0 FHAARO O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079191312 527332999 /nfs/dbraw/zinc/33/29/99/527332999.db2.gz ITGJBAIBOCJYQR-PKOBYXMFSA-N 1 0 369.534 3.733 50 0 FHAARO O=C(Nc1cccc(C[NH2+][C@H]2CCCC[C@@H]2O)c1)c1ccccc1Cl ZINC000078724807 527338229 /nfs/dbraw/zinc/33/82/29/527338229.db2.gz RCRYPFVFSIVZMD-OALUTQOASA-N 1 0 358.869 3.985 50 0 FHAARO C[NH+](C)C1CCN(c2cccc(Br)c2C(F)(F)F)CC1 ZINC000095080853 536114908 /nfs/dbraw/zinc/11/49/08/536114908.db2.gz LEGRFQWZNGDVOY-UHFFFAOYSA-N 1 0 351.210 3.998 50 0 FHAARO c1ccc(CSc2ncc(CN3CC[C@@H]([NH+]4CCCCC4)C3)cn2)cc1 ZINC000214994277 568039316 /nfs/dbraw/zinc/03/93/16/568039316.db2.gz SKMKRDTUANOSDG-HXUWFJFHSA-N 1 0 368.550 3.829 50 0 FHAARO CC[C@@H]1CN(Cc2ccccc2OCc2cccc(OC)c2)CC[N@@H+]1C ZINC000215164678 568055307 /nfs/dbraw/zinc/05/53/07/568055307.db2.gz NSFQCCFGCXLDEL-HXUWFJFHSA-N 1 0 354.494 3.800 50 0 FHAARO O=C(c1ccccn1)[C@H]1CCCN(Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000215248820 568059985 /nfs/dbraw/zinc/05/99/85/568059985.db2.gz SNUSSVZURNTBCJ-KRWDZBQOSA-N 1 0 369.534 3.834 50 0 FHAARO COc1[nH]c2cn(C(C)C)c(=O)c-2cc1C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000215344930 568064961 /nfs/dbraw/zinc/06/49/61/568064961.db2.gz YMNAQMSQCIZGJO-LJQANCHMSA-N 1 0 369.440 3.541 50 0 FHAARO Cc1cc(-n2cccn2)ccc1C[N@@H+](Cc1ccccn1)C[C@@H]1CCCO1 ZINC000215550682 568076523 /nfs/dbraw/zinc/07/65/23/568076523.db2.gz CDTWIGARKBJHSK-QFIPXVFZSA-N 1 0 362.477 3.757 50 0 FHAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(OCCCn3ccnc3)c2)on1 ZINC000215625583 568080557 /nfs/dbraw/zinc/08/05/57/568080557.db2.gz WLYIAJXZFQLMAM-HXUWFJFHSA-N 1 0 366.465 3.986 50 0 FHAARO C[N@@H+](Cc1ccc2cc(Cl)ccc2n1)C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000215851132 568092414 /nfs/dbraw/zinc/09/24/14/568092414.db2.gz LWRZWLXBJMYDQS-AWEZNQCLSA-N 1 0 359.901 3.967 50 0 FHAARO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2ccc(C3CCCC3)s2)CC1 ZINC000216304767 568117565 /nfs/dbraw/zinc/11/75/65/568117565.db2.gz GNHFMGJAGXRHGY-GOSISDBHSA-N 1 0 362.539 3.619 50 0 FHAARO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326906 568181008 /nfs/dbraw/zinc/18/10/08/568181008.db2.gz OMRSGQRINMGSON-MSOLQXFVSA-N 1 0 365.477 3.673 50 0 FHAARO O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC000218852373 568254191 /nfs/dbraw/zinc/25/41/91/568254191.db2.gz GEHUCXAWYOKTSC-NRFANRHFSA-N 1 0 358.445 3.855 50 0 FHAARO C[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1cc2ccccc2s1 ZINC000218930608 568257756 /nfs/dbraw/zinc/25/77/56/568257756.db2.gz ZNUZNCMMWTVJGL-UHFFFAOYSA-N 1 0 359.520 3.826 50 0 FHAARO O=C(c1ccc(Cl)c(Cl)c1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000219301255 568286662 /nfs/dbraw/zinc/28/66/62/568286662.db2.gz LALHPWDREXRSGV-HNNXBMFYSA-N 1 0 371.308 3.710 50 0 FHAARO CCC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000008328166 568299039 /nfs/dbraw/zinc/29/90/39/568299039.db2.gz JCBYCIOFXHPMEI-LPHOPBHVSA-N 1 0 371.502 3.846 50 0 FHAARO CC1CC[NH+](Cc2ccc(C(=O)N3CC(Oc4ccc(F)cc4)C3)o2)CC1 ZINC000220109843 568322499 /nfs/dbraw/zinc/32/24/99/568322499.db2.gz JBYAJEDVRNXFRA-UHFFFAOYSA-N 1 0 372.440 3.554 50 0 FHAARO Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=C3N=CNN32)s1 ZINC000220976879 568376758 /nfs/dbraw/zinc/37/67/58/568376758.db2.gz PNQXZJVPJCEZOD-QGZVFWFLSA-N 1 0 365.462 3.537 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)CSc2ccncc2)cc1 ZINC000221345726 568399628 /nfs/dbraw/zinc/39/96/28/568399628.db2.gz ZAMZIDQGUASEJO-LJQANCHMSA-N 1 0 355.507 3.599 50 0 FHAARO Cc1c(Cl)ccc2c(C(=O)N3CCC[NH2+]CC3)cc(-c3ccco3)nc12 ZINC000091859967 570441025 /nfs/dbraw/zinc/44/10/25/570441025.db2.gz OYVXEFADONXFJX-UHFFFAOYSA-N 1 0 369.852 3.892 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)c2ccccc12 ZINC000091932142 570442415 /nfs/dbraw/zinc/44/24/15/570442415.db2.gz DKPPBQYNLIEILB-RBUKOAKNSA-N 1 0 364.489 3.681 50 0 FHAARO Cc1nc2cc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4C)C3)ccc2n1-c1ccccc1 ZINC000091931898 570442545 /nfs/dbraw/zinc/44/25/45/570442545.db2.gz HCCWFWJCTZKPSD-YLJYHZDGSA-N 1 0 374.488 3.500 50 0 FHAARO Cc1ccc2[nH]c(CCn3cc(C4CC[NH+](C(C)C)CC4)nn3)nc2c1C ZINC000091951246 570443566 /nfs/dbraw/zinc/44/35/66/570443566.db2.gz CCKUFMRUPLZKAP-UHFFFAOYSA-N 1 0 366.513 3.602 50 0 FHAARO c1csc(-c2ncc(CN3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)cn2)c1 ZINC000092065687 570446686 /nfs/dbraw/zinc/44/66/86/570446686.db2.gz AZECUZZJTVEMGZ-FUHWJXTLSA-N 1 0 354.523 3.511 50 0 FHAARO CCN1CC2(CCC1=O)CC[NH+](CCCC(=O)c1ccc(C)cc1)CC2 ZINC000092081331 570447600 /nfs/dbraw/zinc/44/76/00/570447600.db2.gz HVDLROVLFPDKRI-UHFFFAOYSA-N 1 0 356.510 3.682 50 0 FHAARO Cc1cc2ccccc2n1CCNC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095356762 570453182 /nfs/dbraw/zinc/45/31/82/570453182.db2.gz FBARQFNWUHCZGX-UHFFFAOYSA-N 1 0 365.477 3.571 50 0 FHAARO c1c[nH]c(CN2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)n1 ZINC000095358409 570453206 /nfs/dbraw/zinc/45/32/06/570453206.db2.gz RPLLSCMWSKQAHV-IBGZPJMESA-N 1 0 350.510 3.644 50 0 FHAARO Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095377269 570457930 /nfs/dbraw/zinc/45/79/30/570457930.db2.gz UPBKGVPBFIJKJI-QGZVFWFLSA-N 1 0 365.477 3.640 50 0 FHAARO Cc1c(Cl)cc(C(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000095381950 570458914 /nfs/dbraw/zinc/45/89/14/570458914.db2.gz BWMNZZOHNMATPN-HNNXBMFYSA-N 1 0 371.308 3.629 50 0 FHAARO Cc1ccccc1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1ccncc1 ZINC000095381006 570458962 /nfs/dbraw/zinc/45/89/62/570458962.db2.gz KUKDVTOUBMJJPI-OAQYLSRUSA-N 1 0 351.494 3.716 50 0 FHAARO COCCN(Cc1ccsc1)C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000095388960 570460623 /nfs/dbraw/zinc/46/06/23/570460623.db2.gz FIARSFOAXBXIDX-UHFFFAOYSA-N 1 0 372.534 3.603 50 0 FHAARO O=C(NCCSC1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095499713 570462942 /nfs/dbraw/zinc/46/29/42/570462942.db2.gz UZGXDLCHQCSLMU-MRXNPFEDSA-N 1 0 350.528 3.674 50 0 FHAARO O=C(NCc1ccc(F)cc1Cl)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095504515 570463725 /nfs/dbraw/zinc/46/37/25/570463725.db2.gz BVEZJVBKYMDJOZ-AWEZNQCLSA-N 1 0 350.821 3.601 50 0 FHAARO COc1cccc(-c2cccc(NC(=O)[C@H]3CCCC[N@@H+]3CCCO)c2)c1 ZINC000095509392 570465513 /nfs/dbraw/zinc/46/55/13/570465513.db2.gz 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CC[C@@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1CCSc1ccccc1 ZINC000252549759 570623709 /nfs/dbraw/zinc/62/37/09/570623709.db2.gz RUYPNIUJCUDEDR-MSOLQXFVSA-N 1 0 350.572 3.724 50 0 FHAARO CC[S@](=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000253370738 570625322 /nfs/dbraw/zinc/62/53/22/570625322.db2.gz VGUWOGSHGBAHRI-YPCHGGDPSA-N 1 0 363.445 3.797 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=S)NC3CCCCC3)c(C)c2)CC1 ZINC000005262180 570640712 /nfs/dbraw/zinc/64/07/12/570640712.db2.gz QWFYJHNOHJMUDT-UHFFFAOYSA-N 1 0 360.571 3.756 50 0 FHAARO CC[C@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008327031 570680237 /nfs/dbraw/zinc/68/02/37/570680237.db2.gz VHJZYYOBJYEKHQ-MRXNPFEDSA-N 1 0 367.848 3.927 50 0 FHAARO O=C(NCCC[NH+]1CCCCC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000003044570 570681589 /nfs/dbraw/zinc/68/15/89/570681589.db2.gz PCANOLOKQSFDMB-UHFFFAOYSA-N 1 0 374.488 3.903 50 0 FHAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000008534245 570682854 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COc1ccc(CCN2C(=O)CC[C@H]2CC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000011788533 570707188 /nfs/dbraw/zinc/70/71/88/570707188.db2.gz GVQGGQKPIBMTQQ-FQEVSTJZSA-N 1 0 370.468 3.548 50 0 FHAARO OCC1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccccn2)CC1 ZINC000011821568 570708744 /nfs/dbraw/zinc/70/87/44/570708744.db2.gz RWQWOKJMKSLQKG-UHFFFAOYSA-N 1 0 364.411 3.918 50 0 FHAARO CSCCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011879794 570710743 /nfs/dbraw/zinc/71/07/43/570710743.db2.gz SGEQFWDETCQSFK-KRWDZBQOSA-N 1 0 368.974 3.806 50 0 FHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1cccs1 ZINC000011933002 570711803 /nfs/dbraw/zinc/71/18/03/570711803.db2.gz QHPDJMLCGPDDLE-UHFFFAOYSA-N 1 0 360.498 3.914 50 0 FHAARO CCCn1ncc(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)c1C ZINC000011954164 570713172 /nfs/dbraw/zinc/71/31/72/570713172.db2.gz OORXXAWRURJWON-QFIPXVFZSA-N 1 0 355.526 3.809 50 0 FHAARO COC[C@@H](C)[NH2+]Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000012029421 570714638 /nfs/dbraw/zinc/71/46/38/570714638.db2.gz 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3.591 50 0 FHAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)[C@@H]2CC=CCC2)cc1 ZINC000012744975 570759200 /nfs/dbraw/zinc/75/92/00/570759200.db2.gz JRNSWTFXGIWAFP-OAQYLSRUSA-N 1 0 370.537 3.764 50 0 FHAARO O=C(Cc1ccc(F)cc1F)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012836163 570765336 /nfs/dbraw/zinc/76/53/36/570765336.db2.gz HULCIPSMEXOPNR-SFHVURJKSA-N 1 0 350.453 3.668 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cccc2)cc1)c1cccc(F)c1 ZINC000032729690 570785358 /nfs/dbraw/zinc/78/53/58/570785358.db2.gz PKAGGRYWSKZLRQ-HXUWFJFHSA-N 1 0 351.425 3.649 50 0 FHAARO CCCC[NH2+]CC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000003153922 570788391 /nfs/dbraw/zinc/78/83/91/570788391.db2.gz TUERYUKPWFQTJF-UHFFFAOYSA-N 1 0 368.300 3.901 50 0 FHAARO Clc1ccccc1Cc1nc(-c2ccc(O[C@@H]3CC[NH2+]C3)cc2)no1 ZINC000169676837 570801295 /nfs/dbraw/zinc/80/12/95/570801295.db2.gz DXMJOQWJHWLLTH-MRXNPFEDSA-N 1 0 355.825 3.722 50 0 FHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000005704775 570824327 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COCc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)sc2cccc(F)c21 ZINC000046996387 570878028 /nfs/dbraw/zinc/87/80/28/570878028.db2.gz WNAUNNQWHHAPLQ-LSDHHAIUSA-N 1 0 362.470 3.543 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(F)cc1Br ZINC000046989443 570878197 /nfs/dbraw/zinc/87/81/97/570878197.db2.gz CDLAJRHOYVSJIQ-ZDUSSCGKSA-N 1 0 371.294 3.973 50 0 FHAARO COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3C)CC2)cc1F ZINC000047321681 570885738 /nfs/dbraw/zinc/88/57/38/570885738.db2.gz QXHWLALYLVDQCT-UHFFFAOYSA-N 1 0 371.456 3.929 50 0 FHAARO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000012072508 570888959 /nfs/dbraw/zinc/88/89/59/570888959.db2.gz VRGNYSDDIRYLJO-HXUWFJFHSA-N 1 0 350.453 3.825 50 0 FHAARO CC[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C[C@H](C)O ZINC000108090536 570902653 /nfs/dbraw/zinc/90/26/53/570902653.db2.gz UCHGZMFBWCEKSC-LAUBAEHRSA-N 1 0 367.493 3.663 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OC(F)F)c1)c1ccsc1 ZINC000047906531 570931881 /nfs/dbraw/zinc/93/18/81/570931881.db2.gz IJSLQYKVYHLCRC-CQSZACIVSA-N 1 0 355.410 3.774 50 0 FHAARO O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047906730 570932051 /nfs/dbraw/zinc/93/20/51/570932051.db2.gz KAQCQSCFXRKDGX-MRXNPFEDSA-N 1 0 361.392 3.684 50 0 FHAARO Cc1ccc(C[NH+]2CCC(C(=O)NCCc3ccccc3F)CC2)cc1 ZINC000047936634 570933112 /nfs/dbraw/zinc/93/31/12/570933112.db2.gz AGVSGTHPBBPHQO-UHFFFAOYSA-N 1 0 354.469 3.705 50 0 FHAARO CCC[C@H](NC(=O)[C@H](C)[NH2+]CCOc1ccccc1F)c1ccccc1 ZINC000049581038 570964864 /nfs/dbraw/zinc/96/48/64/570964864.db2.gz NEYHJMQJMKWEME-LPHOPBHVSA-N 1 0 358.457 3.840 50 0 FHAARO c1ccc(COc2ccccc2C[NH2+]C[C@H]2COc3ccccc3O2)nc1 ZINC000025311387 570993642 /nfs/dbraw/zinc/99/36/42/570993642.db2.gz OJENBUBACYZADW-IBGZPJMESA-N 1 0 362.429 3.590 50 0 FHAARO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025332028 570994581 /nfs/dbraw/zinc/99/45/81/570994581.db2.gz GEQDUXQRUGHGLU-GOSISDBHSA-N 1 0 369.490 3.673 50 0 FHAARO COc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c(OC)c1 ZINC000026312445 571004525 /nfs/dbraw/zinc/00/45/25/571004525.db2.gz OPLDRYZKAFVFCM-OAQYLSRUSA-N 1 0 357.450 3.962 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C)cc1 ZINC000026311133 571004586 /nfs/dbraw/zinc/00/45/86/571004586.db2.gz CJQDHMGJIBFLTQ-KRWDZBQOSA-N 1 0 360.523 3.876 50 0 FHAARO COc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c(OC)c1 ZINC000026312441 571004822 /nfs/dbraw/zinc/00/48/22/571004822.db2.gz OPLDRYZKAFVFCM-NRFANRHFSA-N 1 0 357.450 3.962 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000040070896 571011876 /nfs/dbraw/zinc/01/18/76/571011876.db2.gz WJCVNBNJUVWBDX-OAHLLOKOSA-N 1 0 356.413 3.729 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)[NH+]2CCCC2)cc1 ZINC000027749452 571020646 /nfs/dbraw/zinc/02/06/46/571020646.db2.gz BUCWASZDXZOMKJ-OAQYLSRUSA-N 1 0 366.505 3.944 50 0 FHAARO C[C@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000028305021 571024721 /nfs/dbraw/zinc/02/47/21/571024721.db2.gz JJLDTVHRWIZORM-NSHDSACASA-N 1 0 353.249 3.708 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)[NH+]2CCCC2)cc1 ZINC000027992514 571025307 /nfs/dbraw/zinc/02/53/07/571025307.db2.gz XQSVQCBFARWYQJ-HXUWFJFHSA-N 1 0 352.478 3.636 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)COc1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000028289399 571029633 /nfs/dbraw/zinc/02/96/33/571029633.db2.gz IFZCQJYLGFQZRK-HXUWFJFHSA-N 1 0 354.494 3.782 50 0 FHAARO COc1ccc(F)c2[nH]c(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc21 ZINC000225415859 571034025 /nfs/dbraw/zinc/03/40/25/571034025.db2.gz NCCCMGUTHPFEBI-CQSZACIVSA-N 1 0 361.461 3.700 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000072280564 571034684 /nfs/dbraw/zinc/03/46/84/571034684.db2.gz UGAQJLKMVIAPLH-NRFANRHFSA-N 1 0 368.525 3.827 50 0 FHAARO CN(C)[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccsc1 ZINC000028926534 571035513 /nfs/dbraw/zinc/03/55/13/571035513.db2.gz ARWPXVYITDBBSP-MRXNPFEDSA-N 1 0 366.914 3.955 50 0 FHAARO COc1ccccc1[C@H](CNc1ncnc2sccc21)[NH+]1CCCC1 ZINC000008338788 571041236 /nfs/dbraw/zinc/04/12/36/571041236.db2.gz HCQSBKCUSLXONK-INIZCTEOSA-N 1 0 354.479 3.949 50 0 FHAARO Cc1cc(N2CC[NH+](C3CC3)CC2)c2cccc(OC(F)(F)F)c2n1 ZINC000072286874 571041772 /nfs/dbraw/zinc/04/17/72/571041772.db2.gz YVAPYIVGQFESFA-UHFFFAOYSA-N 1 0 351.372 3.726 50 0 FHAARO CC(C)C[C@H](CNC(=O)NCc1ccncc1)[NH2+][C@H](C)c1ccccc1 ZINC000072289619 571044034 /nfs/dbraw/zinc/04/40/34/571044034.db2.gz XCKBBVGNAKUILG-YLJYHZDGSA-N 1 0 354.498 3.646 50 0 FHAARO CSCc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000029838435 571044084 /nfs/dbraw/zinc/04/40/84/571044084.db2.gz SSPQGAOINASDOX-UHFFFAOYSA-N 1 0 354.519 3.728 50 0 FHAARO C[NH+](C)Cc1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1 ZINC000030562218 571048056 /nfs/dbraw/zinc/04/80/56/571048056.db2.gz DRDVASWKWKLCRX-UHFFFAOYSA-N 1 0 374.488 3.741 50 0 FHAARO COCc1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000072294181 571050091 /nfs/dbraw/zinc/05/00/91/571050091.db2.gz CGPXEKSHESRPAP-SFHVURJKSA-N 1 0 367.493 3.961 50 0 FHAARO O=C(CCC(=O)c1ccc(F)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462106 571057711 /nfs/dbraw/zinc/05/77/11/571057711.db2.gz QVZNXCQRTASKBA-UHFFFAOYSA-N 1 0 368.452 3.701 50 0 FHAARO CC[NH+]1CCC(CCn2cnc3cc(C(F)(F)F)ccc3c2=O)CC1 ZINC000032565353 571058234 /nfs/dbraw/zinc/05/82/34/571058234.db2.gz LSBFRBKHJPGVTI-UHFFFAOYSA-N 1 0 353.388 3.537 50 0 FHAARO CN(CCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000008747013 571058928 /nfs/dbraw/zinc/05/89/28/571058928.db2.gz QMSANIUVVPBUDH-UHFFFAOYSA-N 1 0 365.521 3.929 50 0 FHAARO CC(C)c1ncc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cn1 ZINC000670473826 571059137 /nfs/dbraw/zinc/05/91/37/571059137.db2.gz XYLBJYNDADHGTA-FQEVSTJZSA-N 1 0 366.509 3.947 50 0 FHAARO O=C(c1ccccc1)N1CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000225770954 571064394 /nfs/dbraw/zinc/06/43/94/571064394.db2.gz FBOGFRDZMNOUJC-CVDCTZTESA-N 1 0 371.484 3.923 50 0 FHAARO c1cn(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)cn1 ZINC000039997022 571067351 /nfs/dbraw/zinc/06/73/51/571067351.db2.gz AJQKQCJJGVTYEA-UHFFFAOYSA-N 1 0 357.461 3.916 50 0 FHAARO Cc1c2cccc(C)c2oc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000053092109 571069320 /nfs/dbraw/zinc/06/93/20/571069320.db2.gz UDNLUOBADPEXHS-UHFFFAOYSA-N 1 0 363.461 3.839 50 0 FHAARO COc1ccccc1[C@@H](CNc1cc(=O)oc2ccc(C)cc12)[NH+](C)C ZINC000008915950 571072153 /nfs/dbraw/zinc/07/21/53/571072153.db2.gz YGIYVPWMNNNWHI-GOSISDBHSA-N 1 0 352.434 3.825 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)CCCc1c[nH]c2ccccc12)c1cccs1 ZINC000032970910 571077595 /nfs/dbraw/zinc/07/75/95/571077595.db2.gz FPRDXLPDRWOGQM-SFHVURJKSA-N 1 0 355.507 3.971 50 0 FHAARO CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cnn2ccccc12 ZINC000084456913 571086177 /nfs/dbraw/zinc/08/61/77/571086177.db2.gz XLZCXPWSRGMEFJ-FQEVSTJZSA-N 1 0 360.502 3.753 50 0 FHAARO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000039767172 571089791 /nfs/dbraw/zinc/08/97/91/571089791.db2.gz BFIFLZBGEDPIGY-QGZVFWFLSA-N 1 0 352.478 3.785 50 0 FHAARO COc1cccc(C[NH2+]CCN(C)C)c1OCc1c(F)cccc1Cl ZINC000040719474 571092044 /nfs/dbraw/zinc/09/20/44/571092044.db2.gz VIXRWBHAIFGRLD-UHFFFAOYSA-N 1 0 366.864 3.718 50 0 FHAARO c1ccc(C[NH2+]Cc2ccc(Oc3nnnn3-c3ccccc3)cc2)cc1 ZINC000040721942 571092794 /nfs/dbraw/zinc/09/27/94/571092794.db2.gz LCSNMCMNBRNHJO-UHFFFAOYSA-N 1 0 357.417 3.744 50 0 FHAARO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000084622400 571093422 /nfs/dbraw/zinc/09/34/22/571093422.db2.gz NNDNMFIIXKQGNX-QGZVFWFLSA-N 1 0 360.933 3.951 50 0 FHAARO COc1cc(C[NH2+]Cc2ccncc2)cc(Br)c1OC(C)C ZINC000040728942 571093630 /nfs/dbraw/zinc/09/36/30/571093630.db2.gz QJLULBAIYTYRRY-UHFFFAOYSA-N 1 0 365.271 3.930 50 0 FHAARO CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc3ccccc3c2)C1 ZINC000229737602 571095296 /nfs/dbraw/zinc/09/52/96/571095296.db2.gz GAIZDGHXIBLMDL-LEWJYISDSA-N 1 0 354.494 3.502 50 0 FHAARO CCn1c(C)c(C(C)=O)c2cc(OC[C@H](O)C[NH2+]C3CCCCC3)ccc21 ZINC000012421963 571097889 /nfs/dbraw/zinc/09/78/89/571097889.db2.gz YDVLWGQVXVQCMC-GOSISDBHSA-N 1 0 372.509 3.834 50 0 FHAARO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCc3occc32)c1 ZINC000119383419 571101094 /nfs/dbraw/zinc/10/10/94/571101094.db2.gz PLXJDOLCQKRJOQ-XJKSGUPXSA-N 1 0 358.438 3.681 50 0 FHAARO Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044852646 571103169 /nfs/dbraw/zinc/10/31/69/571103169.db2.gz WVAKATXIRNBGPC-GOSISDBHSA-N 1 0 352.478 3.788 50 0 FHAARO CC(C)COc1ccccc1CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000072313445 571107217 /nfs/dbraw/zinc/10/72/17/571107217.db2.gz FWVREBZTPJUEIR-OYRHEFFESA-N 1 0 373.585 3.712 50 0 FHAARO CN1CCN(c2cccc(N3CCC([NH2+]C4CCCCCC4)CC3)c2)C1=O ZINC000048066918 571108020 /nfs/dbraw/zinc/10/80/20/571108020.db2.gz LXKSTZAACVMBDH-UHFFFAOYSA-N 1 0 370.541 3.840 50 0 FHAARO Cc1noc(C)c1C[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000070040870 571108133 /nfs/dbraw/zinc/10/81/33/571108133.db2.gz ZJPJEGOZQGJADZ-HXUWFJFHSA-N 1 0 359.514 3.685 50 0 FHAARO CN(C)C(=O)c1cccc(C[N@@H+]2CCCN(c3ccccc3Cl)CC2)c1 ZINC000239667642 571108666 /nfs/dbraw/zinc/10/86/66/571108666.db2.gz BQYNMIUXAQGOOF-UHFFFAOYSA-N 1 0 371.912 3.754 50 0 FHAARO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000241587996 571110248 /nfs/dbraw/zinc/11/02/48/571110248.db2.gz OYVLFTCKRNKNFW-CVEARBPZSA-N 1 0 361.461 3.848 50 0 FHAARO C[N@H+](CCCOc1ccc(F)cc1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055041973 571115323 /nfs/dbraw/zinc/11/53/23/571115323.db2.gz ALCWJUJKXQIPOD-UHFFFAOYSA-N 1 0 358.388 3.707 50 0 FHAARO CN1CC[N@H+](C)[C@H](CC(=O)N(CCC2=CCCCC2)Cc2ccccc2)C1 ZINC000244874907 571118796 /nfs/dbraw/zinc/11/87/96/571118796.db2.gz XJKOAXFJISZWBR-JOCHJYFZSA-N 1 0 369.553 3.542 50 0 FHAARO CCOc1cc(C[NH2+]CCSc2c[nH]nn2)c(Cl)cc1OC(C)C ZINC000055343047 571119580 /nfs/dbraw/zinc/11/95/80/571119580.db2.gz USYIENFFTUEMTB-UHFFFAOYSA-N 1 0 370.906 3.526 50 0 FHAARO C[C@@H](CO)C[N@H+](Cc1nn(C)c2cccc(Cl)c12)Cc1ccccc1 ZINC000055370817 571119850 /nfs/dbraw/zinc/11/98/50/571119850.db2.gz UPMVYFMMOGCCNW-OAHLLOKOSA-N 1 0 357.885 3.857 50 0 FHAARO C[C@H](c1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)o1)[NH+]1CCCCC1 ZINC000055392918 571120361 /nfs/dbraw/zinc/12/03/61/571120361.db2.gz QMDFQRMRGUTCES-OAHLLOKOSA-N 1 0 370.449 3.827 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(COc2ccccc2)o1 ZINC000057997345 571123626 /nfs/dbraw/zinc/12/36/26/571123626.db2.gz FNVJUZRUUFHDNT-KRWDZBQOSA-N 1 0 356.466 3.853 50 0 FHAARO CCCN(C(=O)C1CCN(Cc2nc3ccccc3n2CC)CC1)C(C)C ZINC000248013926 571126917 /nfs/dbraw/zinc/12/69/17/571126917.db2.gz SACKHBLQNLKDNG-UHFFFAOYSA-N 1 0 370.541 3.915 50 0 FHAARO CCOCCC[NH2+]Cc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1 ZINC000248120125 571127839 /nfs/dbraw/zinc/12/78/39/571127839.db2.gz UVPBMKZIDBKOHX-UHFFFAOYSA-N 1 0 364.493 3.818 50 0 FHAARO CC(C)(CO)[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248182939 571128151 /nfs/dbraw/zinc/12/81/51/571128151.db2.gz ZQLCQNVWAJSSIG-UHFFFAOYSA-N 1 0 370.884 3.507 50 0 FHAARO FC(F)n1ccnc1CN1CC[NH+]([C@@H]2CCCCc3ccccc32)CC1 ZINC000086230362 571128693 /nfs/dbraw/zinc/12/86/93/571128693.db2.gz GRPGPWNSIUXUMO-GOSISDBHSA-N 1 0 360.452 3.864 50 0 FHAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)NC3CCCCC3)C2)nc2ccccc21 ZINC000249685591 571129069 /nfs/dbraw/zinc/12/90/69/571129069.db2.gz FXYZAMVGGZOEIL-KRWDZBQOSA-N 1 0 368.525 3.717 50 0 FHAARO O=C(NC1CC1)[C@H]([NH2+]CCCCOc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012855024 571129380 /nfs/dbraw/zinc/12/93/80/571129380.db2.gz ZXOKBIHOVBAVQN-HXUWFJFHSA-N 1 0 374.431 3.733 50 0 FHAARO Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)CC[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000252482673 571131845 /nfs/dbraw/zinc/13/18/45/571131845.db2.gz DLWWYXZIDOBPJZ-ZBFHGGJFSA-N 1 0 359.901 3.663 50 0 FHAARO CCN(CC[NH+]1CCCCCC1)C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000252482921 571131847 /nfs/dbraw/zinc/13/18/47/571131847.db2.gz DQHFXVSRONUVSS-HNNXBMFYSA-N 1 0 370.896 3.971 50 0 FHAARO C[N@@H+](Cc1cncn1C1CCCCC1)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000252495518 571133389 /nfs/dbraw/zinc/13/33/89/571133389.db2.gz ORZJRSZAGBSSEI-KRWDZBQOSA-N 1 0 358.530 3.611 50 0 FHAARO CC(C)OCCC[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000253376280 571135445 /nfs/dbraw/zinc/13/54/45/571135445.db2.gz SPFZMCUTXNEZMP-UHFFFAOYSA-N 1 0 364.493 3.898 50 0 FHAARO CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OC2CCCC2)c(OC)c1 ZINC000004657698 571155156 /nfs/dbraw/zinc/15/51/56/571155156.db2.gz BPWPQFZFHUZYKO-ZDUSSCGKSA-N 1 0 372.303 3.640 50 0 FHAARO NC(=O)C1(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CCCC1 ZINC000075092242 571153842 /nfs/dbraw/zinc/15/38/42/571153842.db2.gz OKGGUJWYMFMBHL-UHFFFAOYSA-N 1 0 355.463 3.692 50 0 FHAARO CCC(CC)c1cc(C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)on1 ZINC000075107355 571155321 /nfs/dbraw/zinc/15/53/21/571155321.db2.gz NCLFMCVLRKMYNL-OALUTQOASA-N 1 0 367.493 3.782 50 0 FHAARO O=C(C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)NCc1cccs1 ZINC000075107790 571155485 /nfs/dbraw/zinc/15/54/85/571155485.db2.gz XWEQHUNSEYXIGS-UYAOXDASSA-N 1 0 372.534 3.733 50 0 FHAARO Cn1cc([C@@H](CNC(=O)c2ccc(Cl)s2)[NH+](C)C)c2ccccc21 ZINC000075149180 571156943 /nfs/dbraw/zinc/15/69/43/571156943.db2.gz FKOUPLXUYHTENY-OAHLLOKOSA-N 1 0 361.898 3.926 50 0 FHAARO COc1cccc(-c2c[nH+]c(NCc3ccc(OC)cc3OC)n2C)c1 ZINC000004678585 571158495 /nfs/dbraw/zinc/15/84/95/571158495.db2.gz JOOFEYQLHGKKNK-UHFFFAOYSA-N 1 0 353.422 3.725 50 0 FHAARO NC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)cc1 ZINC000071755197 571165327 /nfs/dbraw/zinc/16/53/27/571165327.db2.gz QNSHEFIRIVVQTI-SFHVURJKSA-N 1 0 370.468 3.535 50 0 FHAARO Cc1cccc(C[NH+]2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c1 ZINC000035430987 571170055 /nfs/dbraw/zinc/17/00/55/571170055.db2.gz USXWHRMQKLQHOV-UHFFFAOYSA-N 1 0 361.489 3.523 50 0 FHAARO CN(Cc1cc2n(n1)CCC[NH2+]C2)Cc1ccc(Oc2ccccc2)cc1 ZINC000072124024 571170410 /nfs/dbraw/zinc/17/04/10/571170410.db2.gz YXFOTOSFDKFPIE-UHFFFAOYSA-N 1 0 362.477 3.801 50 0 FHAARO c1cncc(C[N@H+]2CCCN(Cc3cnc(C4CCCCC4)nc3)CC2)c1 ZINC000072128074 571170766 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CSc1ncc(C[N@@H+]2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)cn1 ZINC000072162958 571175933 /nfs/dbraw/zinc/17/59/33/571175933.db2.gz RFEIDMKRVIMAPZ-OAHLLOKOSA-N 1 0 353.495 3.763 50 0 FHAARO CCc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)nc1 ZINC000072168588 571177112 /nfs/dbraw/zinc/17/71/12/571177112.db2.gz KKLUWYYTSGYLKV-YTFSRNRJSA-N 1 0 365.496 3.845 50 0 FHAARO Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3CCN3CCOCC3)on2)cc1 ZINC000072167638 571177128 /nfs/dbraw/zinc/17/71/28/571177128.db2.gz UXAAKQHZYYMRCN-HXUWFJFHSA-N 1 0 369.509 3.727 50 0 FHAARO CCc1nc2cc(NC(=O)c3ccccc3[C@@H]3CC[NH2+]C3)ccc2n1CC ZINC000072168905 571177386 /nfs/dbraw/zinc/17/73/86/571177386.db2.gz ADNUGCJYERYVGA-OAHLLOKOSA-N 1 0 362.477 3.948 50 0 FHAARO CCc1nc2cc(NC(=O)c3ccccc3[C@H]3CC[NH2+]C3)ccc2n1CC ZINC000072168906 571177470 /nfs/dbraw/zinc/17/74/70/571177470.db2.gz ADNUGCJYERYVGA-HNNXBMFYSA-N 1 0 362.477 3.948 50 0 FHAARO CSc1nccc(N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)n1 ZINC000072173943 571177662 /nfs/dbraw/zinc/17/76/62/571177662.db2.gz DWHFNOGNZKEOAD-NRFANRHFSA-N 1 0 368.550 3.999 50 0 FHAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(c2noc(-c3ccccc3)n2)C1 ZINC000072172500 571177798 /nfs/dbraw/zinc/17/77/98/571177798.db2.gz KMVKJOZLCATPPK-IBGZPJMESA-N 1 0 363.465 3.623 50 0 FHAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000012982237 571184398 /nfs/dbraw/zinc/18/43/98/571184398.db2.gz KWXHZNPBKPOBGQ-HOTGVXAUSA-N 1 0 352.482 3.666 50 0 FHAARO CC1(C)CC(NC(=S)Nc2ccc(OC(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000003619729 571185887 /nfs/dbraw/zinc/18/58/87/571185887.db2.gz LFXOPEBBUBETAF-UHFFFAOYSA-N 1 0 357.470 3.884 50 0 FHAARO Cc1nc(C(=O)N2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)c(C)o1 ZINC000072423538 571193858 /nfs/dbraw/zinc/19/38/58/571193858.db2.gz YUOWIQAMVRVXBR-QFIPXVFZSA-N 1 0 367.493 3.810 50 0 FHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@H+](C)CCCO ZINC000072424136 571193971 /nfs/dbraw/zinc/19/39/71/571193971.db2.gz IWXDWWWXHVVOTF-UHFFFAOYSA-N 1 0 371.431 3.940 50 0 FHAARO Fc1ccc(CN2CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000072425303 571194285 /nfs/dbraw/zinc/19/42/85/571194285.db2.gz FKSXZCPKPBRWIY-UHFFFAOYSA-N 1 0 364.468 3.719 50 0 FHAARO O=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000072434409 571196345 /nfs/dbraw/zinc/19/63/45/571196345.db2.gz NYEXSMGTVZXQBB-GASCZTMLSA-N 1 0 365.864 3.780 50 0 FHAARO CCN1C[C@@]2(CCC[N@H+](CCCC(=O)c3ccc(F)cc3)C2)CCC1=O ZINC000072440813 571196754 /nfs/dbraw/zinc/19/67/54/571196754.db2.gz RKLVQPUNIXJUAV-NRFANRHFSA-N 1 0 360.473 3.513 50 0 FHAARO Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)s2)cc1 ZINC000092070957 571198106 /nfs/dbraw/zinc/19/81/06/571198106.db2.gz GQPFPUUCNVGLBL-INIZCTEOSA-N 1 0 353.495 3.622 50 0 FHAARO O=C1CC[C@H]2C[N@H+](Cc3cccc(O)c3)CC[C@H]2N1CCc1cccs1 ZINC000072473915 571198702 /nfs/dbraw/zinc/19/87/02/571198702.db2.gz ZNTFMCNSHIYZME-FXAWDEMLSA-N 1 0 370.518 3.509 50 0 FHAARO Fc1ccc(C[C@@H]2CCC[C@@H]2n2ccnc2-c2cc3n(n2)CC[NH2+]C3)cc1 ZINC000072474799 571198882 /nfs/dbraw/zinc/19/88/82/571198882.db2.gz MGMZHOBTUBUGGI-JXFKEZNVSA-N 1 0 365.456 3.573 50 0 FHAARO Oc1ccc(-c2ccccc2)cc1-n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072474407 571198926 /nfs/dbraw/zinc/19/89/26/571198926.db2.gz IZVAYWZWEUYETK-UHFFFAOYSA-N 1 0 371.444 3.602 50 0 FHAARO Cc1ccc(S(=O)(=O)n2c3ccc(C)cc3c3c2CCC[NH2+]C3)cc1 ZINC000075567657 571200880 /nfs/dbraw/zinc/20/08/80/571200880.db2.gz DXTUXZOMBIXLBB-UHFFFAOYSA-N 1 0 354.475 3.531 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNc1ncnc2onc(-c3cccc(Cl)c3)c21 ZINC000033269090 571204364 /nfs/dbraw/zinc/20/43/64/571204364.db2.gz OYGIGQGLNGADHK-AWEZNQCLSA-N 1 0 357.845 3.834 50 0 FHAARO Cc1ccc(CN(C)C(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)o1 ZINC000534584711 571205156 /nfs/dbraw/zinc/20/51/56/571205156.db2.gz ZKBDOQOLNVNZLK-IBGZPJMESA-N 1 0 359.445 3.706 50 0 FHAARO CCN(CC)c1ccc2cc(C(=O)NCCc3ccccc3)c(=[NH2+])oc2c1 ZINC000006517575 571206628 /nfs/dbraw/zinc/20/66/28/571206628.db2.gz OKZUEVMEJZMMJO-UHFFFAOYSA-N 1 0 363.461 3.731 50 0 FHAARO c1nc(C2CCCCC2)ncc1C[N@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000077340515 571208081 /nfs/dbraw/zinc/20/80/81/571208081.db2.gz UWJOKDXYMXYBRU-NRFANRHFSA-N 1 0 372.557 3.601 50 0 FHAARO COCc1c(C)onc1C(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077353564 571208496 /nfs/dbraw/zinc/20/84/96/571208496.db2.gz CTSYFBYRECSWBX-IBGZPJMESA-N 1 0 371.481 3.558 50 0 FHAARO CCn1nc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cc1C ZINC000077424530 571211217 /nfs/dbraw/zinc/21/12/17/571211217.db2.gz KDDRXPUKHZKZOG-FQEVSTJZSA-N 1 0 354.498 3.640 50 0 FHAARO CSc1ccccc1C[N@H+]1C[C@@H](c2ccc(C)cc2)[C@H](NC(C)=O)C1 ZINC000077440742 571211893 /nfs/dbraw/zinc/21/18/93/571211893.db2.gz SFODCVNEVOEFIX-VQTJNVASSA-N 1 0 354.519 3.821 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccncc2)cc1 ZINC000077537678 571214881 /nfs/dbraw/zinc/21/48/81/571214881.db2.gz PBMDIBREMRDTTM-OAQYLSRUSA-N 1 0 351.494 3.830 50 0 FHAARO CC(C)c1ccc(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023127616 571217375 /nfs/dbraw/zinc/21/73/75/571217375.db2.gz KCOWAPYZGAOTSS-UHFFFAOYSA-N 1 0 364.555 3.743 50 0 FHAARO C[C@H](c1ccc(-c2c[nH]c(C(=O)N3CCOCC3)c2)cc1)[NH+]1CCCCC1 ZINC000426386825 571218033 /nfs/dbraw/zinc/21/80/33/571218033.db2.gz ABTABGPTXPNKDR-QGZVFWFLSA-N 1 0 367.493 3.701 50 0 FHAARO COc1cc(C)c(-c2cccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)c2)cc1C ZINC000426438758 571225315 /nfs/dbraw/zinc/22/53/15/571225315.db2.gz BVVGMJVMAHEETL-LJQANCHMSA-N 1 0 352.478 3.755 50 0 FHAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cnn(-c4ccc(C)c(C)c4)c3)[C@H]2C1 ZINC000426442462 571225461 /nfs/dbraw/zinc/22/54/61/571225461.db2.gz ASJZARXRJJQPLP-FDFHNCONSA-N 1 0 369.509 3.648 50 0 FHAARO COc1ccc(CN(C)C(=O)NCC[NH+](C(C)C)C(C)C)c2cccnc12 ZINC000426442686 571225719 /nfs/dbraw/zinc/22/57/19/571225719.db2.gz QQQQHPZNRSSTIW-UHFFFAOYSA-N 1 0 372.513 3.504 50 0 FHAARO O=C(c1ccc(-c2ccncc2F)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000426485556 571227778 /nfs/dbraw/zinc/22/77/78/571227778.db2.gz CEEXWWZXTTVJLJ-UHFFFAOYSA-N 1 0 367.468 3.978 50 0 FHAARO Cc1ccc([C@H](C)CC[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)o1 ZINC000082092758 571227857 /nfs/dbraw/zinc/22/78/57/571227857.db2.gz HSBIQLJNUTYFIV-OAHLLOKOSA-N 1 0 353.466 3.980 50 0 FHAARO COc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)c(C)c1C ZINC000082099043 571228081 /nfs/dbraw/zinc/22/80/81/571228081.db2.gz JQLPGACQRZGDEK-UHFFFAOYSA-N 1 0 365.477 3.711 50 0 FHAARO CCC(=O)c1cccc(-c2cccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000426496821 571228499 /nfs/dbraw/zinc/22/84/99/571228499.db2.gz GQYJBDAWRVDOLC-OAQYLSRUSA-N 1 0 362.473 3.867 50 0 FHAARO O=C(Nc1ccc(F)cc1F)N[C@H]1CCCC[N@H+](Cc2ccccn2)C1 ZINC000082136991 571229044 /nfs/dbraw/zinc/22/90/44/571229044.db2.gz ZMOLEYPZUCJONL-INIZCTEOSA-N 1 0 360.408 3.536 50 0 FHAARO Cc1cccc(Oc2ccc3c(cc(C(=O)NCC[NH+](C)C)n3C)c2)c1 ZINC000004749240 571230869 /nfs/dbraw/zinc/23/08/69/571230869.db2.gz GAFICYAKUWYCMO-UHFFFAOYSA-N 1 0 351.450 3.570 50 0 FHAARO Nc1cc[nH+]cc1-c1ccc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)cc1 ZINC000426667145 571234626 /nfs/dbraw/zinc/23/46/26/571234626.db2.gz UBPJYZCRYYUDKI-LJQANCHMSA-N 1 0 365.477 3.582 50 0 FHAARO O=C(NCc1cccc2ccccc21)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000585150049 571234860 /nfs/dbraw/zinc/23/48/60/571234860.db2.gz IALHWXCPIUBJKF-LJQANCHMSA-N 1 0 365.502 3.975 50 0 FHAARO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(-c3ccc(C(F)(F)F)nc3)c2)C1 ZINC000426683808 571235031 /nfs/dbraw/zinc/23/50/31/571235031.db2.gz LZEVLNYMHPRIHZ-INIZCTEOSA-N 1 0 363.383 3.544 50 0 FHAARO Cc1ccccc1SC1CCN(C(=O)c2cccc(OCC[NH3+])c2)CC1 ZINC000426698477 571235519 /nfs/dbraw/zinc/23/55/19/571235519.db2.gz SRRKEMSKCVZGFD-UHFFFAOYSA-N 1 0 370.518 3.729 50 0 FHAARO CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000006612678 571237038 /nfs/dbraw/zinc/23/70/38/571237038.db2.gz RHNYDGCZVWQXDB-UHFFFAOYSA-N 1 0 371.477 4.000 50 0 FHAARO Cc1ncsc1CN1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091254344 571238632 /nfs/dbraw/zinc/23/86/32/571238632.db2.gz AHRALRDYLHRUKF-QFBILLFUSA-N 1 0 353.535 3.515 50 0 FHAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](C[C@H]1CCOC(C)(C)C1)CC2 ZINC000091303884 571238782 /nfs/dbraw/zinc/23/87/82/571238782.db2.gz WYSBGGSVCUWNKC-SFHVURJKSA-N 1 0 374.573 3.564 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccc(C)cc2)C3)cc1 ZINC000091468444 571239883 /nfs/dbraw/zinc/23/98/83/571239883.db2.gz UNIVURMJMUVUQS-PZJWPPBQSA-N 1 0 364.489 3.740 50 0 FHAARO Cc1ccsc1C[NH+]1CCC2(CC(=O)N(Cc3c(C)noc3C)C2)CC1 ZINC000091459806 571239892 /nfs/dbraw/zinc/23/98/92/571239892.db2.gz ISDQKJJLRJSDST-UHFFFAOYSA-N 1 0 373.522 3.676 50 0 FHAARO Cc1c2ccccc2oc1CN1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091587394 571240936 /nfs/dbraw/zinc/24/09/36/571240936.db2.gz APJAFXXCMWKTLQ-RTBURBONSA-N 1 0 356.510 3.658 50 0 FHAARO COCC[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COc1ccccc1C ZINC000036097352 571240987 /nfs/dbraw/zinc/24/09/87/571240987.db2.gz MZCIBXFJFZZNEY-OAQYLSRUSA-N 1 0 357.494 3.500 50 0 FHAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COC(C)(C)C)c1 ZINC000036098294 571241065 /nfs/dbraw/zinc/24/10/65/571241065.db2.gz UIJCETSVHMEHOB-HXUWFJFHSA-N 1 0 357.494 3.873 50 0 FHAARO COc1cccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccccc2)c1OC ZINC000036097042 571241148 /nfs/dbraw/zinc/24/11/48/571241148.db2.gz WOJMBQGSYCWDPS-LJQANCHMSA-N 1 0 373.493 3.602 50 0 FHAARO COc1ccc(C[N@H+](CC(C)C)C[C@H](O)Cc2ccccc2)cc1OC ZINC000036095629 571241155 /nfs/dbraw/zinc/24/11/55/571241155.db2.gz LBZKOQYDMBBDEF-HXUWFJFHSA-N 1 0 357.494 3.765 50 0 FHAARO Cc1ccc(-c2cc(C[N@H+]3CC[C@]4(C3)CCCN(C(C)C)C4=O)on2)cc1 ZINC000091617058 571241227 /nfs/dbraw/zinc/24/12/27/571241227.db2.gz WMVQHWDTUIMGHI-QFIPXVFZSA-N 1 0 367.493 3.873 50 0 FHAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102537 571241866 /nfs/dbraw/zinc/24/18/66/571241866.db2.gz PPWMMQZVXJQTRT-FQEVSTJZSA-N 1 0 359.441 3.532 50 0 FHAARO Cc1cccc(C)c1NC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccn2)C1 ZINC000091746331 571243384 /nfs/dbraw/zinc/24/33/84/571243384.db2.gz VGRTZRPZGJWKEQ-UYAOXDASSA-N 1 0 364.493 3.827 50 0 FHAARO CC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000169677805 571246829 /nfs/dbraw/zinc/24/68/29/571246829.db2.gz KNTNIIKNFPNIOU-PKOBYXMFSA-N 1 0 373.493 3.744 50 0 FHAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169681698 571247194 /nfs/dbraw/zinc/24/71/94/571247194.db2.gz KUKMVOKGXBWVIL-GHTZIAJQSA-N 1 0 357.494 3.873 50 0 FHAARO C[NH+](C)CCCNC(=O)c1cc2occc2n1Cc1ccccc1Cl ZINC000036359102 571249856 /nfs/dbraw/zinc/24/98/56/571249856.db2.gz JAJYTAIWFYPGMC-UHFFFAOYSA-N 1 0 359.857 3.618 50 0 FHAARO COc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036392049 571252600 /nfs/dbraw/zinc/25/26/00/571252600.db2.gz DTHQFMFYRQLPBV-SFHVURJKSA-N 1 0 366.505 3.929 50 0 FHAARO CCC[C@@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+](C)C)c1ccccc1 ZINC000006934684 571255192 /nfs/dbraw/zinc/25/51/92/571255192.db2.gz BNSDOIQSEDKUGI-NHCUHLMSSA-N 1 0 354.494 3.998 50 0 FHAARO C[C@@H](C[NH+]1CCCCC1)C(=O)N1CCC(CCOc2ccccc2)CC1 ZINC000065181269 571255888 /nfs/dbraw/zinc/25/58/88/571255888.db2.gz TYQAIFYDUVGXHG-IBGZPJMESA-N 1 0 358.526 3.816 50 0 FHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000007016400 571257391 /nfs/dbraw/zinc/25/73/91/571257391.db2.gz CDMPLPWGPGXJHD-IBGZPJMESA-N 1 0 366.461 3.714 50 0 FHAARO CCCCNC(=O)c1c(C)n([C@@H]2CCC[N@@H+](C(C)C)C2)nc1C(F)(F)F ZINC000036704550 571261079 /nfs/dbraw/zinc/26/10/79/571261079.db2.gz PIJVBUHBMCRFEG-CQSZACIVSA-N 1 0 374.451 3.786 50 0 FHAARO COc1ccc(OC)c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000010026479 571270125 /nfs/dbraw/zinc/27/01/25/571270125.db2.gz QGHDAZTVJBAFFM-UHFFFAOYSA-N 1 0 360.498 3.622 50 0 FHAARO O=C(c1ccc(Oc2cccnc2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000076041949 571273852 /nfs/dbraw/zinc/27/38/52/571273852.db2.gz NAMXGOAMHCLEHU-SFHVURJKSA-N 1 0 365.477 3.822 50 0 FHAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000237501832 571277258 /nfs/dbraw/zinc/27/72/58/571277258.db2.gz DNQSOZUPVQNPIV-CABCVRRESA-N 1 0 366.490 3.553 50 0 FHAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCCCc1ccc(Br)cc1 ZINC000237468373 571277262 /nfs/dbraw/zinc/27/72/62/571277262.db2.gz QHLABEBVDIVDPB-CJNGLKHVSA-N 1 0 353.304 3.500 50 0 FHAARO O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000007597293 571279523 /nfs/dbraw/zinc/27/95/23/571279523.db2.gz CUXXXPQKMBWOCB-INIZCTEOSA-N 1 0 366.383 3.794 50 0 FHAARO COc1cccc(NC(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000037477361 571285785 /nfs/dbraw/zinc/28/57/85/571285785.db2.gz RVMYKIPAAHCWTF-ICSRJNTNSA-N 1 0 351.450 3.843 50 0 FHAARO Cc1ccccc1Cn1c(C(=O)NCC[NH+]2CCCC2)cc2sccc21 ZINC000037588042 571288323 /nfs/dbraw/zinc/28/83/23/571288323.db2.gz DXLOPTSMCOVFSP-UHFFFAOYSA-N 1 0 367.518 3.885 50 0 FHAARO CCOC1CC(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)C1 ZINC000253417435 571312692 /nfs/dbraw/zinc/31/26/92/571312692.db2.gz MRKXPHUSRZCYAR-ZJRDLVKKSA-N 1 0 359.514 3.644 50 0 FHAARO C[NH+](C)[C@@H]1CCCN(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000584885171 571313674 /nfs/dbraw/zinc/31/36/74/571313674.db2.gz HZOIUMKREXLNHM-LJQANCHMSA-N 1 0 361.505 3.763 50 0 FHAARO CCCCN(Cc1ccncc1)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000584888707 571314249 /nfs/dbraw/zinc/31/42/49/571314249.db2.gz CPRSFUZFBGUUJX-IBGZPJMESA-N 1 0 358.530 3.800 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000027582796 571318150 /nfs/dbraw/zinc/31/81/50/571318150.db2.gz NJZRKWPVVMMHDK-INIZCTEOSA-N 1 0 365.304 3.825 50 0 FHAARO Cc1noc(C)c1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000055055603 571318564 /nfs/dbraw/zinc/31/85/64/571318564.db2.gz JGLWDOASZCEJBZ-UHFFFAOYSA-N 1 0 365.271 3.849 50 0 FHAARO CCOc1cc(C[N@H+](C)C2CCCCCC2)nc2nc(C(F)(F)F)nn21 ZINC000078995876 571326521 /nfs/dbraw/zinc/32/65/21/571326521.db2.gz QPKBJMJYPJBTQG-UHFFFAOYSA-N 1 0 371.407 3.696 50 0 FHAARO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000080027608 571328579 /nfs/dbraw/zinc/32/85/79/571328579.db2.gz OOGJIGNGPCFJTA-CABCVRRESA-N 1 0 355.482 3.569 50 0 FHAARO C[C@H]1C[C@@H](NC(=O)COc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000095408972 571329403 /nfs/dbraw/zinc/32/94/03/571329403.db2.gz KCGKQJKCNOZBBR-LPHOPBHVSA-N 1 0 372.896 3.888 50 0 FHAARO C[C@H]1Cc2ccc(Br)cc2[C@@H]1[NH2+]CCSCC(C)(C)O ZINC000095451019 571329848 /nfs/dbraw/zinc/32/98/48/571329848.db2.gz FTMJKCAOUVXJHY-XHDPSFHLSA-N 1 0 358.345 3.776 50 0 FHAARO CC(C)CNC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000095455998 571329997 /nfs/dbraw/zinc/32/99/97/571329997.db2.gz LSVJXTHFJQWFKA-QGZVFWFLSA-N 1 0 364.493 3.791 50 0 FHAARO CC(C)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020806431 571331739 /nfs/dbraw/zinc/33/17/39/571331739.db2.gz WCIVUARKHXXQAB-OAQYLSRUSA-N 1 0 372.484 3.511 50 0 FHAARO CS[C@@H]1CN(Cc2cc(F)ccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000095941527 571332355 /nfs/dbraw/zinc/33/23/55/571332355.db2.gz FOYRNYWBYRZHIU-JKSUJKDBSA-N 1 0 373.335 3.600 50 0 FHAARO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1ccccc1SC ZINC000096026638 571334077 /nfs/dbraw/zinc/33/40/77/571334077.db2.gz BYNDSECCYXOACX-OAQYLSRUSA-N 1 0 373.518 3.529 50 0 FHAARO C[NH2+]C[C@H]1CCN(C(=O)Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000299740460 571338214 /nfs/dbraw/zinc/33/82/14/571338214.db2.gz ZZVHGFUNQWDUDF-QGZVFWFLSA-N 1 0 372.896 3.529 50 0 FHAARO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000056172211 571339614 /nfs/dbraw/zinc/33/96/14/571339614.db2.gz KTBCDSDRBRUTJK-HOTGVXAUSA-N 1 0 365.477 3.866 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2cc3ccccc3cc2O)[NH+](C)C)cc1 ZINC000002657933 571340186 /nfs/dbraw/zinc/34/01/86/571340186.db2.gz KDBFGZAURIWHGR-FQEVSTJZSA-N 1 0 364.445 3.587 50 0 FHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC000056769059 571341583 /nfs/dbraw/zinc/34/15/83/571341583.db2.gz LOOCGFRNDNSXMJ-KRWDZBQOSA-N 1 0 369.509 3.664 50 0 FHAARO Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000057154922 571342442 /nfs/dbraw/zinc/34/24/42/571342442.db2.gz MLWJYMKFAJQRJS-QUCCMNQESA-N 1 0 353.466 3.559 50 0 FHAARO CC[C@@H](CNC(=O)CCC(=O)c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000029909160 571344190 /nfs/dbraw/zinc/34/41/90/571344190.db2.gz RATHQGXBYRTYMR-SFHVURJKSA-N 1 0 370.518 3.664 50 0 FHAARO COc1ccc(C(=O)OCCc2sc[n+](Cc3ccccc3)c2C)cc1 ZINC000003176552 571345185 /nfs/dbraw/zinc/34/51/85/571345185.db2.gz PJZDZUKUNOUURJ-UHFFFAOYSA-N 1 0 368.478 3.800 50 0 FHAARO C[C@@H]1CCC[C@@H](C)[NH+]1CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003189760 571345306 /nfs/dbraw/zinc/34/53/06/571345306.db2.gz STTINUWGALUHJH-ZIAGYGMSSA-N 1 0 358.935 3.660 50 0 FHAARO O=C(C[NH2+][C@@H]1CCCc2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000003289415 571346700 /nfs/dbraw/zinc/34/67/00/571346700.db2.gz WVLIKYMRAWIJMG-OAHLLOKOSA-N 1 0 360.360 3.614 50 0 FHAARO COc1cccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3cccs3)CC2)c1 ZINC000670445141 571350541 /nfs/dbraw/zinc/35/05/41/571350541.db2.gz IBEBTHBKBNVUDG-MRXNPFEDSA-N 1 0 373.522 3.735 50 0 FHAARO CC1CC[NH+](Cc2ccc(CNC(=O)CCc3ccccc3O)cc2)CC1 ZINC000031201248 571351510 /nfs/dbraw/zinc/35/15/10/571351510.db2.gz QMRVHXXNEUXMFO-UHFFFAOYSA-N 1 0 366.505 3.873 50 0 FHAARO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)C1 ZINC000164130642 571353585 /nfs/dbraw/zinc/35/35/85/571353585.db2.gz NGLPBTBMNXMVAG-INIZCTEOSA-N 1 0 374.916 3.638 50 0 FHAARO CN(Cc1cc(C[NH+]2CCCC2)cs1)Cc1cnc2ccccc2n1 ZINC000670455877 571354140 /nfs/dbraw/zinc/35/41/40/571354140.db2.gz QRDQHTQFZIHCRR-UHFFFAOYSA-N 1 0 352.507 3.919 50 0 FHAARO Cc1ccc([C@@]2(CC(=O)NCCC[NH+](C)C)CCO[C@@H](C(C)C)C2)cc1 ZINC000004084547 571354941 /nfs/dbraw/zinc/35/49/41/571354941.db2.gz VPRGUMSCKKEJOK-IRLDBZIGSA-N 1 0 360.542 3.526 50 0 biogenic FHAARO CCn1c[n+](C[C@H](O)COc2c(C)cccc2C)c2cc(C)c(C)cc21 ZINC000004137704 571356028 /nfs/dbraw/zinc/35/60/28/571356028.db2.gz ZJEPMANFIYQAPU-IBGZPJMESA-N 1 0 353.486 3.622 50 0 FHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1Br ZINC000032398794 571357301 /nfs/dbraw/zinc/35/73/01/571357301.db2.gz WWEFCUVAALPDAO-UHFFFAOYSA-N 1 0 373.294 3.627 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)COc1cccc2ccccc21)Cc1ccccc1 ZINC000008038732 571358581 /nfs/dbraw/zinc/35/85/81/571358581.db2.gz MGNFSQUDOSSPKA-HXUWFJFHSA-N 1 0 362.473 3.508 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)COc1cccc2ccccc21)Cc1ccccc1 ZINC000008038728 571358624 /nfs/dbraw/zinc/35/86/24/571358624.db2.gz MGNFSQUDOSSPKA-FQEVSTJZSA-N 1 0 362.473 3.508 50 0 FHAARO Cn1nccc1C1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000195503888 930521303 /nfs/dbraw/zinc/52/13/03/930521303.db2.gz VTDPPMCSVIFDAQ-UHFFFAOYSA-N 1 0 353.388 3.697 50 0 FHAARO CC1(C(=O)N[C@H](C2CC2)C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000290043905 932004613 /nfs/dbraw/zinc/00/46/13/932004613.db2.gz ILSSJNCPVJYJAR-MRXNPFEDSA-N 1 0 354.416 3.746 50 0 FHAARO Cc1[nH]c2ccccc2c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022591982 932833524 /nfs/dbraw/zinc/83/35/24/932833524.db2.gz QARQDVHSWLLFLJ-UHFFFAOYSA-N 1 0 363.461 3.523 50 0 FHAARO C[N@H+](Cc1ccccc1NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCCCC1 ZINC000172106615 935756411 /nfs/dbraw/zinc/75/64/11/935756411.db2.gz NVBHJCMBUFLAPH-RLLQIKCJSA-N 1 0 357.498 3.893 50 0 FHAARO C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)(C)C(F)F ZINC000657855551 938824744 /nfs/dbraw/zinc/82/47/44/938824744.db2.gz GQQGNEQSUUBBPW-QLFBSQMISA-N 1 0 368.468 3.705 50 0 FHAARO Cc1nccn1-c1ccc(N2CCC([N@H+](C)Cc3ccco3)CC2)cc1 ZINC000023310832 940158144 /nfs/dbraw/zinc/15/81/44/940158144.db2.gz RQCPWZIHQLREMZ-UHFFFAOYSA-N 1 0 350.466 3.875 50 0 FHAARO CN1CCc2ccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000165757332 940386244 /nfs/dbraw/zinc/38/62/44/940386244.db2.gz BJTPKVSPBCJTGK-UHFFFAOYSA-N 1 0 363.505 3.920 50 0 FHAARO Cc1cccc(NC(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCCC2)CCO3)c1 ZINC000581783933 940594986 /nfs/dbraw/zinc/59/49/86/940594986.db2.gz OWEXRIZITKADEO-IBGZPJMESA-N 1 0 357.498 3.636 50 0 FHAARO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000187124788 941078634 /nfs/dbraw/zinc/07/86/34/941078634.db2.gz SMNGGLORGHLGTE-SFHVURJKSA-N 1 0 357.473 3.573 50 0 FHAARO COc1cccc(/C=C\C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000098003960 941325897 /nfs/dbraw/zinc/32/58/97/941325897.db2.gz JCIKODRKMWPOGE-HJCTWCACSA-N 1 0 356.491 3.723 50 0 FHAARO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3cccc4ncccc34)C2)c1 ZINC000019794996 941856456 /nfs/dbraw/zinc/85/64/56/941856456.db2.gz LQWKYJBPESNQEY-HXUWFJFHSA-N 1 0 361.489 3.998 50 0 FHAARO CSc1cccc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000020514196 941891558 /nfs/dbraw/zinc/89/15/58/941891558.db2.gz ANSUYLRQIYUJBT-NRFANRHFSA-N 1 0 370.562 3.520 50 0 FHAARO CCCC[N@H+](C)[C@@H]1c2ccccc2C2(CC[NH+](Cc3ccoc3)CC2)[C@H]1O ZINC000020598558 941898661 /nfs/dbraw/zinc/89/86/61/941898661.db2.gz ROEPLSOPWHJLCY-YADHBBJMSA-N 1 0 368.521 3.961 50 0 FHAARO Cc1ncsc1CN1CCC2(CC1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000257185898 942584218 /nfs/dbraw/zinc/58/42/18/942584218.db2.gz JYFZTLLGZLSDQV-UHFFFAOYSA-N 1 0 352.507 3.570 50 0 FHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCN(Cc2ccc(C)o2)CC1 ZINC000257195051 942681520 /nfs/dbraw/zinc/68/15/20/942681520.db2.gz VGWQSLIMPMDODI-UHFFFAOYSA-N 1 0 365.477 3.715 50 0 FHAARO Cc1ccc(CNC(=O)[C@@H]2OCC[N@H+](C3CCCC3)[C@H]2c2ccccc2)o1 ZINC000675010934 943607652 /nfs/dbraw/zinc/60/76/52/943607652.db2.gz OJACSABLWXIDKD-LEWJYISDSA-N 1 0 368.477 3.589 50 0 FHAARO O=C(CCCc1c[nH]c2ccccc12)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000888088610 948003983 /nfs/dbraw/zinc/00/39/83/948003983.db2.gz IELOUCYTSDBCJI-NQIIRXRSSA-N 1 0 353.510 3.871 50 0 FHAARO C[C@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000888099977 948443382 /nfs/dbraw/zinc/44/33/82/948443382.db2.gz MEYLISHTMJPDFH-UONOGXRCSA-N 1 0 357.420 3.798 50 0 FHAARO COc1ccc(N(Cc2cccs2)C(=O)C[C@@H]2CC[NH2+]C[C@@H]2F)cc1 ZINC000888101560 948444024 /nfs/dbraw/zinc/44/40/24/948444024.db2.gz INDAKBXFZRWNLH-KSSFIOAISA-N 1 0 362.470 3.628 50 0 FHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC000020999149 948645779 /nfs/dbraw/zinc/64/57/79/948645779.db2.gz PBYGGRVVWKDZSW-HXUWFJFHSA-N 1 0 373.541 3.982 50 0 FHAARO CCc1ccc(OCC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000170629016 222609232 /nfs/dbraw/zinc/60/92/32/222609232.db2.gz JKETWCIKCZBPEH-SFHVURJKSA-N 1 0 366.505 3.970 50 0 FHAARO COC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000225360653 210177992 /nfs/dbraw/zinc/17/79/92/210177992.db2.gz ZLLPIFCUYKOSCT-ZIAGYGMSSA-N 1 0 358.404 3.781 50 0 FHAARO O=C1N(Cc2cccnc2)CCC[C@]12CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000011937459 210101050 /nfs/dbraw/zinc/10/10/50/210101050.db2.gz YLZDZGZRWGLAHM-OAQYLSRUSA-N 1 0 369.896 3.750 50 0 FHAARO c1ccc(OCC[NH2+]C2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000097596029 210099586 /nfs/dbraw/zinc/09/95/86/210099586.db2.gz JSTQBJWIPHEGLD-UHFFFAOYSA-N 1 0 353.491 3.934 50 0 FHAARO O=C([O-])CC[C@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@H]1[NH+]1CCCC1 ZINC000299791689 210034480 /nfs/dbraw/zinc/03/44/80/210034480.db2.gz HKUFDANMEWZGIB-RBBKRZOGSA-N 1 0 366.505 3.991 50 0 FHAARO c1cn(CCCc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cn1 ZINC000299789304 210032049 /nfs/dbraw/zinc/03/20/49/210032049.db2.gz YVAQHUYCKRBRNL-OTWHNJEPSA-N 1 0 363.465 3.592 50 0 FHAARO COc1ccc([C@H](NC(=O)CC[NH+]2CCCCCC2)c2ccncc2)cc1 ZINC000299789445 210031698 /nfs/dbraw/zinc/03/16/98/210031698.db2.gz XEZVPCSBPJELCZ-QFIPXVFZSA-N 1 0 367.493 3.562 50 0 FHAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N1CCc2sccc2C1 ZINC000299788266 210029318 /nfs/dbraw/zinc/02/93/18/210029318.db2.gz RIQXRXFLOGLPGK-OTWHNJEPSA-N 1 0 352.503 3.858 50 0 FHAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccnc2Cl)C1 ZINC000299787180 210028585 /nfs/dbraw/zinc/02/85/85/210028585.db2.gz VKHOQBRUWJBYDL-HNNXBMFYSA-N 1 0 358.873 3.687 50 0 FHAARO CC(C)c1nnsc1C(=O)N1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000299778167 210022552 /nfs/dbraw/zinc/02/25/52/210022552.db2.gz PACCWDOGJRBYSR-INIZCTEOSA-N 1 0 358.511 3.700 50 0 FHAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cccc(-c2ccccn2)c1 ZINC000299776104 210021359 /nfs/dbraw/zinc/02/13/59/210021359.db2.gz KJTJVDFVGDIEQF-GOSISDBHSA-N 1 0 371.484 3.925 50 0 FHAARO [NH3+]CC[C@@H]1CN(C(=O)Nc2ccc(-c3cccc(Cl)c3)cc2)CCO1 ZINC000299773739 210019218 /nfs/dbraw/zinc/01/92/18/210019218.db2.gz DMYVBLRTDFRILB-GOSISDBHSA-N 1 0 359.857 3.589 50 0 FHAARO C[NH+](C)C[C@@]1(CO)CCCN(C(=O)Nc2cccc(-c3ccccc3)c2)C1 ZINC000299765381 210014211 /nfs/dbraw/zinc/01/42/11/210014211.db2.gz GBVOZTANIOCAFB-QFIPXVFZSA-N 1 0 367.493 3.522 50 0 FHAARO Cn1cc(Cl)c(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)n1 ZINC000299760648 210010933 /nfs/dbraw/zinc/01/09/33/210010933.db2.gz WESALFJUUPZGQM-IMJJTQAJSA-N 1 0 369.856 3.817 50 0 FHAARO O=C(Nc1ccc2c(c1)Nc1ccccc1CC2)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000299760778 210011012 /nfs/dbraw/zinc/01/10/12/210011012.db2.gz XFFBHJWMQWCICP-MOPGFXCFSA-N 1 0 362.477 3.887 50 0 FHAARO C[C@@H](c1ccc(C(=O)N(C)Cc2cnc3ccccn23)o1)[NH+]1CCCCC1 ZINC000299755441 210008591 /nfs/dbraw/zinc/00/85/91/210008591.db2.gz CYXLECVWJIYQCG-INIZCTEOSA-N 1 0 366.465 3.746 50 0 FHAARO CC(C)c1cc(C(C)C)c(S(=O)(=O)NCC[NH+](C)C)c(C(C)C)c1 ZINC000001288526 219393727 /nfs/dbraw/zinc/39/37/27/219393727.db2.gz YYXKCROKJURGHD-UHFFFAOYSA-N 1 0 354.560 3.897 50 0 FHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000237496451 222908828 /nfs/dbraw/zinc/90/88/28/222908828.db2.gz GNAZAAOYEFZXBB-GOEBONIOSA-N 1 0 370.880 3.770 50 0 FHAARO CC[NH+](CC)CCN(C(=O)c1ccco1)c1nc2ccc(OC)cc2s1 ZINC000005121810 219653158 /nfs/dbraw/zinc/65/31/58/219653158.db2.gz HGRMXYQVNLJVTL-UHFFFAOYSA-N 1 0 373.478 3.887 50 0 FHAARO O=C(NCc1cccc(Cl)c1)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818098 212045609 /nfs/dbraw/zinc/04/56/09/212045609.db2.gz JQLYSYYZZDQKLG-UHFFFAOYSA-N 1 0 358.844 3.928 50 0 FHAARO C[C@@H](CCNC(=O)c1csc(-c2ccncc2)n1)[NH+]1CCCCCC1 ZINC000064667435 212041880 /nfs/dbraw/zinc/04/18/80/212041880.db2.gz UJEVQOJMJVRTEJ-HNNXBMFYSA-N 1 0 358.511 3.590 50 0 FHAARO Cc1ccn2c(=O)cc(C[N@@H+](Cc3ccc(F)cc3)CC(C)C)nc2c1 ZINC000064590828 212040679 /nfs/dbraw/zinc/04/06/79/212040679.db2.gz NYZPGQWHTUXUFR-UHFFFAOYSA-N 1 0 353.441 3.800 50 0 FHAARO Cc1nc(C)n(C[C@@H](C)c2nc(-c3ccccc3)nn2-c2cc[nH+]cc2C)n1 ZINC000063882273 212035100 /nfs/dbraw/zinc/03/51/00/212035100.db2.gz MTVUDLDYBACALF-OAHLLOKOSA-N 1 0 373.464 3.650 50 0 FHAARO O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@@H]1CCC[NH2+]1 ZINC000063869344 212035499 /nfs/dbraw/zinc/03/54/99/212035499.db2.gz RVOIWHOSDAHPBC-RDELFYGPSA-N 1 0 359.429 3.801 50 0 FHAARO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000062580332 212030269 /nfs/dbraw/zinc/03/02/69/212030269.db2.gz LJPPAHKNHMIRAL-GOSISDBHSA-N 1 0 358.869 3.994 50 0 FHAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCCO2)c1 ZINC000012714394 220021504 /nfs/dbraw/zinc/02/15/04/220021504.db2.gz QUZFQZKUIYFNJP-OAQYLSRUSA-N 1 0 363.461 3.817 50 0 FHAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccoc4C)C3)C2)c1 ZINC000012707935 220019859 /nfs/dbraw/zinc/01/98/59/220019859.db2.gz ZWGSUVQVUGYAFO-JOCHJYFZSA-N 1 0 368.477 3.725 50 0 FHAARO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000012710026 220020107 /nfs/dbraw/zinc/02/01/07/220020107.db2.gz ZOOMWBZDPDNZNF-GOSISDBHSA-N 1 0 356.432 3.640 50 0 FHAARO C[C@H]1CCC[C@](CNC(=O)Nc2ccccc2-n2cccn2)([NH+](C)C)C1 ZINC000058368948 212006206 /nfs/dbraw/zinc/00/62/06/212006206.db2.gz BOJRSZWIBSVOIL-JXFKEZNVSA-N 1 0 355.486 3.504 50 0 FHAARO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000046877830 211843093 /nfs/dbraw/zinc/84/30/93/211843093.db2.gz JSBVADNWWUVIAU-NSHDSACASA-N 1 0 359.695 3.564 50 0 FHAARO CC(C)(C)c1cn2nc(NC[C@@H](c3ccco3)[NH+]3CCCC3)sc2n1 ZINC000040153402 211731967 /nfs/dbraw/zinc/73/19/67/211731967.db2.gz HGAATIWKYAIEOT-ZDUSSCGKSA-N 1 0 359.499 3.930 50 0 FHAARO Cc1c2ccccc2[nH]c1CN1CC[N@@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000039500578 211709156 /nfs/dbraw/zinc/70/91/56/211709156.db2.gz UGSCIFHLOLQYGN-LJQANCHMSA-N 1 0 355.526 3.678 50 0 FHAARO O=C(CCOc1ccccc1)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000036098383 211652035 /nfs/dbraw/zinc/65/20/35/211652035.db2.gz SWDTUJYAPKOGKC-HXUWFJFHSA-N 1 0 356.441 3.548 50 0 FHAARO O=C(c1cc2ccc3cccnc3c2[nH]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000035373887 211635338 /nfs/dbraw/zinc/63/53/38/211635338.db2.gz QKCCCFRUKJGSRN-UHFFFAOYSA-N 1 0 362.477 3.807 50 0 FHAARO CCCc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000032951754 211578094 /nfs/dbraw/zinc/57/80/94/211578094.db2.gz URNKAMLCEOHVML-UHFFFAOYSA-N 1 0 364.555 3.526 50 0 FHAARO CSc1ccc(CN(C)Cn2nc(C[NH+]3CCCC3)oc2=S)cc1 ZINC000024992209 211419457 /nfs/dbraw/zinc/41/94/57/211419457.db2.gz XQGLURHAHLFGNU-UHFFFAOYSA-N 1 0 364.540 3.613 50 0 FHAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000023249333 211381882 /nfs/dbraw/zinc/38/18/82/211381882.db2.gz FWANGFMIFGHTSR-MOPGFXCFSA-N 1 0 374.525 3.518 50 0 FHAARO COc1cc(OC)c(C[N@H+](C)CCc2ccccn2)cc1Br ZINC000023114736 211375559 /nfs/dbraw/zinc/37/55/59/211375559.db2.gz XSQXDTRXYAFHSW-UHFFFAOYSA-N 1 0 365.271 3.536 50 0 FHAARO CCOc1cccc(C[NH2+]CCN(C)C)c1OCc1ccccc1Cl ZINC000022937090 211372067 /nfs/dbraw/zinc/37/20/67/211372067.db2.gz DMRSTTOKYIWXNO-UHFFFAOYSA-N 1 0 362.901 3.969 50 0 FHAARO COc1ccc(/C=C/CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000022913494 211368582 /nfs/dbraw/zinc/36/85/82/211368582.db2.gz JPPZZORWFWKHCI-PABBZOGXSA-N 1 0 372.553 3.657 50 0 FHAARO CCC[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)CC1 ZINC000022877320 211367489 /nfs/dbraw/zinc/36/74/89/211367489.db2.gz UDAUBGVAJZZYIO-IBGZPJMESA-N 1 0 365.521 3.558 50 0 FHAARO O=C(N1CCC[N@H+](Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000022610894 211357332 /nfs/dbraw/zinc/35/73/32/211357332.db2.gz GEFZNLXIWWQURF-UHFFFAOYSA-N 1 0 352.522 3.937 50 0 FHAARO CC[NH+](CC)CCNc1nc2c(cnn2C)c(Nc2cccc(Cl)c2)n1 ZINC000021928965 211330278 /nfs/dbraw/zinc/33/02/78/211330278.db2.gz ZIYJGXYZZDQDCA-UHFFFAOYSA-N 1 0 373.892 3.514 50 0 FHAARO Cc1ccccc1-c1noc2ncnc(NCCC[NH+]3CCCCC3)c21 ZINC000021714651 211320081 /nfs/dbraw/zinc/32/00/81/211320081.db2.gz PHNPAKCBPNGFQO-UHFFFAOYSA-N 1 0 351.454 3.881 50 0 FHAARO Cc1cccc(-n2ncc(C(=O)N3CCC(C)CC3)c2C2CC[NH2+]CC2)c1 ZINC000021018163 211304101 /nfs/dbraw/zinc/30/41/01/211304101.db2.gz CYVFFWGZNSJRJC-UHFFFAOYSA-N 1 0 366.509 3.520 50 0 FHAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccc(F)c(OC)c2)C1 ZINC000020999834 211302858 /nfs/dbraw/zinc/30/28/58/211302858.db2.gz QXTAXDQYICKEQS-IBGZPJMESA-N 1 0 357.473 3.716 50 0 FHAARO Fc1ccc2[nH]c(C3CC[NH+]([C@@H]4COc5ccccc5C4)CC3)nc2c1 ZINC000020996874 211301028 /nfs/dbraw/zinc/30/10/28/211301028.db2.gz QVXRBQUBADZCEW-KRWDZBQOSA-N 1 0 351.425 3.885 50 0 FHAARO Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000020889885 211299407 /nfs/dbraw/zinc/29/94/07/211299407.db2.gz HTSFQMGWGDZHHM-GOSISDBHSA-N 1 0 355.457 3.820 50 0 FHAARO CC(=O)c1cc(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cs1 ZINC000020786069 211295975 /nfs/dbraw/zinc/29/59/75/211295975.db2.gz ZYKXNPIOFSQGGD-FQEVSTJZSA-N 1 0 354.519 3.973 50 0 FHAARO Cc1ccccc1CN1CC[N@@H+](C2C3CC4CC(C3)CC2C4)C[C@@H]1CCO ZINC000020601764 211289638 /nfs/dbraw/zinc/28/96/38/211289638.db2.gz YNPXYOHUDMRUFW-AEPNLLPJSA-N 1 0 368.565 3.688 50 0 FHAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575548 211288229 /nfs/dbraw/zinc/28/82/29/211288229.db2.gz HBTOBYMFZRYRLC-HUUCEWRRSA-N 1 0 350.466 3.709 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)c(OC)c1)[NH2+]CC2 ZINC000020529153 211286632 /nfs/dbraw/zinc/28/66/32/211286632.db2.gz JDGBKYFUXSFRMX-NRFANRHFSA-N 1 0 357.450 3.736 50 0 FHAARO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)c2cc3c(cc2o1)CCC3 ZINC000020502821 211283740 /nfs/dbraw/zinc/28/37/40/211283740.db2.gz SLZGMGKWEBJRSC-UHFFFAOYSA-N 1 0 374.484 3.600 50 0 FHAARO CC(C)CC[N@@H+]1CCN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1CCO ZINC000020207425 211271943 /nfs/dbraw/zinc/27/19/43/211271943.db2.gz GYJJSBIQDUTZSX-SFHVURJKSA-N 1 0 358.448 3.620 50 0 FHAARO Cc1cc(C)n(-c2cccc(CN(C)C(=O)CC[N@H+]3CCC[C@@H](C)C3)c2)n1 ZINC000019732299 211251905 /nfs/dbraw/zinc/25/19/05/211251905.db2.gz ZBCZBDMSSNDWIP-QGZVFWFLSA-N 1 0 368.525 3.570 50 0 FHAARO CCCCC[N@@H+]1CCC[C@H]1c1ccc(C(=O)N2CCc3n[nH]cc3C2)s1 ZINC000019744877 211253003 /nfs/dbraw/zinc/25/30/03/211253003.db2.gz LDDHSFGZDDJCEQ-KRWDZBQOSA-N 1 0 372.538 3.997 50 0 FHAARO COc1ccc(-c2cccc(-c3ccn(CC[C@@H]4CCC[N@@H+]4C)n3)c2)nn1 ZINC000019111866 211201744 /nfs/dbraw/zinc/20/17/44/211201744.db2.gz RFPJSABZOICOKQ-SFHVURJKSA-N 1 0 363.465 3.500 50 0 FHAARO CCc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000017317652 211184098 /nfs/dbraw/zinc/18/40/98/211184098.db2.gz PCDXHDKIOJCOGQ-UHFFFAOYSA-N 1 0 372.534 3.713 50 0 FHAARO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(C)c1 ZINC000015831700 211145671 /nfs/dbraw/zinc/14/56/71/211145671.db2.gz WRWJUMPCBHBNGD-FQEVSTJZSA-N 1 0 351.494 3.990 50 0 FHAARO Cc1cc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)ccc1Cl ZINC000015831524 211145028 /nfs/dbraw/zinc/14/50/28/211145028.db2.gz KTSDOZMGXGWSDY-KRWDZBQOSA-N 1 0 364.917 3.894 50 0 FHAARO COc1cccc(NC(=O)N2CCC(C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000015830984 211145064 /nfs/dbraw/zinc/14/50/64/211145064.db2.gz LRYRVFZWWJUOHC-CALCHBBNSA-N 1 0 359.514 3.917 50 0 FHAARO CCOC(=O)c1c(C)oc2ncnc(NCCC[N@@H+]3CCCC[C@H]3CC)c21 ZINC000015727191 211140087 /nfs/dbraw/zinc/14/00/87/211140087.db2.gz UYPINSMGJIBCNQ-OAHLLOKOSA-N 1 0 374.485 3.774 50 0 FHAARO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)[nH]n2)cc1C ZINC000015679341 211137625 /nfs/dbraw/zinc/13/76/25/211137625.db2.gz XQBXPBHIMGLEMQ-UHFFFAOYSA-N 1 0 366.509 3.784 50 0 FHAARO COC(=O)CC[C@H](C)[N@@H+]1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000015065665 211117900 /nfs/dbraw/zinc/11/79/00/211117900.db2.gz FYVHEKAAAZTKHS-HNNXBMFYSA-N 1 0 363.461 3.930 50 0 FHAARO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCCC[C@@H]3CO)ccc2c1 ZINC000015066598 211117047 /nfs/dbraw/zinc/11/70/47/211117047.db2.gz KIKWUSFEOLOLQQ-LJQANCHMSA-N 1 0 351.450 3.585 50 0 FHAARO CSCCN1C(=O)CC[C@H]1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000014997172 211113386 /nfs/dbraw/zinc/11/33/86/211113386.db2.gz QVZHETFCVAZJLW-HNNXBMFYSA-N 1 0 360.445 3.539 50 0 FHAARO O=C1CC[C@@H]2C[N@@H+](Cc3cccs3)CC[C@@H]2N1Cc1ccc(F)cc1 ZINC000014987414 211111406 /nfs/dbraw/zinc/11/14/06/211111406.db2.gz BSAUGBQQBSDVJW-APWZRJJASA-N 1 0 358.482 3.900 50 0 FHAARO O=C(CCC1CC[NH+](Cc2cc3ccccc3o2)CC1)NC[C@H]1CCCO1 ZINC000014970777 211107948 /nfs/dbraw/zinc/10/79/48/211107948.db2.gz KNWWQCQBTQIVKH-LJQANCHMSA-N 1 0 370.493 3.720 50 0 FHAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccs3)C2)c1 ZINC000014957495 211107181 /nfs/dbraw/zinc/10/71/81/211107181.db2.gz BZLRXSWZPHBYCA-QGZVFWFLSA-N 1 0 356.491 3.593 50 0 FHAARO Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)cn1 ZINC000014952719 211106606 /nfs/dbraw/zinc/10/66/06/211106606.db2.gz IBLOVMYGCQZJGP-QFIPXVFZSA-N 1 0 355.526 3.898 50 0 FHAARO COc1ccc(Cl)cc1C[N@H+](C)C[C@H](O)COc1cc(C)ccc1C ZINC000014200931 211086196 /nfs/dbraw/zinc/08/61/96/211086196.db2.gz FMTSCQLKKKHAPZ-SFHVURJKSA-N 1 0 363.885 3.837 50 0 FHAARO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000014166799 211081103 /nfs/dbraw/zinc/08/11/03/211081103.db2.gz QUJAKULRPQONAJ-UHFFFAOYSA-N 1 0 354.425 3.975 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000014061955 211070110 /nfs/dbraw/zinc/07/01/10/211070110.db2.gz QOGAKDLSKWHCLD-GOSISDBHSA-N 1 0 368.868 3.763 50 0 FHAARO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](CCc2ccncc2)CC1 ZINC000013718430 211051426 /nfs/dbraw/zinc/05/14/26/211051426.db2.gz DEJRKIOELRDJNX-UHFFFAOYSA-N 1 0 358.873 3.517 50 0 FHAARO CCc1cc2c(C[N@H+](C)CCOc3cccc(C)c3)cc(=O)oc2cc1O ZINC000012926760 211009004 /nfs/dbraw/zinc/00/90/04/211009004.db2.gz GDTKVKVMMQSHOI-UHFFFAOYSA-N 1 0 367.445 3.880 50 0 FHAARO O=C1c2ccccc2C(=O)N1CC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000012900500 211005650 /nfs/dbraw/zinc/00/56/50/211005650.db2.gz QHRYHJFHAGEZKT-UHFFFAOYSA-N 1 0 371.440 3.553 50 0 FHAARO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000012908999 211004895 /nfs/dbraw/zinc/00/48/95/211004895.db2.gz DJXXEASBIQVNGY-MRXNPFEDSA-N 1 0 354.450 3.769 50 0 FHAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@H](C)CC3CC3)CC2)c1 ZINC000012704880 210981652 /nfs/dbraw/zinc/98/16/52/210981652.db2.gz JSTSPIUAPDDPMK-OAHLLOKOSA-N 1 0 372.509 3.619 50 0 FHAARO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@H+](CCC(C)C)C3)C2=O)c1 ZINC000012073766 210913001 /nfs/dbraw/zinc/91/30/01/210913001.db2.gz DUESPEBGOZATQN-NRFANRHFSA-N 1 0 362.489 3.695 50 0 FHAARO CC[NH+](CC)CCCNc1nc2sc3c(c2c2ncnn21)C[C@@H](C)CC3 ZINC000005576175 210630002 /nfs/dbraw/zinc/63/00/02/210630002.db2.gz LCXLJHAZOYFTED-ZDUSSCGKSA-N 1 0 372.542 3.608 50 0 FHAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000004278790 210519690 /nfs/dbraw/zinc/51/96/90/210519690.db2.gz ZJDRRKNLMXXMKO-LJQANCHMSA-N 1 0 353.466 3.998 50 0 FHAARO COc1cccc(CC[NH2+]Cc2cc(Br)ccc2OC)c1 ZINC000019720356 220292067 /nfs/dbraw/zinc/29/20/67/220292067.db2.gz KCBNLXLKQRXCEB-UHFFFAOYSA-N 1 0 350.256 3.799 50 0 FHAARO COc1cccc(CC[NH2+]Cc2ccc(OC)c(Br)c2)c1 ZINC000019720401 220292589 /nfs/dbraw/zinc/29/25/89/220292589.db2.gz LSLSUVWXKUFUHV-UHFFFAOYSA-N 1 0 350.256 3.799 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1Br)c1ccc(F)cc1 ZINC000010329689 210356318 /nfs/dbraw/zinc/35/63/18/210356318.db2.gz DLRKTRLASYGZRX-MRXNPFEDSA-N 1 0 365.246 3.621 50 0 FHAARO O=C1C[C@H]([NH2+]C23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccccc1Cl ZINC000020011054 220308254 /nfs/dbraw/zinc/30/82/54/220308254.db2.gz UKGHQOSOGKWQES-GGUBCUDOSA-N 1 0 358.869 3.530 50 0 FHAARO COc1ccc(CN2CCC([NH+]3CCCCCC3)CC2)c(OC)c1OC ZINC000001157802 210327629 /nfs/dbraw/zinc/32/76/29/210327629.db2.gz HYKRJDFAQOJXAG-UHFFFAOYSA-N 1 0 362.514 3.553 50 0 FHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(OC)cc1 ZINC000001087649 210315072 /nfs/dbraw/zinc/31/50/72/210315072.db2.gz HMILYULWXHPWRY-UHFFFAOYSA-N 1 0 366.465 3.639 50 0 FHAARO CC[NH+](CC)CCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OC ZINC000000948835 210294254 /nfs/dbraw/zinc/29/42/54/210294254.db2.gz YBGSFYQIXYFYPH-UHFFFAOYSA-N 1 0 360.479 3.872 50 0 FHAARO CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCC[NH+](C)C ZINC000000948986 210293837 /nfs/dbraw/zinc/29/38/37/210293837.db2.gz BYHSJWSHAPYVGN-UHFFFAOYSA-N 1 0 356.253 3.692 50 0 FHAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccccc1OC ZINC000000809661 210274493 /nfs/dbraw/zinc/27/44/93/210274493.db2.gz LHPFQLMOIOZQRZ-UHFFFAOYSA-N 1 0 352.482 3.999 50 0 FHAARO COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)cc1OC ZINC000058168764 221101720 /nfs/dbraw/zinc/10/17/20/221101720.db2.gz SPSRGMYKQNKBJR-UHFFFAOYSA-N 1 0 355.413 3.627 50 0 FHAARO C[N@@H+](Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1)C[C@@H]1CCCO1 ZINC000065376108 221206424 /nfs/dbraw/zinc/20/64/24/221206424.db2.gz WUSJXEPLTNIJJT-KRWDZBQOSA-N 1 0 359.857 3.598 50 0 FHAARO Cc1cc(-n2nc(CCc3ccccc3)nc2[C@H](O)c2ccccc2)cc[nH+]1 ZINC000065375712 221206569 /nfs/dbraw/zinc/20/65/69/221206569.db2.gz PTWRYGLUTIJWCA-JOCHJYFZSA-N 1 0 370.456 3.838 50 0 FHAARO C[C@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)c1nc2c(s1)CCCC2 ZINC000065394669 221209395 /nfs/dbraw/zinc/20/93/95/221209395.db2.gz HJQPHKANOYGZLS-AWEZNQCLSA-N 1 0 373.522 3.704 50 0 FHAARO Oc1ccc(-c2c(-c3ccccc3)ncn2CCC[NH+]2CCOCC2)cc1 ZINC000065404271 221213453 /nfs/dbraw/zinc/21/34/53/221213453.db2.gz PXZRPKWAFKFNHV-UHFFFAOYSA-N 1 0 363.461 3.645 50 0 FHAARO CC/C=C\CCc1c(-c2ccccc2)ncn1CC[NH+]1CCN(C)CC1 ZINC000065454971 221220323 /nfs/dbraw/zinc/22/03/23/221220323.db2.gz MJBGDLPFDUUKID-PLNGDYQASA-N 1 0 352.526 3.696 50 0 FHAARO CCCCC(=O)Nc1cc(NC(=O)[C@H]([NH3+])C2CCCCC2)ccc1OC ZINC000065454603 221220346 /nfs/dbraw/zinc/22/03/46/221220346.db2.gz IOWUOTOJUMLULK-LJQANCHMSA-N 1 0 361.486 3.670 50 0 FHAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000065506476 221227835 /nfs/dbraw/zinc/22/78/35/221227835.db2.gz MKUTWVTYETYSJD-KRWDZBQOSA-N 1 0 367.493 3.999 50 0 FHAARO C[N@@H+]1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2cccc3nonc32)C1 ZINC000065533229 221233087 /nfs/dbraw/zinc/23/30/87/221233087.db2.gz RRSGVJSTHKUJDZ-OAHLLOKOSA-N 1 0 359.433 3.705 50 0 FHAARO O=C(CCCOc1cccc2ccccc21)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000065591687 221234786 /nfs/dbraw/zinc/23/47/86/221234786.db2.gz HJGUBHSFDGKZNR-IBGZPJMESA-N 1 0 352.478 3.696 50 0 FHAARO C[C@H](CCN(C)Cc1cnc2c(-c3ccccc3)cnn2c1)[NH+]1CCCC1 ZINC000067431854 221252838 /nfs/dbraw/zinc/25/28/38/221252838.db2.gz GWWOCTNSUPUOJT-GOSISDBHSA-N 1 0 363.509 3.703 50 0 FHAARO Cc1cccnc1C[C@@H](C)[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067654106 221266743 /nfs/dbraw/zinc/26/67/43/221266743.db2.gz JVXXJGZSQSVURS-GOSISDBHSA-N 1 0 351.494 3.558 50 0 FHAARO CC(C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cnn(C)c1C1CC1)C2 ZINC000067489866 221257319 /nfs/dbraw/zinc/25/73/19/221257319.db2.gz MAXHSWPITJJILH-JOCHJYFZSA-N 1 0 372.557 3.548 50 0 FHAARO Cc1ccc2[nH]c(C[NH2+]C[C@@]3(c4ccc(F)cc4)CCOC3)nc2c1C ZINC000067490514 221257746 /nfs/dbraw/zinc/25/77/46/221257746.db2.gz OBXCHRUEPCMRNU-NRFANRHFSA-N 1 0 353.441 3.767 50 0 FHAARO Oc1cc(-c2cccnc2)cc2c1OCC[N@@H+](C1Cc3ccccc3C1)C2 ZINC000067587436 221259790 /nfs/dbraw/zinc/25/97/90/221259790.db2.gz ZSBNHJDOWWILPW-UHFFFAOYSA-N 1 0 358.441 3.816 50 0 FHAARO Cc1cccnc1C[C@H](C)[N@H+](C)Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067588863 221261130 /nfs/dbraw/zinc/26/11/30/221261130.db2.gz BPOHMYVMSZFRRJ-AWEZNQCLSA-N 1 0 355.869 3.948 50 0 FHAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CC3CCCCC3)C2=O)cc1 ZINC000067713789 221275555 /nfs/dbraw/zinc/27/55/55/221275555.db2.gz ASZUZHHKKCMKAR-HSZRJFAPSA-N 1 0 372.553 3.833 50 0 FHAARO CCC[C@H]1C=CC[N@@H+]1Cc1ccc(C(=O)Nc2c(C)cc(=O)[nH]c2C)cc1 ZINC000067723235 221276369 /nfs/dbraw/zinc/27/63/69/221276369.db2.gz MJZYJAGUMCKQLF-IBGZPJMESA-N 1 0 365.477 3.785 50 0 FHAARO Cc1ccc2[nH]c(CCCNc3nc(CC[NH3+])nc4ccccc43)nc2c1C ZINC000067725939 221278214 /nfs/dbraw/zinc/27/82/14/221278214.db2.gz SDWYUPVMGDGNKT-UHFFFAOYSA-N 1 0 374.492 3.669 50 0 FHAARO CCc1c[nH]nc1C1CC[NH+](Cc2cc(OC)ccc2-n2cccn2)CC1 ZINC000067678316 221270787 /nfs/dbraw/zinc/27/07/87/221270787.db2.gz NPHBPFFEOVJRFC-UHFFFAOYSA-N 1 0 365.481 3.546 50 0 FHAARO C[NH2+]CCCNc1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)cn1 ZINC000067741877 221279526 /nfs/dbraw/zinc/27/95/26/221279526.db2.gz DFNIIETWEYJAGP-IBGZPJMESA-N 1 0 366.509 3.513 50 0 FHAARO CC(C)[NH+]1CCC(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)CC1 ZINC000067772246 221282944 /nfs/dbraw/zinc/28/29/44/221282944.db2.gz ZPDLSPNIIQDGRY-UHFFFAOYSA-N 1 0 367.493 3.521 50 0 FHAARO [NH3+]C[C@H]1Cc2cc(-c3ccccc3OCCn3ccnc3)cc(Cl)c2O1 ZINC000067872912 221299552 /nfs/dbraw/zinc/29/95/52/221299552.db2.gz ASUQQQYMFIJMEZ-MRXNPFEDSA-N 1 0 369.852 3.545 50 0 FHAARO C[NH+]1CCN(Cc2ccccc2Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000067965190 221309786 /nfs/dbraw/zinc/30/97/86/221309786.db2.gz UCEKLEGZSIXBJV-UHFFFAOYSA-N 1 0 351.372 3.640 50 0 FHAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C[C@@H]2CCC[NH2+]C2)CCO3)s1 ZINC000067967399 221310221 /nfs/dbraw/zinc/31/02/21/221310221.db2.gz XGDJYIZQZZKAHX-OAHLLOKOSA-N 1 0 358.507 3.623 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CC1 ZINC000069509838 221326175 /nfs/dbraw/zinc/32/61/75/221326175.db2.gz ZWLOLAKSSBRXQF-UHFFFAOYSA-N 1 0 369.387 3.669 50 0 FHAARO CN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000070016933 221330536 /nfs/dbraw/zinc/33/05/36/221330536.db2.gz HPLQZDJLGFGACK-OAQYLSRUSA-N 1 0 354.469 3.881 50 0 FHAARO Cc1cncc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1 ZINC000071750509 221361857 /nfs/dbraw/zinc/36/18/57/221361857.db2.gz JKDJMLRRGQDYLX-OAQYLSRUSA-N 1 0 369.484 3.902 50 0 FHAARO CC[C@H]1C[N@H+](Cc2c(C)nn(CC)c2C)CCC(=O)N1Cc1ccccc1 ZINC000071708002 221355317 /nfs/dbraw/zinc/35/53/17/221355317.db2.gz JTVZMBCDDPGEKQ-FQEVSTJZSA-N 1 0 368.525 3.533 50 0 FHAARO COc1ccc(-c2nc(CN3CC([N@@H+]4CCCC[C@H]4C)C3)c(C)o2)c(F)c1 ZINC000071762636 221370034 /nfs/dbraw/zinc/37/00/34/221370034.db2.gz YGSIUTSARSTCHU-CQSZACIVSA-N 1 0 373.472 3.856 50 0 FHAARO Cc1noc(-c2ccc(-c3cc(O)cc(CC[C@H]4CCCC[NH2+]4)c3)nc2)n1 ZINC000071765521 221372270 /nfs/dbraw/zinc/37/22/70/221372270.db2.gz HFHSJSULOPWREV-GOSISDBHSA-N 1 0 364.449 3.887 50 0 FHAARO CC(C)[NH+]1CCC([C@H]2c3[nH]cnc3CCN2CCc2ccccc2)CC1 ZINC000071775927 221375329 /nfs/dbraw/zinc/37/53/29/221375329.db2.gz MVDDRJNHILYVQQ-QFIPXVFZSA-N 1 0 352.526 3.672 50 0 FHAARO C[C@H](C1CCN(C(=O)c2ccc(CCC(C)(C)O)cc2)CC1)[NH+]1CCCC1 ZINC000072427112 221516591 /nfs/dbraw/zinc/51/65/91/221516591.db2.gz PHFOWXOGWFSVJY-GOSISDBHSA-N 1 0 372.553 3.727 50 0 FHAARO FC(F)(F)c1ccc(C[NH+]2CCN(c3nncc4ccccc43)CC2)cc1 ZINC000089873293 132200294 /nfs/dbraw/zinc/20/02/94/132200294.db2.gz JYNLFIGBLJBSQN-UHFFFAOYSA-N 1 0 372.394 3.971 50 0 FHAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000095354233 132207255 /nfs/dbraw/zinc/20/72/55/132207255.db2.gz SVWHILPIIJXKDC-LJQANCHMSA-N 1 0 363.509 3.767 50 0 FHAARO Cc1nc2sccc2c(N2CCC([NH2+][C@H]3COC4(CCCC4)C3)CC2)n1 ZINC000095498956 132212073 /nfs/dbraw/zinc/21/20/73/132212073.db2.gz OHSAGUFCTQMDON-MRXNPFEDSA-N 1 0 372.538 3.660 50 0 FHAARO COc1ccc(CC[NH+]2CCN(c3c(C)cccc3C)CC2)cc1OC ZINC000002572964 132383701 /nfs/dbraw/zinc/38/37/01/132383701.db2.gz VCUGEIWFIODVQY-UHFFFAOYSA-N 1 0 354.494 3.685 50 0 FHAARO COc1ccc(Cl)cc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928943 136138501 /nfs/dbraw/zinc/13/85/01/136138501.db2.gz RVTJCVDRKMSYOH-UHFFFAOYSA-N 1 0 374.872 3.782 50 0 FHAARO CNc1nc(N2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)cc(C)[nH+]1 ZINC000071755255 136140399 /nfs/dbraw/zinc/14/03/99/136140399.db2.gz GHBWFXFGINTCOO-LJQANCHMSA-N 1 0 364.449 3.566 50 0 FHAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](Cc1ccoc1)CC2 ZINC000091830006 221803132 /nfs/dbraw/zinc/80/31/32/221803132.db2.gz WVDZREPGHQXTHQ-UHFFFAOYSA-N 1 0 360.404 3.573 50 0 FHAARO Cc1ccc([C@H]2CN(C(=O)c3ccco3)C[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000096281437 222109789 /nfs/dbraw/zinc/10/97/89/222109789.db2.gz XMZDBDRLASBNSZ-VQTJNVASSA-N 1 0 352.478 3.930 50 0 FHAARO CN(C)Cc1nnc(C2CC[NH+](C/C=C/c3ccccc3)CC2)n1C1CC1 ZINC000096161055 222060344 /nfs/dbraw/zinc/06/03/44/222060344.db2.gz LGBROXZGNNPMSD-RMKNXTFCSA-N 1 0 365.525 3.567 50 0 FHAARO Nc1nc(CCC[NH2+]C2CCN(c3nc4ccccc4s3)CC2)cs1 ZINC000096161903 222061926 /nfs/dbraw/zinc/06/19/26/222061926.db2.gz FRWCUSJJPRAPNJ-UHFFFAOYSA-N 1 0 373.551 3.526 50 0 FHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ccc2nccnc2c1 ZINC000097547470 222189334 /nfs/dbraw/zinc/18/93/34/222189334.db2.gz WHDAPUUHLWMKSI-QFIPXVFZSA-N 1 0 374.488 3.977 50 0 FHAARO Fc1ccc(C[N@@H+]2CCC[C@H](Nc3nccc(-c4cccnc4)n3)C2)cc1 ZINC000097436774 222180467 /nfs/dbraw/zinc/18/04/67/222180467.db2.gz WODHNFFYZJFIDO-IBGZPJMESA-N 1 0 363.440 3.754 50 0 FHAARO CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000097602567 222196806 /nfs/dbraw/zinc/19/68/06/222196806.db2.gz ZBHDWUZLVJUXAX-KRWDZBQOSA-N 1 0 370.497 3.673 50 0 FHAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000097716999 222207549 /nfs/dbraw/zinc/20/75/49/222207549.db2.gz MBQMSWWDRKSIQH-HXUWFJFHSA-N 1 0 363.505 3.625 50 0 FHAARO O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(C[NH+]2CCCC2)o1 ZINC000097785630 222213250 /nfs/dbraw/zinc/21/32/50/222213250.db2.gz WZRIVUHINZEDLK-OAQYLSRUSA-N 1 0 361.445 3.790 50 0 FHAARO COc1ccc(N2C(=O)C[C@H]([C@H]3CCCC=C3[NH+]3CCCCC3)C2=O)cc1 ZINC000101130496 222262963 /nfs/dbraw/zinc/26/29/63/222262963.db2.gz FCHGOTAXHIXVHB-RTBURBONSA-N 1 0 368.477 3.745 50 0 FHAARO Cc1nc(-c2cccc(NC(=O)N3C[C@H]4CC[C@@H](C3)[C@H]4[NH+](C)C)c2)cs1 ZINC000102631981 222302666 /nfs/dbraw/zinc/30/26/66/222302666.db2.gz AIFOKBITJGIMDM-MNZLEMJZSA-N 1 0 370.522 3.922 50 0 FHAARO COc1ccc2ccccc2c1CN1CC[N@H+](CC(C)(C)C)[C@H](CCO)C1 ZINC000104397494 222358576 /nfs/dbraw/zinc/35/85/76/222358576.db2.gz IDQPVBKDAXWWIO-LJQANCHMSA-N 1 0 370.537 3.763 50 0 FHAARO Fc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000106109725 222382047 /nfs/dbraw/zinc/38/20/47/222382047.db2.gz MGTNBLMEXLEPLM-YADHBBJMSA-N 1 0 354.469 3.864 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000106526652 222386515 /nfs/dbraw/zinc/38/65/15/222386515.db2.gz KVVFCTWEPDRTQE-SCTDSRPQSA-N 1 0 359.514 3.568 50 0 FHAARO CC(C)(CNC(=O)c1cccc(OC(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025461047 263388318 /nfs/dbraw/zinc/38/83/18/263388318.db2.gz IZNYLTFWXRHPBQ-UHFFFAOYSA-N 1 0 374.431 3.855 50 0 FHAARO Fc1cc(F)cc(-c2cn(C3CC[NH+](C4CCSCC4)CC3)nn2)c1 ZINC000048428402 263407288 /nfs/dbraw/zinc/40/72/88/263407288.db2.gz VHIKCVZDPYHQFT-UHFFFAOYSA-N 1 0 364.465 3.756 50 0 FHAARO C[C@@H](c1ccc(-c2cc(N3CCCC3)nc(N)n2)cc1)[NH+]1CCCCC1 ZINC000426726914 263663941 /nfs/dbraw/zinc/66/39/41/263663941.db2.gz QILRHKGZJCMVJZ-INIZCTEOSA-N 1 0 351.498 3.703 50 0 FHAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1)N1CCCC1 ZINC000011754261 518198373 /nfs/dbraw/zinc/19/83/73/518198373.db2.gz YNOOKFVCDVGKQF-GOSISDBHSA-N 1 0 351.494 3.849 50 0 FHAARO CC(C)[NH+]1CCC(CC(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000091305038 519669773 /nfs/dbraw/zinc/66/97/73/519669773.db2.gz DXFLTXMNJVVCIP-QFIPXVFZSA-N 1 0 351.494 3.798 50 0 FHAARO CC(C)OCc1cccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000252506460 519776135 /nfs/dbraw/zinc/77/61/35/519776135.db2.gz SZUJJDHBGDYPQN-IHPCNDPISA-N 1 0 357.498 3.560 50 0 FHAARO CCC[N@@H+]1CCCn2nc(CNC(=O)Nc3cccc(SC)c3)cc2C1 ZINC000082138451 519854643 /nfs/dbraw/zinc/85/46/43/519854643.db2.gz JCWPLRRZFBUIKR-UHFFFAOYSA-N 1 0 373.526 3.542 50 0 FHAARO CCOC(=O)C1(CC2CC2)CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000019788288 520456947 /nfs/dbraw/zinc/45/69/47/520456947.db2.gz VWKUBMAYWUUZHL-NRFANRHFSA-N 1 0 370.537 3.706 50 0 FHAARO CCOc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1Br ZINC000020177085 521004033 /nfs/dbraw/zinc/00/40/33/521004033.db2.gz IHVSQNBWBBGUCR-INIZCTEOSA-N 1 0 350.256 3.671 50 0 FHAARO CCCn1ncc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)c1C ZINC000020385720 521671732 /nfs/dbraw/zinc/67/17/32/521671732.db2.gz AOAHEMNSJQFXKM-HXUWFJFHSA-N 1 0 358.505 3.837 50 0 FHAARO C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000252666186 524411294 /nfs/dbraw/zinc/41/12/94/524411294.db2.gz ASHCZBLTJLUGOC-QCFAMHMHSA-N 1 0 358.526 3.751 50 0 FHAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000242389493 524901050 /nfs/dbraw/zinc/90/10/50/524901050.db2.gz ZXQDMCKJNVRGKZ-JXFKEZNVSA-N 1 0 374.525 3.926 50 0 FHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2Br)C1 ZINC000156567488 525009845 /nfs/dbraw/zinc/00/98/45/525009845.db2.gz QNALOCAVXOGUEW-MGPQQGTHSA-N 1 0 353.304 3.529 50 0 FHAARO COc1cccc(CNC(=O)C[NH2+]C2(c3ccccc3)CCCCC2)c1 ZINC000079075148 525972625 /nfs/dbraw/zinc/97/26/25/525972625.db2.gz YZUFDJPZJYWINA-UHFFFAOYSA-N 1 0 352.478 3.761 50 0 FHAARO COc1cccc(C[NH2+]C[C@](O)(c2ccccc2)c2ccc(F)cc2)c1 ZINC000020365982 526022349 /nfs/dbraw/zinc/02/23/49/526022349.db2.gz LRIMENLXBBPYBL-QFIPXVFZSA-N 1 0 351.421 3.860 50 0 FHAARO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)NC(=O)NC1CCCC1 ZINC000040057186 526033793 /nfs/dbraw/zinc/03/37/93/526033793.db2.gz HLPLLRMPRMJTSC-AWEZNQCLSA-N 1 0 357.454 3.584 50 0 FHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C)c(C)c1 ZINC000247722604 526213406 /nfs/dbraw/zinc/21/34/06/526213406.db2.gz BTENQHICBYPQQY-TZIWHRDSSA-N 1 0 370.518 3.608 50 0 FHAARO C[C@H]1CCCC[C@@H]1[NH+]1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000020569875 526256006 /nfs/dbraw/zinc/25/60/06/526256006.db2.gz JJPMFBPUUZHTSC-AVRDEDQJSA-N 1 0 366.505 3.942 50 0 FHAARO Cc1nc(C)c(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)nc1C ZINC000020537688 526716355 /nfs/dbraw/zinc/71/63/55/526716355.db2.gz ZYHLOLBARITBRS-NRFANRHFSA-N 1 0 352.526 3.541 50 0 FHAARO Cc1sc2ccccc2c1C[NH+]1CCC(n2cc(C[C@@H](C)O)nn2)CC1 ZINC000019884988 526886986 /nfs/dbraw/zinc/88/69/86/526886986.db2.gz YFCPXLZNTBUOGZ-CQSZACIVSA-N 1 0 370.522 3.562 50 0 FHAARO O=C1CC2(CN1C/C=C/c1ccccc1)CC[NH+](Cc1ccncc1)CC2 ZINC000091677179 526962685 /nfs/dbraw/zinc/96/26/85/526962685.db2.gz HXSPPOVAGNCTMT-QPJJXVBHSA-N 1 0 361.489 3.610 50 0 FHAARO O=C(COc1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccs2)C1 ZINC000020538925 526982793 /nfs/dbraw/zinc/98/27/93/526982793.db2.gz FFCDMLKLMBBEGY-XLIONFOSSA-N 1 0 370.518 3.640 50 0 FHAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC000178534396 527217958 /nfs/dbraw/zinc/21/79/58/527217958.db2.gz PMAVAOUZBGLRIV-AWEZNQCLSA-N 1 0 365.408 3.569 50 0 FHAARO O=C(Cn1ccc2ccc(Cl)cc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079189268 527379675 /nfs/dbraw/zinc/37/96/75/527379675.db2.gz VEYZTPPOQABOJQ-FUHWJXTLSA-N 1 0 359.901 3.675 50 0 FHAARO Cc1nccn1CCCC(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000082127071 527391894 /nfs/dbraw/zinc/39/18/94/527391894.db2.gz KYXKZPNGZUEAAP-OAQYLSRUSA-N 1 0 368.525 3.787 50 0 FHAARO Cn1ccnc1C[NH2+]C1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000020351825 527436035 /nfs/dbraw/zinc/43/60/35/527436035.db2.gz XGUNKGWPJWHBFD-UHFFFAOYSA-N 1 0 364.468 3.985 50 0 FHAARO O=c1cc(CCc2ccccc2)nc(-c2ccc(C[NH+]3CCCC3)cc2)[nH]1 ZINC000020820572 527476767 /nfs/dbraw/zinc/47/67/67/527476767.db2.gz ZLZKSFLBETWIGF-UHFFFAOYSA-N 1 0 359.473 3.818 50 0 FHAARO CC[NH+]1CCN(c2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn32)CC1 ZINC000002228290 535743479 /nfs/dbraw/zinc/74/34/79/535743479.db2.gz LBPBENFEBOWMGF-UHFFFAOYSA-N 1 0 363.509 3.836 50 0 FHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C\c2cccc(F)c2)CC1 ZINC000096544689 536421397 /nfs/dbraw/zinc/42/13/97/536421397.db2.gz IDBAMXHGGSWDOD-YVMONPNESA-N 1 0 373.859 3.883 50 0 FHAARO C[NH+]1CCC(N(Cc2coc(-c3ccccc3)n2)Cc2ccncc2)CC1 ZINC000214997954 568039771 /nfs/dbraw/zinc/03/97/71/568039771.db2.gz SXGVHEHYGJQKJL-UHFFFAOYSA-N 1 0 362.477 3.833 50 0 FHAARO Clc1ccccc1[C@H]1CC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000215392128 568067834 /nfs/dbraw/zinc/06/78/34/568067834.db2.gz JWJXXEWOBPJXOA-AWEZNQCLSA-N 1 0 363.914 3.623 50 0 FHAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCCN(Cc2ccccn2)CC1 ZINC000215461601 568071851 /nfs/dbraw/zinc/07/18/51/568071851.db2.gz XLLKHKTYQGXBBB-UHFFFAOYSA-N 1 0 352.457 3.718 50 0 FHAARO CCCc1nc(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)cs1 ZINC000215511643 568074318 /nfs/dbraw/zinc/07/43/18/568074318.db2.gz PXEPCEATXGXYMB-KRWDZBQOSA-N 1 0 357.523 3.705 50 0 FHAARO Cc1cc(C)n(-c2cccc(C[NH+]3CCC(Cc4noc(C)n4)CC3)c2)n1 ZINC000215791599 568088998 /nfs/dbraw/zinc/08/89/98/568088998.db2.gz VCSNNRDDYJDJTN-UHFFFAOYSA-N 1 0 365.481 3.635 50 0 FHAARO c1cn(-c2ccc(CN3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)cc2)cn1 ZINC000215889755 568094202 /nfs/dbraw/zinc/09/42/02/568094202.db2.gz YBOLLIBHFHEGPP-DEOSSOPVSA-N 1 0 372.516 3.547 50 0 FHAARO CCc1nn(C)c(Cl)c1CN1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000216419877 568122683 /nfs/dbraw/zinc/12/26/83/568122683.db2.gz LEEAWFXMCUXCMK-GOSISDBHSA-N 1 0 352.954 3.578 50 0 FHAARO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccnc2)C3=O)cc1C ZINC000012314988 568135191 /nfs/dbraw/zinc/13/51/91/568135191.db2.gz GMIWVVYVGNMLBR-QHCPKHFHSA-N 1 0 363.505 3.713 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1Br)c1ccsc1 ZINC000012348935 568289022 /nfs/dbraw/zinc/28/90/22/568289022.db2.gz RLTWOAUSZUVMSH-CQSZACIVSA-N 1 0 353.285 3.543 50 0 FHAARO CN(C)c1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c2ccccc21 ZINC000220258325 568331489 /nfs/dbraw/zinc/33/14/89/568331489.db2.gz RUPDSDQDAYWPLI-UHFFFAOYSA-N 1 0 365.521 3.996 50 0 FHAARO O[C@@H](c1cc2n(n1)CCC[N@H+](C/C=C/c1ccccc1)C2)c1ccccc1 ZINC000220479676 568344317 /nfs/dbraw/zinc/34/43/17/568344317.db2.gz AHGVPGMGIARXND-GULCCPCXSA-N 1 0 359.473 3.884 50 0 FHAARO CCN1CC2(CC[NH+](Cc3ccccn3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091849392 570440896 /nfs/dbraw/zinc/44/08/96/570440896.db2.gz VHXZEYYRRQTYKB-NRFANRHFSA-N 1 0 363.505 3.700 50 0 FHAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](CCCC2CCCC2)CC1 ZINC000091893443 570441929 /nfs/dbraw/zinc/44/19/29/570441929.db2.gz NAPAAJJMEXSBOK-UHFFFAOYSA-N 1 0 370.545 3.693 50 0 FHAARO COc1cccc(C[NH+]2CCC(c3nccn3Cc3cscn3)CC2)c1 ZINC000091965400 570443525 /nfs/dbraw/zinc/44/35/25/570443525.db2.gz NWPCDXVCYPSKQQ-UHFFFAOYSA-N 1 0 368.506 3.776 50 0 FHAARO Cc1noc(CC2CC[NH+](Cc3cc(=O)c4cc(C)cc(C)c4[nH]3)CC2)n1 ZINC000091966289 570444058 /nfs/dbraw/zinc/44/40/58/570444058.db2.gz PULWZODWGNDHRR-UHFFFAOYSA-N 1 0 366.465 3.703 50 0 FHAARO CC1(C)CC(NC(=O)COc2cc(Cl)ccc2Cl)CC(C)(C)[NH2+]1 ZINC000011423871 570447878 /nfs/dbraw/zinc/44/78/78/570447878.db2.gz COUNKPJSUUQGBM-UHFFFAOYSA-N 1 0 359.297 3.798 50 0 FHAARO CC(C)n1ccnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000095352155 570451723 /nfs/dbraw/zinc/45/17/23/570451723.db2.gz SIHAZPVPZAYUHW-AWEZNQCLSA-N 1 0 367.902 3.686 50 0 FHAARO CCC[NH+]1CCC(Cc2noc(Cn3ccnc3-c3ccccc3)n2)CC1 ZINC000095352788 570452062 /nfs/dbraw/zinc/45/20/62/570452062.db2.gz QBHOVQCLZPEPSG-UHFFFAOYSA-N 1 0 365.481 3.646 50 0 FHAARO COc1ccccc1-c1ncc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000095353103 570452333 /nfs/dbraw/zinc/45/23/33/570452333.db2.gz ZDGQTZSSIKYQDF-HNNXBMFYSA-N 1 0 373.522 3.699 50 0 FHAARO O=C(CCc1ccccc1F)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095354122 570452949 /nfs/dbraw/zinc/45/29/49/570452949.db2.gz PWYJMQHCTBBWLZ-TZIWHRDSSA-N 1 0 366.480 3.881 50 0 FHAARO O=C(c1cccc(F)c1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095356279 570453121 /nfs/dbraw/zinc/45/31/21/570453121.db2.gz AWAUJYRYDXRZAK-PWRODBHTSA-N 1 0 368.427 3.667 50 0 FHAARO CC[NH+]1CCC(CC(=O)N[C@@H](c2ccncc2)c2ccc(C)cc2)CC1 ZINC000095359901 570453910 /nfs/dbraw/zinc/45/39/10/570453910.db2.gz BSDKMQOOBKDBAS-JOCHJYFZSA-N 1 0 351.494 3.718 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CC2CCCC2)C3)cc1 ZINC000095363930 570454307 /nfs/dbraw/zinc/45/43/07/570454307.db2.gz QTWHRPZBKWYRTJ-VQTJNVASSA-N 1 0 356.510 3.698 50 0 FHAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCc2cc(-c3cccc(Cl)c3)no2)C1 ZINC000095365574 570455101 /nfs/dbraw/zinc/45/51/01/570455101.db2.gz WNNIJUITYBJOGB-AWEZNQCLSA-N 1 0 361.873 3.733 50 0 FHAARO Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000095367418 570455528 /nfs/dbraw/zinc/45/55/28/570455528.db2.gz NMJDWLDACBKRCC-OAQYLSRUSA-N 1 0 366.509 3.573 50 0 FHAARO Cc1c(Cl)cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000095375163 570457189 /nfs/dbraw/zinc/45/71/89/570457189.db2.gz NQZKSWUYMGSRNG-OAHLLOKOSA-N 1 0 371.308 3.675 50 0 FHAARO c1cc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3cscn3)C4)ccc2o1 ZINC000095378603 570458463 /nfs/dbraw/zinc/45/84/63/570458463.db2.gz SHCJHUBUXFZFKY-QFBILLFUSA-N 1 0 353.491 3.986 50 0 FHAARO Cc1cccc2cc(C(=O)NCC[N@@H+]3CC[C@@H](c4ccccc4)C3)n(C)c21 ZINC000095380284 570458503 /nfs/dbraw/zinc/45/85/03/570458503.db2.gz FVEVVFAHFCHRGO-HXUWFJFHSA-N 1 0 361.489 3.706 50 0 FHAARO CC(C)c1nc(CCNC(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)cs1 ZINC000095381050 570458810 /nfs/dbraw/zinc/45/88/10/570458810.db2.gz QLDFMRORLWYWJD-QGZVFWFLSA-N 1 0 357.523 3.706 50 0 FHAARO OCc1csc(N2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000095381848 570458838 /nfs/dbraw/zinc/45/88/38/570458838.db2.gz OEKSXYGOIGGLGT-FQEVSTJZSA-N 1 0 357.523 3.518 50 0 FHAARO O=C(NC[C@H]1CCOc2ccccc2C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000095383361 570459402 /nfs/dbraw/zinc/45/94/02/570459402.db2.gz WVYVYYTTXUZDRK-IBGZPJMESA-N 1 0 364.489 3.654 50 0 FHAARO Cc1cc(Cl)ccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095383444 570459527 /nfs/dbraw/zinc/45/95/27/570459527.db2.gz LFVHXYVTEOONTK-PKOBYXMFSA-N 1 0 369.896 3.780 50 0 FHAARO Cc1nc2cc(CNC(=O)C3CC[NH+](C4CCCCC4)CC3)ccc2n1C ZINC000095384717 570459681 /nfs/dbraw/zinc/45/96/81/570459681.db2.gz FIHDGQCSTWDTCS-UHFFFAOYSA-N 1 0 368.525 3.543 50 0 FHAARO CCOc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)cc1OC ZINC000095383314 570459695 /nfs/dbraw/zinc/45/96/95/570459695.db2.gz SYNWXOCMBCDEMI-VQTJNVASSA-N 1 0 358.526 3.790 50 0 FHAARO CCC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1nccn1C ZINC000095384937 570460213 /nfs/dbraw/zinc/46/02/13/570460213.db2.gz CLECBDICSHWARQ-IBGZPJMESA-N 1 0 354.498 3.677 50 0 FHAARO Cc1noc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C2CC2)C3)n1 ZINC000095500287 570462754 /nfs/dbraw/zinc/46/27/54/570462754.db2.gz MFJWWAHZJBDFBL-LJQANCHMSA-N 1 0 366.509 3.612 50 0 FHAARO CC(C)[NH+]1CCC(CC(=O)NCc2cc(-c3ccccc3F)no2)CC1 ZINC000095506785 570464561 /nfs/dbraw/zinc/46/45/61/570464561.db2.gz PICMPPSVMOWEQG-UHFFFAOYSA-N 1 0 359.445 3.607 50 0 FHAARO O=C(Nc1cccc2ccccc21)N1CCC([NH+]2CCSCC2)CC1 ZINC000095511374 570465213 /nfs/dbraw/zinc/46/52/13/570465213.db2.gz QBHIKLWIIHGMCN-UHFFFAOYSA-N 1 0 355.507 3.885 50 0 FHAARO Clc1ccc2nc(N3CCC([NH2+]C[C@@H]4CCCOC4)CC3)sc2c1 ZINC000095509858 570465280 /nfs/dbraw/zinc/46/52/80/570465280.db2.gz GJSMFJRQJNCBIL-ZDUSSCGKSA-N 1 0 365.930 3.935 50 0 FHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc[nH]c1C ZINC000095510681 570465320 /nfs/dbraw/zinc/46/53/20/570465320.db2.gz IQOZNDDYJZAOGL-IBGZPJMESA-N 1 0 371.500 3.879 50 0 FHAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC000095518756 570466832 /nfs/dbraw/zinc/46/68/32/570466832.db2.gz STPORBDPVVFKFT-LJQANCHMSA-N 1 0 360.546 3.511 50 0 FHAARO CNc1nc(CN2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)cs1 ZINC000095518115 570466953 /nfs/dbraw/zinc/46/69/53/570466953.db2.gz QHMVWEJIZGAHSZ-KRWDZBQOSA-N 1 0 356.539 3.639 50 0 FHAARO CCc1cc(C(=O)N2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)ccn1 ZINC000095527092 570468890 /nfs/dbraw/zinc/46/88/90/570468890.db2.gz OXVFVAKODSKEEV-HXUWFJFHSA-N 1 0 363.505 3.738 50 0 FHAARO CN(Cc1noc2c1CCCC2)C(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000095530438 570470053 /nfs/dbraw/zinc/47/00/53/570470053.db2.gz XFPBQMPCCCQUCE-QFBILLFUSA-N 1 0 359.514 3.557 50 0 FHAARO Cc1cc(C)cc(C(=O)c2cccc(C[NH+]3CCC4(CC3)OCCO4)c2)c1 ZINC000002515239 570523218 /nfs/dbraw/zinc/52/32/18/570523218.db2.gz QEZPFYZPPOMVAE-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)c1ccccc1Cl ZINC000002514742 570523341 /nfs/dbraw/zinc/52/33/41/570523341.db2.gz FCAYILZGRNBEIA-UHFFFAOYSA-N 1 0 371.864 3.910 50 0 FHAARO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002853973 570538026 /nfs/dbraw/zinc/53/80/26/570538026.db2.gz KJFVTVGHGKZINN-UHFFFAOYSA-N 1 0 372.465 3.807 50 0 FHAARO c1ccc2c(c1)NCCCCCNc1ccccc1OCC[NH2+]CCO2 ZINC000004869753 570552872 /nfs/dbraw/zinc/55/28/72/570552872.db2.gz HSAPYHZDEQQWDK-UHFFFAOYSA-N 1 0 355.482 3.742 50 0 FHAARO Cc1c(C)c(C)c(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)c(C)c1C ZINC000003170068 570553579 /nfs/dbraw/zinc/55/35/79/570553579.db2.gz KFHZOZNISXPNDD-CQSZACIVSA-N 1 0 366.571 3.772 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000004123054 570577550 /nfs/dbraw/zinc/57/75/50/570577550.db2.gz LYNTUBACMVYZFK-UHFFFAOYSA-N 1 0 357.885 3.663 50 0 FHAARO Cc1ccc(S(=O)(=O)N2C[C@@H]3c4ccccc4CCN3[C@@H]2C(C)C)cc1 ZINC000033730265 570580193 /nfs/dbraw/zinc/58/01/93/570580193.db2.gz MHMRVWRMLNTTDY-RTWAWAEBSA-N 1 0 370.518 3.581 50 0 FHAARO C[C@@H]1CCc2sc3ncnc(N4CC[NH+](C5CCCC5)CC4)c3c2C1 ZINC000004284119 570583080 /nfs/dbraw/zinc/58/30/80/570583080.db2.gz DVJDEKONLBPJEJ-CQSZACIVSA-N 1 0 356.539 3.881 50 0 FHAARO Cc1cc(N2CC[NH+](C3CCCC3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000004295280 570583890 /nfs/dbraw/zinc/58/38/90/570583890.db2.gz HJNGTLTWSHKPES-UHFFFAOYSA-N 1 0 361.493 3.769 50 0 FHAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(C)cc3)nc21 ZINC000005115504 570586666 /nfs/dbraw/zinc/58/66/66/570586666.db2.gz LROXPVNZNNZAPN-UHFFFAOYSA-N 1 0 369.490 3.822 50 0 FHAARO CC[C@@H]1CSC2=[N+](c3ccccc3)[C@@](O)(c3ccc(Cl)cc3)CN21 ZINC000004528764 570595660 /nfs/dbraw/zinc/59/56/60/570595660.db2.gz RVDRUURPQNKSIT-APWZRJJASA-N 1 0 359.902 3.899 50 0 FHAARO CCCCCOCc1cc(C(=O)CC)ccc1OC[C@H](O)C[NH2+]C(C)C ZINC000004566620 570596540 /nfs/dbraw/zinc/59/65/40/570596540.db2.gz AMHXYRAWGNRCCF-LJQANCHMSA-N 1 0 365.514 3.724 50 0 FHAARO Cc1ccc(C)c(C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCCCC2)c1 ZINC000011846315 570596588 /nfs/dbraw/zinc/59/65/88/570596588.db2.gz BONRTLXYJXRVFN-NRFANRHFSA-N 1 0 353.510 3.989 50 0 FHAARO C[C@H](NC(=O)N(Cc1ccncc1)C1CC[NH+](C)CC1)c1cccs1 ZINC000426433690 570604528 /nfs/dbraw/zinc/60/45/28/570604528.db2.gz RYGDYGGUMATRQU-HNNXBMFYSA-N 1 0 358.511 3.510 50 0 FHAARO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccccc1Cl ZINC000225576844 570608956 /nfs/dbraw/zinc/60/89/56/570608956.db2.gz DSXNVSQEPCVCID-AWEZNQCLSA-N 1 0 353.919 3.679 50 0 FHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccccc2Oc2ccccc2)N1 ZINC000005317956 570623648 /nfs/dbraw/zinc/62/36/48/570623648.db2.gz OEAXNDHELDLRRI-IBGZPJMESA-N 1 0 355.401 3.925 50 0 FHAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC000253536820 570626203 /nfs/dbraw/zinc/62/62/03/570626203.db2.gz BYCVXCUTSFTTAD-UHFFFAOYSA-N 1 0 363.461 3.711 50 0 FHAARO Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CC[N@H+](C)[C@@H]([C@@H](C)O)C1 ZINC000075567702 570632443 /nfs/dbraw/zinc/63/24/43/570632443.db2.gz GTAQULXVGFJRLU-HOYKHHGWSA-N 1 0 362.517 3.972 50 0 FHAARO Cc1ccc(OCCCCNC(=O)[C@H]2CCN2Cc2ccccc2)cc1 ZINC000078875865 570634218 /nfs/dbraw/zinc/63/42/18/570634218.db2.gz BYRQISQEMFDWFL-OAQYLSRUSA-N 1 0 352.478 3.545 50 0 FHAARO C[NH+](C)CCN(C(=O)Cc1ccc(F)cc1)c1nc2ccccc2s1 ZINC000005268251 570642323 /nfs/dbraw/zinc/64/23/23/570642323.db2.gz CFVMHTKHCRRZBL-UHFFFAOYSA-N 1 0 357.454 3.573 50 0 FHAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000005296145 570646048 /nfs/dbraw/zinc/64/60/48/570646048.db2.gz QZJUSLSPHLPBGZ-FQEVSTJZSA-N 1 0 362.477 3.827 50 0 FHAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCc1cccnc1 ZINC000006715930 570652778 /nfs/dbraw/zinc/65/27/78/570652778.db2.gz MPMIFGOVOYRXFN-INIZCTEOSA-N 1 0 362.857 3.591 50 0 FHAARO COc1cccc(C[NH2+]CCO)c1OCc1ccc(Cl)cc1Cl ZINC000007003361 570658332 /nfs/dbraw/zinc/65/83/32/570658332.db2.gz STOVNWFPOIOHKV-UHFFFAOYSA-N 1 0 356.249 3.663 50 0 FHAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OCCc1ccccc1 ZINC000010314112 570699705 /nfs/dbraw/zinc/69/97/05/570699705.db2.gz IETVJFWXQJOFHT-UHFFFAOYSA-N 1 0 365.477 3.693 50 0 FHAARO CCOc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Br ZINC000010474969 570701349 /nfs/dbraw/zinc/70/13/49/570701349.db2.gz PZKCCCGEGWZSOC-UHFFFAOYSA-N 1 0 364.239 3.866 50 0 FHAARO CSc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000011753834 570706158 /nfs/dbraw/zinc/70/61/58/570706158.db2.gz PSNRVHWXISWCPZ-LJQANCHMSA-N 1 0 354.519 3.845 50 0 FHAARO CN(Cc1cccc(O)c1)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000011753778 570706304 /nfs/dbraw/zinc/70/63/04/570706304.db2.gz LALRHJZHMCQVQM-LJQANCHMSA-N 1 0 356.485 3.918 50 0 FHAARO Cc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)cc1 ZINC000011787998 570707163 /nfs/dbraw/zinc/70/71/63/570707163.db2.gz UPUDMUMRKRNAJG-LJQANCHMSA-N 1 0 368.477 3.532 50 0 FHAARO CN(C(=O)CCc1ccsc1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011840923 570709246 /nfs/dbraw/zinc/70/92/46/570709246.db2.gz WCKQZDIOVZQCGK-FQEVSTJZSA-N 1 0 356.535 3.846 50 0 FHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)oc2C)C1 ZINC000011842421 570709257 /nfs/dbraw/zinc/70/92/57/570709257.db2.gz FMWUJTIXFQDZPM-KRWDZBQOSA-N 1 0 373.472 3.870 50 0 FHAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cccc(F)c2F)c1 ZINC000011880244 570711371 /nfs/dbraw/zinc/71/13/71/570711371.db2.gz CMBAAYDRXFYFIG-QGZVFWFLSA-N 1 0 374.431 3.644 50 0 FHAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c(F)c1 ZINC000011935827 570711790 /nfs/dbraw/zinc/71/17/90/570711790.db2.gz ZQZGXBKPXAZIOI-GOSISDBHSA-N 1 0 371.460 3.625 50 0 FHAARO CCN(Cc1[nH]cnc1C)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011935766 570712048 /nfs/dbraw/zinc/71/20/48/570712048.db2.gz XNQOHQOMPRDFNJ-FQEVSTJZSA-N 1 0 370.541 3.503 50 0 FHAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)CC1 ZINC000012030846 570714464 /nfs/dbraw/zinc/71/44/64/570714464.db2.gz LMSOKYBLMSNHCO-MRXNPFEDSA-N 1 0 350.453 3.620 50 0 FHAARO Cc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc(C)c1O ZINC000012053896 570715628 /nfs/dbraw/zinc/71/56/28/570715628.db2.gz XTNAKOWNMVUYBC-JOCHJYFZSA-N 1 0 357.469 3.965 50 0 FHAARO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000012072694 570716113 /nfs/dbraw/zinc/71/61/13/570716113.db2.gz SSVZEWGHZZFBLD-ICKBMGCOSA-N 1 0 367.493 3.669 50 0 FHAARO COC(=O)c1ccc(NC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000012073944 570716408 /nfs/dbraw/zinc/71/64/08/570716408.db2.gz NNMBHXMHFLSFAM-SFHVURJKSA-N 1 0 373.497 3.782 50 0 FHAARO O[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000012241373 570730938 /nfs/dbraw/zinc/73/09/38/570730938.db2.gz JVQXXEVTTWHYDQ-HSZRJFAPSA-N 1 0 360.457 3.754 50 0 FHAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccco1 ZINC000012298267 570733263 /nfs/dbraw/zinc/73/32/63/570733263.db2.gz LDRCCMSWTJVBSB-QGZVFWFLSA-N 1 0 360.885 3.960 50 0 FHAARO O=C(c1cccc(OC2CC[NH+](Cc3ccoc3)CC2)c1)N1CCCC1 ZINC000012303902 570734248 /nfs/dbraw/zinc/73/42/48/570734248.db2.gz RMKPAAXNVOOPEK-UHFFFAOYSA-N 1 0 354.450 3.559 50 0 FHAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2ccccn2)CC1 ZINC000012308653 570735353 /nfs/dbraw/zinc/73/53/53/570735353.db2.gz CTXPRLQQNYGEQX-UHFFFAOYSA-N 1 0 352.478 3.860 50 0 FHAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)CCC(F)(F)F ZINC000012387680 570741935 /nfs/dbraw/zinc/74/19/35/570741935.db2.gz YWUOZYOUDLKWIG-UHFFFAOYSA-N 1 0 374.422 3.881 50 0 FHAARO CN(C)c1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000012449260 570747172 /nfs/dbraw/zinc/74/71/72/570747172.db2.gz MGPLITYXIGQNCC-OAQYLSRUSA-N 1 0 365.521 3.580 50 0 FHAARO Cc1cccc(N2CC[NH+](CC[C@H](C)NC(=O)C3CCCCC3)CC2)c1 ZINC000032579750 570749162 /nfs/dbraw/zinc/74/91/62/570749162.db2.gz GPJFZQZZKJFFOC-IBGZPJMESA-N 1 0 357.542 3.592 50 0 FHAARO O=C(c1cc(=O)c2ccccc2o1)N1CCC(CC[NH+]2CCCCC2)CC1 ZINC000032593658 570750492 /nfs/dbraw/zinc/75/04/92/570750492.db2.gz SZQZWMMKKBNBIB-UHFFFAOYSA-N 1 0 368.477 3.521 50 0 FHAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3ccc(F)c(OC)c3)C2)c1 ZINC000012596581 570752849 /nfs/dbraw/zinc/75/28/49/570752849.db2.gz ASMYDWGUXRBNRG-QFIPXVFZSA-N 1 0 373.468 3.660 50 0 FHAARO CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000012701697 570756880 /nfs/dbraw/zinc/75/68/80/570756880.db2.gz CBOUHSBNVLIMDE-JOCHJYFZSA-N 1 0 364.489 3.668 50 0 FHAARO CC(C)c1cc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)on1 ZINC000012748283 570759577 /nfs/dbraw/zinc/75/95/77/570759577.db2.gz VZLJDHMETBCSOO-IBGZPJMESA-N 1 0 369.509 3.967 50 0 FHAARO Cc1cccn2c(=O)cc(C[N@@H+]3CCc4sccc4[C@H]3C3CC3)nc12 ZINC000012787784 570761073 /nfs/dbraw/zinc/76/10/73/570761073.db2.gz GVCRPLUZBYXJSI-LJQANCHMSA-N 1 0 351.475 3.574 50 0 FHAARO COc1ccc(CCC(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000012836155 570765158 /nfs/dbraw/zinc/76/51/58/570765158.db2.gz MWTIMUPQHSYUMP-NRFANRHFSA-N 1 0 366.505 3.751 50 0 FHAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](CCCSC)CC1 ZINC000012836934 570765587 /nfs/dbraw/zinc/76/55/87/570765587.db2.gz OMLUYRVRBQUMKF-UHFFFAOYSA-N 1 0 365.539 3.854 50 0 FHAARO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc(Cl)cc1 ZINC000013039947 570773001 /nfs/dbraw/zinc/77/30/01/570773001.db2.gz QUDBUVCSAUXJAL-ZDUSSCGKSA-N 1 0 371.868 3.755 50 0 FHAARO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000004279520 570773201 /nfs/dbraw/zinc/77/32/01/570773201.db2.gz HGACYDIYCDKQBY-BBRMVZONSA-N 1 0 350.256 3.540 50 0 FHAARO O=C(NCc1cccc(Cl)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032862394 570823870 /nfs/dbraw/zinc/82/38/70/570823870.db2.gz MSZDJRPLNZPNJU-UHFFFAOYSA-N 1 0 357.885 3.804 50 0 FHAARO C[NH+](C)CCN(C(=O)CCOc1ccccc1)c1nc2ccccc2s1 ZINC000004585278 570851558 /nfs/dbraw/zinc/85/15/58/570851558.db2.gz QMOSMKCPHINJJG-UHFFFAOYSA-N 1 0 369.490 3.660 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000032931450 570872412 /nfs/dbraw/zinc/87/24/12/570872412.db2.gz HXDBRIUQSGBPSQ-HNNXBMFYSA-N 1 0 361.486 3.638 50 0 FHAARO CC(C)[NH+](CCSc1nn2c([nH]1)c1ccccc1nc2=S)C(C)C ZINC000032934923 570873265 /nfs/dbraw/zinc/87/32/65/570873265.db2.gz OWUOHDWZUPBOOW-UHFFFAOYSA-N 1 0 361.540 3.777 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(F)ccc1Br ZINC000046989775 570878017 /nfs/dbraw/zinc/87/80/17/570878017.db2.gz CFGZQYWWNQEZEE-ZDUSSCGKSA-N 1 0 371.294 3.973 50 0 FHAARO O=C(CCCc1cccs1)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012075967 570889037 /nfs/dbraw/zinc/88/90/37/570889037.db2.gz WNRZKTCUCLYUOJ-IBGZPJMESA-N 1 0 368.546 3.819 50 0 FHAARO Cc1ccc2nc(C)c(C(=O)N3CCN(c4cc(C)[nH+]c(C)c4)CC3)cc2c1 ZINC000020858921 570925997 /nfs/dbraw/zinc/92/59/97/570925997.db2.gz LHIKBQAWAYALRI-UHFFFAOYSA-N 1 0 374.488 3.826 50 0 FHAARO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc(F)cc3F)cc2)C[C@H](C)O1 ZINC000048275203 570941688 /nfs/dbraw/zinc/94/16/88/570941688.db2.gz AOWCKKIEGUIEPC-GASCZTMLSA-N 1 0 374.431 3.504 50 0 FHAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000048338640 570947743 /nfs/dbraw/zinc/94/77/43/570947743.db2.gz ZIUILOXWKVCCAC-GFCCVEGCSA-N 1 0 359.297 3.751 50 0 FHAARO CCC(CC)[C@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)[NH+]1CCCC1 ZINC000048371090 570953544 /nfs/dbraw/zinc/95/35/44/570953544.db2.gz YXXJJYMXSNOAKH-FQEVSTJZSA-N 1 0 374.529 3.976 50 0 FHAARO COc1ccc(CC[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1OC ZINC000024984034 570987888 /nfs/dbraw/zinc/98/78/88/570987888.db2.gz LZXVGZXWVAJCTE-UHFFFAOYSA-N 1 0 355.413 3.565 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cc(F)ccc1Br)c1ccsc1 ZINC000025331126 570994284 /nfs/dbraw/zinc/99/42/84/570994284.db2.gz KXEVCEHSNMALQT-CQSZACIVSA-N 1 0 371.275 3.682 50 0 FHAARO c1ccc(COc2ccccc2C[NH2+]C[C@@H]2COc3ccccc3O2)nc1 ZINC000025311383 570993370 /nfs/dbraw/zinc/99/33/70/570993370.db2.gz OJENBUBACYZADW-LJQANCHMSA-N 1 0 362.429 3.590 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccsc1 ZINC000025331093 570994595 /nfs/dbraw/zinc/99/45/95/570994595.db2.gz KXKSQHJTGYKTPX-OAHLLOKOSA-N 1 0 372.519 3.629 50 0 FHAARO Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1-n1cccc1 ZINC000025331825 570994632 /nfs/dbraw/zinc/99/46/32/570994632.db2.gz CQWQGWIBLWTBKZ-IBGZPJMESA-N 1 0 353.491 3.880 50 0 FHAARO C[C@@H](CCc1ccccc1)NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025358729 570995016 /nfs/dbraw/zinc/99/50/16/570995016.db2.gz FMSDKKOEGFKTPK-SIKLNZKXSA-N 1 0 350.506 3.831 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(C)c2)cc1 ZINC000026311241 571004652 /nfs/dbraw/zinc/00/46/52/571004652.db2.gz AZDZLRBJHHVDPW-QGZVFWFLSA-N 1 0 360.523 3.876 50 0 FHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc2ccccc2cc1O ZINC000027333891 571011719 /nfs/dbraw/zinc/01/17/19/571011719.db2.gz DXXJAWQSDLHVMO-GOSISDBHSA-N 1 0 350.418 3.705 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2cccc(OC)c2)[NH+]2CCCCC2)cc1 ZINC000027667710 571018487 /nfs/dbraw/zinc/01/84/87/571018487.db2.gz JIFVJIKFDTWTJY-OAQYLSRUSA-N 1 0 368.477 3.661 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000027676435 571018935 /nfs/dbraw/zinc/01/89/35/571018935.db2.gz GCBMNDRQMXXNKU-CYBMUJFWSA-N 1 0 358.385 3.679 50 0 FHAARO CCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027989940 571025008 /nfs/dbraw/zinc/02/50/08/571025008.db2.gz LJXXZBUAYCZSKR-HXUWFJFHSA-N 1 0 352.478 3.961 50 0 FHAARO Cc1c[nH+]c(C)n1Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)o1 ZINC000028047624 571026716 /nfs/dbraw/zinc/02/67/16/571026716.db2.gz XMMVQEKTPREDJS-NSHDSACASA-N 1 0 370.478 3.975 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)COc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028289286 571029544 /nfs/dbraw/zinc/02/95/44/571029544.db2.gz WCYZSIQIILXVGS-HXUWFJFHSA-N 1 0 372.484 3.921 50 0 FHAARO CCCOC(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029484393 571040033 /nfs/dbraw/zinc/04/00/33/571040033.db2.gz AMDVXFUZDIJTNN-HXUWFJFHSA-N 1 0 366.461 3.811 50 0 FHAARO CC(C)OC(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029485785 571040856 /nfs/dbraw/zinc/04/08/56/571040856.db2.gz LZVCSOPGJCELQM-HXUWFJFHSA-N 1 0 366.461 3.810 50 0 FHAARO O=C(CSCc1ccccc1)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038583913 571046384 /nfs/dbraw/zinc/04/63/84/571046384.db2.gz NYZAONRFWUPFCM-UHFFFAOYSA-N 1 0 358.507 3.541 50 0 FHAARO O=C(Cc1ccccc1Cl)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000038583323 571046427 /nfs/dbraw/zinc/04/64/27/571046427.db2.gz VFMZNDODBMJOCD-UHFFFAOYSA-N 1 0 356.897 3.911 50 0 FHAARO O=C(COc1ccccc1C[NH2+]CC1(c2ccccc2)CC1)N1CCCC1 ZINC000030637561 571048515 /nfs/dbraw/zinc/04/85/15/571048515.db2.gz GGWPTAHAPKQIRU-UHFFFAOYSA-N 1 0 364.489 3.509 50 0 FHAARO CC(C)N(C(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)CO)c1ccccc1 ZINC000225672490 571054735 /nfs/dbraw/zinc/05/47/35/571054735.db2.gz BPKGQAPHUBJWRC-OAQYLSRUSA-N 1 0 354.494 3.777 50 0 FHAARO CC(C)(C)c1ccc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000032593538 571058573 /nfs/dbraw/zinc/05/85/73/571058573.db2.gz RBSBWGLAQFCCFV-UHFFFAOYSA-N 1 0 358.526 3.559 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(F)cc1 ZINC000032622329 571059136 /nfs/dbraw/zinc/05/91/36/571059136.db2.gz HWQQVFHDDOIBQV-SFHVURJKSA-N 1 0 353.397 3.513 50 0 FHAARO CC(=O)c1cccc(OCCOCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000008764338 571060632 /nfs/dbraw/zinc/06/06/32/571060632.db2.gz KNOKMRKWVSKSJZ-JOCHJYFZSA-N 1 0 368.477 3.907 50 0 FHAARO COc1cccc(OCCOCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000008792456 571062091 /nfs/dbraw/zinc/06/20/91/571062091.db2.gz FQSIMOGMYYIYQY-OAQYLSRUSA-N 1 0 356.466 3.713 50 0 FHAARO Cc1ccc2cc(CN(C)CCC[NH+]3CCN(C)CC3)c(Cl)nc2c1C ZINC000072308464 571065498 /nfs/dbraw/zinc/06/54/98/571065498.db2.gz HHTYVPVWRQTSHJ-UHFFFAOYSA-N 1 0 374.960 3.574 50 0 FHAARO c1cn(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)cn1 ZINC000039942238 571066661 /nfs/dbraw/zinc/06/66/61/571066661.db2.gz RITMMDUKMUNLLW-UHFFFAOYSA-N 1 0 371.488 3.975 50 0 FHAARO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c(C)n1C1CC1 ZINC000039978243 571066980 /nfs/dbraw/zinc/06/69/80/571066980.db2.gz FJYZXXBPCDETRP-UHFFFAOYSA-N 1 0 366.509 3.752 50 0 FHAARO C[NH+](C)Cc1ccccc1CNC(=O)CSCc1ccc(Cl)cc1 ZINC000039983292 571066998 /nfs/dbraw/zinc/06/69/98/571066998.db2.gz ASTGWWJWSOGDBL-UHFFFAOYSA-N 1 0 362.926 3.951 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc[nH]c1=S)c1ccccc1Cl ZINC000012748291 571068534 /nfs/dbraw/zinc/06/85/34/571068534.db2.gz JUHMRDJUEDDYJT-MRXNPFEDSA-N 1 0 363.914 3.837 50 0 FHAARO COc1ccccc1[C@@H](CNc1nn2cc(C(C)(C)C)nc2s1)[NH+](C)C ZINC000040051239 571070241 /nfs/dbraw/zinc/07/02/41/571070241.db2.gz YLFWVOMSECJZON-CQSZACIVSA-N 1 0 373.526 3.812 50 0 FHAARO CCOc1ccc(C[NH2+]CCNc2ncc(Cl)cc2Cl)cc1OC ZINC000072310925 571070946 /nfs/dbraw/zinc/07/09/46/571070946.db2.gz INMHNAIKMXXFBM-UHFFFAOYSA-N 1 0 370.280 3.997 50 0 FHAARO COc1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc2c1OCO2 ZINC000247889077 571074999 /nfs/dbraw/zinc/07/49/99/571074999.db2.gz MAZLTZVQVGVUSI-WIYYLYMNSA-N 1 0 372.509 3.653 50 0 FHAARO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1OC ZINC000244817062 571075016 /nfs/dbraw/zinc/07/50/16/571075016.db2.gz STTKBBNUQHXQAG-DENIHFKCSA-N 1 0 358.526 3.933 50 0 FHAARO COc1cc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc2c1OCO2 ZINC000247889074 571075025 /nfs/dbraw/zinc/07/50/25/571075025.db2.gz MAZLTZVQVGVUSI-RXVVDRJESA-N 1 0 372.509 3.653 50 0 FHAARO CCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000040103971 571076550 /nfs/dbraw/zinc/07/65/50/571076550.db2.gz OOSLHLFMBAZABP-UHFFFAOYSA-N 1 0 366.509 3.883 50 0 FHAARO CCn1cc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)c2ccccc21 ZINC000036379394 571080231 /nfs/dbraw/zinc/08/02/31/571080231.db2.gz IBTADKFGONQBMP-HXUWFJFHSA-N 1 0 357.542 3.576 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccsc1 ZINC000040141902 571084507 /nfs/dbraw/zinc/08/45/07/571084507.db2.gz BFQAERCCXKVXIO-KRWDZBQOSA-N 1 0 374.897 3.620 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2)nc2ccccc21)C1CC1 ZINC000040152083 571086357 /nfs/dbraw/zinc/08/63/57/571086357.db2.gz BXEYOYCEZDHDJY-QFIPXVFZSA-N 1 0 359.473 3.972 50 0 FHAARO CCC[N@H+](CC(=O)NC(=O)NCC)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000040151437 571086393 /nfs/dbraw/zinc/08/63/93/571086393.db2.gz KWAWJQZPNMVHEB-NSHDSACASA-N 1 0 360.285 3.612 50 0 FHAARO Cc1cccc(COc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2)c1 ZINC000040158616 571088654 /nfs/dbraw/zinc/08/86/54/571088654.db2.gz POZOEEBDZWMVEQ-UHFFFAOYSA-N 1 0 352.478 3.532 50 0 FHAARO CCOc1cc(C[NH2+]CCCN2CCCC2=O)cc(Cl)c1OC(C)C ZINC000040729334 571093899 /nfs/dbraw/zinc/09/38/99/571093899.db2.gz XVAHBGWARJRVRR-UHFFFAOYSA-N 1 0 368.905 3.628 50 0 FHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1=Cc2cc(Cl)ccc2OC1 ZINC000009054263 571094319 /nfs/dbraw/zinc/09/43/19/571094319.db2.gz OXCNCWMGSDXSLY-KRWDZBQOSA-N 1 0 372.852 3.662 50 0 FHAARO CCOCCC[NH2+]Cc1ccccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040732783 571094357 /nfs/dbraw/zinc/09/43/57/571094357.db2.gz ZXFAYPYDRRKIKZ-UHFFFAOYSA-N 1 0 356.466 3.529 50 0 FHAARO Cc1cc(C(=O)CCC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)s1 ZINC000229629825 571094911 /nfs/dbraw/zinc/09/49/11/571094911.db2.gz JKMTWKBQYOIJFP-ZIAGYGMSSA-N 1 0 350.528 3.564 50 0 FHAARO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000229696692 571094926 /nfs/dbraw/zinc/09/49/26/571094926.db2.gz ISDDDPSIPDKRQV-WOYCLPQFSA-N 1 0 358.526 3.901 50 0 FHAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]Cc3ccncc3)c2)cc1 ZINC000040739160 571095734 /nfs/dbraw/zinc/09/57/34/571095734.db2.gz YIUMCASSSINPIL-UHFFFAOYSA-N 1 0 361.445 3.697 50 0 FHAARO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)Nc1ccnn1C1CCCC1 ZINC000069599796 571100286 /nfs/dbraw/zinc/10/02/86/571100286.db2.gz LUSZZECBRANNKG-SFHVURJKSA-N 1 0 352.482 3.816 50 0 FHAARO Cc1cccc(C[NH+]2CCC(C(=O)NCCCc3ccccc3)CC2)c1 ZINC000044909258 571104480 /nfs/dbraw/zinc/10/44/80/571104480.db2.gz IQULQMBMYXTLLU-UHFFFAOYSA-N 1 0 350.506 3.956 50 0 FHAARO C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)Nc1ccccc1CN1CCOCC1)C2 ZINC000048146814 571108073 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COc1cccc(-c2ccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000244691598 571114165 /nfs/dbraw/zinc/11/41/65/571114165.db2.gz JFSYBPZVKTYMEP-LJQANCHMSA-N 1 0 351.450 3.674 50 0 FHAARO COc1ccc(OC2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000244708187 571114602 /nfs/dbraw/zinc/11/46/02/571114602.db2.gz KPFXSMLHZRTYEY-UHFFFAOYSA-N 1 0 372.440 3.706 50 0 FHAARO Cc1cc(C(=O)Nc2ccc(NC(=O)[C@@H](C)C[N@@H+](C)C(C)C)cc2)co1 ZINC000055054368 571115648 /nfs/dbraw/zinc/11/56/48/571115648.db2.gz SKGDNUSAMVGYHH-AWEZNQCLSA-N 1 0 357.454 3.755 50 0 FHAARO COc1ccccc1CNC(=O)CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000244741895 571115823 /nfs/dbraw/zinc/11/58/23/571115823.db2.gz NYPBJLKOHXNDQM-FQEVSTJZSA-N 1 0 352.478 3.581 50 0 FHAARO CCCSc1ncc(C[NH2+]Cc2ccccc2-n2ccnc2C)cn1 ZINC000055099081 571116042 /nfs/dbraw/zinc/11/60/42/571116042.db2.gz PMQDVVUDOKPQCE-UHFFFAOYSA-N 1 0 353.495 3.763 50 0 FHAARO CCN(Cc1cccnc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055100489 571116644 /nfs/dbraw/zinc/11/66/44/571116644.db2.gz ZBPWXTYNSHDKAJ-QFIPXVFZSA-N 1 0 367.537 3.867 50 0 FHAARO Cc1nc2c(nc(C)nc2N(C)[C@@H](C[NH+]2CCCC2)c2ccccc2)o1 ZINC000055152774 571116804 /nfs/dbraw/zinc/11/68/04/571116804.db2.gz AAENOLMXBXAIDC-KRWDZBQOSA-N 1 0 351.454 3.508 50 0 FHAARO CC[C@H](C)[N@H+](Cc1c(C)n(C)n(-c2ccccc2)c1=O)Cc1cccnc1 ZINC000055182805 571117384 /nfs/dbraw/zinc/11/73/84/571117384.db2.gz HMDNBGIAWXNIPG-KRWDZBQOSA-N 1 0 364.493 3.680 50 0 FHAARO CCCC[NH+]1CCC(CNC(=O)c2ccc(C)c(NC(=O)C3CC3)c2)CC1 ZINC000055225887 571118412 /nfs/dbraw/zinc/11/84/12/571118412.db2.gz KLZSWZJUFVXCRN-UHFFFAOYSA-N 1 0 371.525 3.585 50 0 FHAARO COCC[N@H+](Cc1sccc1C)Cc1ccccc1Cn1cccn1 ZINC000055360308 571119957 /nfs/dbraw/zinc/11/99/57/571119957.db2.gz RGOPNEFULONDHS-UHFFFAOYSA-N 1 0 355.507 3.950 50 0 FHAARO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C)CC2)cccc1C(=O)NC(C)(C)C ZINC000055369692 571119989 /nfs/dbraw/zinc/11/99/89/571119989.db2.gz KSYDCNRKKSJLGX-INIZCTEOSA-N 1 0 359.514 3.582 50 0 FHAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c(F)c1 ZINC000055403522 571120669 /nfs/dbraw/zinc/12/06/69/571120669.db2.gz IHCMKOHQXLWRIA-CYBMUJFWSA-N 1 0 370.403 3.780 50 0 FHAARO O=c1cc(C[NH+]2CCC(CCc3ccccc3)CC2)nc2sccn21 ZINC000011155172 571123541 /nfs/dbraw/zinc/12/35/41/571123541.db2.gz HLUFJGWFCDOQFP-UHFFFAOYSA-N 1 0 353.491 3.601 50 0 FHAARO COc1cc(OC)cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000010281619 571125040 /nfs/dbraw/zinc/12/50/40/571125040.db2.gz CWSXOMJVHWETHI-UHFFFAOYSA-N 1 0 368.477 3.620 50 0 FHAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2csc(-c3ccco3)n2)C1 ZINC000058159819 571125957 /nfs/dbraw/zinc/12/59/57/571125957.db2.gz QKBIGEZFKKKZGH-HOCLYGCPSA-N 1 0 367.474 3.968 50 0 FHAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(COc3ccccc3)o2)C1 ZINC000058159353 571125968 /nfs/dbraw/zinc/12/59/68/571125968.db2.gz PPTDZNCJUSRYAG-QGZVFWFLSA-N 1 0 356.466 3.709 50 0 FHAARO CC(C)n1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)nc2ccccc21 ZINC000248001952 571126986 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COc1cc(C[NH2+]C[C@H](c2cccc(F)c2)N(C)C)cc(Cl)c1OC ZINC000025360355 571144971 /nfs/dbraw/zinc/14/49/71/571144971.db2.gz XYPSACOFKVOBHT-QGZVFWFLSA-N 1 0 366.864 3.889 50 0 FHAARO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000033069017 571145455 /nfs/dbraw/zinc/14/54/55/571145455.db2.gz KDAMYPSDSUTBKY-UHFFFAOYSA-N 1 0 371.506 3.875 50 0 FHAARO COCc1ccc(C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000025536813 571147936 /nfs/dbraw/zinc/14/79/36/571147936.db2.gz ZRDKQCYOMGWNII-JOCHJYFZSA-N 1 0 366.505 3.646 50 0 FHAARO CC(C)C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1cccc1 ZINC000575443202 571152416 /nfs/dbraw/zinc/15/24/16/571152416.db2.gz DFQOSOGNDHDMIX-NRFANRHFSA-N 1 0 353.510 3.856 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2)cc1 ZINC000026311137 571160897 /nfs/dbraw/zinc/16/08/97/571160897.db2.gz XFLSLYDNIUFELU-QGZVFWFLSA-N 1 0 360.523 3.876 50 0 FHAARO O=c1[nH]c(CN2CCC(c3nc4ccccc4o3)CC2)nc2ccsc21 ZINC000035334314 571166640 /nfs/dbraw/zinc/16/66/40/571166640.db2.gz AOCWXYJATVWWAB-UHFFFAOYSA-N 1 0 366.446 3.918 50 0 FHAARO CN(C)c1ncc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)s1 ZINC000072139056 571171651 /nfs/dbraw/zinc/17/16/51/571171651.db2.gz MAJWFXXPARCDMR-UHFFFAOYSA-N 1 0 351.903 3.906 50 0 FHAARO c1ccc(-c2nc3c(c(N[C@@H]4CCCc5ccccc54)n2)CC[NH2+]C3)nc1 ZINC000072132106 571171048 /nfs/dbraw/zinc/17/10/48/571171048.db2.gz BGZADDPEHPDWIU-GOSISDBHSA-N 1 0 357.461 3.674 50 0 FHAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000072140428 571172012 /nfs/dbraw/zinc/17/20/12/571172012.db2.gz LXPIZQXHEQLFRT-UHFFFAOYSA-N 1 0 351.446 3.581 50 0 FHAARO Cc1nccn1C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(C)c(C)c3)c2)C1 ZINC000072144054 571172257 /nfs/dbraw/zinc/17/22/57/571172257.db2.gz BLHFOOVZJBKCGX-FQEVSTJZSA-N 1 0 363.509 3.906 50 0 FHAARO O=C(c1ccc2ncccc2c1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072148069 571173624 /nfs/dbraw/zinc/17/36/24/571173624.db2.gz UPLNORYRTPQTDD-QFIPXVFZSA-N 1 0 371.484 3.550 50 0 FHAARO NC(=O)[C@H]([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095913200 571174368 /nfs/dbraw/zinc/17/43/68/571174368.db2.gz OHWBGKONMFYEKL-HXUWFJFHSA-N 1 0 362.498 3.524 50 0 FHAARO CCn1cc(SCC(=O)N[C@H]2CC[C@H]2[NH2+]C2CCCC2)c2ccccc21 ZINC000072154470 571175044 /nfs/dbraw/zinc/17/50/44/571175044.db2.gz NXGNXHHQLBCYFJ-MSOLQXFVSA-N 1 0 371.550 3.933 50 0 FHAARO Cc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000072163129 571175948 /nfs/dbraw/zinc/17/59/48/571175948.db2.gz XGMILALWDUPECP-OAQYLSRUSA-N 1 0 351.494 3.501 50 0 FHAARO Cc1nccn1C[C@H]1CCC[N@H+](Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000072165571 571176751 /nfs/dbraw/zinc/17/67/51/571176751.db2.gz DZICXMBPGRYONK-IBGZPJMESA-N 1 0 361.493 3.869 50 0 FHAARO CC(C)[C@@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc21)[NH+](C)C ZINC000012540572 571177387 /nfs/dbraw/zinc/17/73/87/571177387.db2.gz ILWAJFJKFLROOG-OAQYLSRUSA-N 1 0 362.477 3.613 50 0 FHAARO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000012542667 571177564 /nfs/dbraw/zinc/17/75/64/571177564.db2.gz QNDGNSSQDUOPJW-UHFFFAOYSA-N 1 0 372.472 3.653 50 0 FHAARO Cc1c2cccc(F)c2oc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000012549398 571179310 /nfs/dbraw/zinc/17/93/10/571179310.db2.gz VFNFRHRXARMYLF-UHFFFAOYSA-N 1 0 367.424 3.884 50 0 FHAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000035509790 571179559 /nfs/dbraw/zinc/17/95/59/571179559.db2.gz FOYLNKDKAPMHRX-UHFFFAOYSA-N 1 0 374.897 3.704 50 0 FHAARO Cc1cc2nc(C)cc(N[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2n1 ZINC000072410911 571192043 /nfs/dbraw/zinc/19/20/43/571192043.db2.gz YQAQXNLKZMHUBE-SFHVURJKSA-N 1 0 353.445 3.562 50 0 FHAARO c1csc(C[N@H+]2CCCN(Cc3c[nH]c(CC4CCCC4)n3)CC2)c1 ZINC000072419046 571192633 /nfs/dbraw/zinc/19/26/33/571192633.db2.gz FNUUTFRLEJUPKQ-UHFFFAOYSA-N 1 0 358.555 3.912 50 0 FHAARO CCC(CC)C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1cc2ccccc2n(C)c1=O ZINC000072422894 571193555 /nfs/dbraw/zinc/19/35/55/571193555.db2.gz YBVKSZBWBYSCKI-NRFANRHFSA-N 1 0 364.493 3.645 50 0 FHAARO CCC[C@H](C)N1CC2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)OC1=O ZINC000072422244 571193660 /nfs/dbraw/zinc/19/36/60/571193660.db2.gz NFJFGYSNBSJYCR-HNNXBMFYSA-N 1 0 372.469 3.645 50 0 FHAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)Cc2ccccc2)C1 ZINC000072432393 571195855 /nfs/dbraw/zinc/19/58/55/571195855.db2.gz SFQZMNMBCLCAEG-IBGZPJMESA-N 1 0 359.473 3.962 50 0 FHAARO Cc1cccc2cc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c(-c3cccs3)nc12 ZINC000072447307 571196954 /nfs/dbraw/zinc/19/69/54/571196954.db2.gz AQIDBYPVDGKJMY-INIZCTEOSA-N 1 0 365.502 3.969 50 0 FHAARO C[C@@H](C1CCN(C(=O)c2cccc(OC(F)F)c2)CC1)[NH+]1CCCC1 ZINC000072447694 571197129 /nfs/dbraw/zinc/19/71/29/571197129.db2.gz HKZYMLTYJLXCAM-AWEZNQCLSA-N 1 0 352.425 3.625 50 0 FHAARO Cc1cc(N[C@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2ccccc2)n1 ZINC000072468485 571198259 /nfs/dbraw/zinc/19/82/59/571198259.db2.gz BNLIAIBJTPNEJN-FQEVSTJZSA-N 1 0 359.477 3.924 50 0 FHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(-c2cnco2)cc1 ZINC000054055736 571198421 /nfs/dbraw/zinc/19/84/21/571198421.db2.gz SONXCCNDOCSXMN-QGZVFWFLSA-N 1 0 351.406 3.502 50 0 FHAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000072473665 571198696 /nfs/dbraw/zinc/19/86/96/571198696.db2.gz DYRBTDCXZAETNK-OAQYLSRUSA-N 1 0 359.473 3.968 50 0 FHAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)c1cnc(C2CC2)nc1 ZINC000072473760 571198737 /nfs/dbraw/zinc/19/87/37/571198737.db2.gz NWFMNVCUZFMXDE-UHFFFAOYSA-N 1 0 356.514 3.615 50 0 FHAARO Cc1cc(C)nc(-c2ccc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cc2)c1 ZINC000534587792 571205375 /nfs/dbraw/zinc/20/53/75/571205375.db2.gz NPZFLGCYBISGOU-UHFFFAOYSA-N 1 0 372.472 3.723 50 0 FHAARO CCOC(=O)c1ccc(-c2cccc(C(=O)N3CCCC[C@@H]3C[NH3+])c2)s1 ZINC000534646576 571206540 /nfs/dbraw/zinc/20/65/40/571206540.db2.gz LGOBYYGHGIJFEF-MRXNPFEDSA-N 1 0 372.490 3.545 50 0 FHAARO c1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3CCN3CCOCC3)cc2)nc1 ZINC000077303987 571207314 /nfs/dbraw/zinc/20/73/14/571207314.db2.gz IGAFRODUTGGJGI-JOCHJYFZSA-N 1 0 365.521 3.825 50 0 FHAARO O=C(N[C@H](c1cccs1)c1ccccc1)N1CC([NH+]2CCCCC2)C1 ZINC000534656106 571207798 /nfs/dbraw/zinc/20/77/98/571207798.db2.gz XGNIGQIHCNILED-IBGZPJMESA-N 1 0 355.507 3.717 50 0 FHAARO Nc1cc[nH+]c2ccc(-c3ccc(C(=O)N4CCC5(CCO5)CC4)cc3)cc12 ZINC000534656809 571208074 /nfs/dbraw/zinc/20/80/74/571208074.db2.gz CIHXQVDXIPWOIS-UHFFFAOYSA-N 1 0 373.456 3.879 50 0 FHAARO COc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cc1O ZINC000077354428 571208717 /nfs/dbraw/zinc/20/87/17/571208717.db2.gz QVSSFXBYRXGOSF-LJQANCHMSA-N 1 0 368.477 3.830 50 0 FHAARO Cc1nc(C)c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)s1 ZINC000077385404 571209673 /nfs/dbraw/zinc/20/96/73/571209673.db2.gz OCSDZGSVQGIEQR-UHFFFAOYSA-N 1 0 357.523 3.541 50 0 FHAARO CCCCN1C[C@]2(CCC[N@H+](Cc3c(C)nc4ccccn43)C2)CCC1=O ZINC000077390320 571209987 /nfs/dbraw/zinc/20/99/87/571209987.db2.gz IZULFWLEKDSEOF-JOCHJYFZSA-N 1 0 368.525 3.647 50 0 FHAARO c1coc([C@H](Cn2ccnc2-c2ccc3c(c2)OCO3)[NH+]2CCCC2)c1 ZINC000077452007 571212067 /nfs/dbraw/zinc/21/20/67/571212067.db2.gz POWLNKCOWMIIQH-INIZCTEOSA-N 1 0 351.406 3.709 50 0 FHAARO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000077469847 571212471 /nfs/dbraw/zinc/21/24/71/571212471.db2.gz YDZLVHFHYGPBRQ-KRWDZBQOSA-N 1 0 370.522 3.572 50 0 FHAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)C[C@H]2[NH+](C)C)cc1 ZINC000077503664 571213854 /nfs/dbraw/zinc/21/38/54/571213854.db2.gz SPMUQSDOJCCKQE-QFBILLFUSA-N 1 0 360.860 3.957 50 0 FHAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3nc(C)n4ccccc34)C2)c1 ZINC000077506124 571214290 /nfs/dbraw/zinc/21/42/90/571214290.db2.gz AZBZFONMMUDVMB-INIZCTEOSA-N 1 0 351.450 3.649 50 0 FHAARO Cc1ccc(F)c(CN2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)c1Cl ZINC000077520352 571214516 /nfs/dbraw/zinc/21/45/16/571214516.db2.gz JAOHYMAKHBFVEQ-MRXNPFEDSA-N 1 0 367.940 3.635 50 0 FHAARO O=C(NCCn1ccnc1)c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000426360501 571215319 /nfs/dbraw/zinc/21/53/19/571215319.db2.gz WRBLABWNMNKRAQ-UHFFFAOYSA-N 1 0 374.488 3.576 50 0 FHAARO CO[C@]12CC[N@H+](Cc3csc(C(C)=O)c3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426374128 571216703 /nfs/dbraw/zinc/21/67/03/571216703.db2.gz FPDHYZSWLVDTOS-YSIASYRMSA-N 1 0 363.523 3.889 50 0 FHAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(-c3ccc4c(c3)CCO4)cc1)C2 ZINC000426381398 571217433 /nfs/dbraw/zinc/21/74/33/571217433.db2.gz FDMIEJFQLBIKRI-LEWJYISDSA-N 1 0 362.473 3.597 50 0 FHAARO CCCCN(Cc1ccc(C)s1)C(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426405084 571220650 /nfs/dbraw/zinc/22/06/50/571220650.db2.gz DXLXXDHTGWVLIU-KRWDZBQOSA-N 1 0 374.554 3.549 50 0 FHAARO C[C@H](c1cccnc1)N(C)C(=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000426430988 571224663 /nfs/dbraw/zinc/22/46/63/571224663.db2.gz GNKFPLIBVYRHNB-GOSISDBHSA-N 1 0 366.509 3.664 50 0 FHAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc(-c3cccc(CO)c3)c2)C1 ZINC000426434788 571225092 /nfs/dbraw/zinc/22/50/92/571225092.db2.gz BTHMWSBWAIVACG-KRWDZBQOSA-N 1 0 364.489 3.545 50 0 FHAARO CC[C@@H](c1cccnc1)N(C)C(=O)NC1(C[NH+]2CCCC2)CCCCC1 ZINC000426445689 571226397 /nfs/dbraw/zinc/22/63/97/571226397.db2.gz WLRUSAWDXHLLSW-IBGZPJMESA-N 1 0 358.530 3.973 50 0 FHAARO COc1c(C)cc(C)cc1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082083677 571227637 /nfs/dbraw/zinc/22/76/37/571227637.db2.gz SEPVPCLCKOTFMU-UHFFFAOYSA-N 1 0 365.477 3.711 50 0 FHAARO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000426491155 571227999 /nfs/dbraw/zinc/22/79/99/571227999.db2.gz XNKWIXGJTPWNBW-LJQANCHMSA-N 1 0 354.881 3.978 50 0 FHAARO Cc1cccc(C(=O)NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)c1Cl ZINC000082157497 571229517 /nfs/dbraw/zinc/22/95/17/571229517.db2.gz OPFCHOLFUKRAFM-UHFFFAOYSA-N 1 0 374.916 3.637 50 0 FHAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)NCCOc2ccccc2)cc1 ZINC000426514887 571229546 /nfs/dbraw/zinc/22/95/46/571229546.db2.gz QUTZQZQQNLZYCV-NRFANRHFSA-N 1 0 367.493 3.674 50 0 FHAARO CN(CC[C@@H](O)c1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CCCC1 ZINC000426527649 571230140 /nfs/dbraw/zinc/23/01/40/571230140.db2.gz CVAHIRRADUBFNM-HXUWFJFHSA-N 1 0 373.541 3.550 50 0 FHAARO C[C@@H](c1ccc(-c2ncc(F)c(N3CCOCC3)n2)cc1)[NH+]1CCCCC1 ZINC000426547728 571231468 /nfs/dbraw/zinc/23/14/68/571231468.db2.gz YWESTURMLOVRCH-INIZCTEOSA-N 1 0 370.472 3.666 50 0 FHAARO O[C@H](C[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccc2cc[nH]c2c1 ZINC000033313916 571233000 /nfs/dbraw/zinc/23/30/00/571233000.db2.gz LHAROUHNJLVULR-HXUWFJFHSA-N 1 0 355.869 3.677 50 0 FHAARO O=C(c1ccc(-c2cc(Cl)ccc2O)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000426612636 571233289 /nfs/dbraw/zinc/23/32/89/571233289.db2.gz IWBKLWDTLJDILN-UHFFFAOYSA-N 1 0 370.880 3.928 50 0 FHAARO C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000426712035 571236219 /nfs/dbraw/zinc/23/62/19/571236219.db2.gz MHOQIKVHTNECRF-QFIPXVFZSA-N 1 0 361.489 3.542 50 0 FHAARO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@@H]2CCCO2)cc1 ZINC000036031260 571238919 /nfs/dbraw/zinc/23/89/19/571238919.db2.gz FXBJOEJTYRHYCE-VXKWHMMOSA-N 1 0 369.505 3.724 50 0 FHAARO CSc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccn3)C2)cc1 ZINC000091411347 571239490 /nfs/dbraw/zinc/23/94/90/571239490.db2.gz BLQVTXGGCZOSET-VQIMIIECSA-N 1 0 367.518 3.540 50 0 FHAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3noc(C4CC4)n3)CC2)C1 ZINC000091518809 571240393 /nfs/dbraw/zinc/24/03/93/571240393.db2.gz VNFDJYFTINRQPV-LJQANCHMSA-N 1 0 366.509 3.649 50 0 FHAARO CC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036098375 571240995 /nfs/dbraw/zinc/24/09/95/571240995.db2.gz KNTNIIKNFPNIOU-MJGOQNOKSA-N 1 0 373.493 3.744 50 0 FHAARO Cc1c2ccc(C)cc2oc1C(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000091636856 571241603 /nfs/dbraw/zinc/24/16/03/571241603.db2.gz FQDBDWNNFADLEA-UHFFFAOYSA-N 1 0 358.507 3.703 50 0 FHAARO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccco2)s1 ZINC000036101072 571241623 /nfs/dbraw/zinc/24/16/23/571241623.db2.gz HDWSYWYAGJPRFF-MRXNPFEDSA-N 1 0 361.463 3.822 50 0 FHAARO COCCC[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccccc1C ZINC000036100514 571241637 /nfs/dbraw/zinc/24/16/37/571241637.db2.gz BYCJIFXSYXWMKO-NRFANRHFSA-N 1 0 357.494 3.582 50 0 FHAARO Cc1c(C(=O)N2CCC([NH+]3CCSCC3)CC2)[nH]c2c1c(C)ccc2C ZINC000091655963 571241839 /nfs/dbraw/zinc/24/18/39/571241839.db2.gz JBBOEEWBXHKDJD-UHFFFAOYSA-N 1 0 371.550 3.747 50 0 FHAARO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036102927 571241827 /nfs/dbraw/zinc/24/18/27/571241827.db2.gz GRMRFPKZGMBRKA-FQEVSTJZSA-N 1 0 361.457 3.622 50 0 FHAARO O=C1CC2(CN1Cc1ccc(F)c(F)c1)CC[NH+](CC1CCCC1)CC2 ZINC000091665191 571242070 /nfs/dbraw/zinc/24/20/70/571242070.db2.gz KSBSBPUZQGGANN-UHFFFAOYSA-N 1 0 362.464 3.970 50 0 FHAARO O=C1CCC2(CC[NH+](Cc3cccs3)CC2)CN1CCc1ccncc1 ZINC000091713724 571242724 /nfs/dbraw/zinc/24/27/24/571242724.db2.gz YNFGLMSXRAZAHR-UHFFFAOYSA-N 1 0 369.534 3.590 50 0 FHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1csc(Cc3ccccc3)n1)C2 ZINC000091738360 571243189 /nfs/dbraw/zinc/24/31/89/571243189.db2.gz OOAKAIFMGQSXSU-QZTJIDSGSA-N 1 0 369.534 3.680 50 0 FHAARO Cc1c(C)n(CCc2ccccc2)c2ncnc(NCCC[NH+](C)C)c12 ZINC000006760404 571245426 /nfs/dbraw/zinc/24/54/26/571245426.db2.gz RHMNEXKZSZPUMG-UHFFFAOYSA-N 1 0 351.498 3.654 50 0 FHAARO CC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000169681704 571247143 /nfs/dbraw/zinc/24/71/43/571247143.db2.gz ZNMWFMRGPAPBGG-WIYYLYMNSA-N 1 0 357.494 3.873 50 0 FHAARO O=C(Nc1ccc(Br)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000006877285 571252124 /nfs/dbraw/zinc/25/21/24/571252124.db2.gz IMLQKBZVBXYXPA-UHFFFAOYSA-N 1 0 366.303 3.789 50 0 FHAARO CC(C)c1ccc(C[N@H+](C)C[C@@H](O)COCc2ccc3c(c2)OCO3)cc1 ZINC000007007649 571257207 /nfs/dbraw/zinc/25/72/07/571257207.db2.gz JDRRXDDODYDZGZ-HXUWFJFHSA-N 1 0 371.477 3.548 50 0 FHAARO Cn1c2ncccc2nc1[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000065285301 571260045 /nfs/dbraw/zinc/26/00/45/571260045.db2.gz IQBUZIUDVQJYDL-AWEZNQCLSA-N 1 0 360.383 3.977 50 0 FHAARO CCOc1ccccc1C[N@@H+]1CC[C@H](c2nc3cccnc3n2CC)C1 ZINC000065285346 571260084 /nfs/dbraw/zinc/26/00/84/571260084.db2.gz YAPJWCBHOPLGKT-KRWDZBQOSA-N 1 0 350.466 3.839 50 0 FHAARO CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000170091106 571262206 /nfs/dbraw/zinc/26/22/06/571262206.db2.gz RJRQRFIALCMIOS-CQSZACIVSA-N 1 0 371.930 3.852 50 0 FHAARO CSc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000007266930 571263615 /nfs/dbraw/zinc/26/36/15/571263615.db2.gz WGFZEBCCQNOPOO-CYBMUJFWSA-N 1 0 358.463 3.596 50 0 FHAARO CC(C)[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc2ccccc2o1 ZINC000170591731 571266094 /nfs/dbraw/zinc/26/60/94/571266094.db2.gz XQXVLTLYUAFKIO-FQEVSTJZSA-N 1 0 372.490 3.698 50 0 FHAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(C)c1 ZINC000170615192 571268231 /nfs/dbraw/zinc/26/82/31/571268231.db2.gz VQVQSHDFGHPLMJ-IBGZPJMESA-N 1 0 353.466 3.998 50 0 FHAARO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(NC)nc3ccccc32)c1 ZINC000076017656 571273678 /nfs/dbraw/zinc/27/36/78/571273678.db2.gz LHRDBMBQQQGPMJ-UHFFFAOYSA-N 1 0 362.477 3.658 50 0 FHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2N(C)C)C1 ZINC000054406196 571275607 /nfs/dbraw/zinc/27/56/07/571275607.db2.gz VKBNHXRZQXTXJM-AEFFLSMTSA-N 1 0 352.482 3.710 50 0 FHAARO CCN(CC(=O)NCc1cccs1)Cc1ccc(Br)cc1 ZINC000007682083 571285664 /nfs/dbraw/zinc/28/56/64/571285664.db2.gz AVBUWCFZAAEQDS-UHFFFAOYSA-N 1 0 367.312 3.649 50 0 FHAARO Cn1c(C[N@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)nc2cc(C(F)(F)F)ccc21 ZINC000252516503 571282043 /nfs/dbraw/zinc/28/20/43/571282043.db2.gz SWDJSCRRPAZNNT-JCURWCKSSA-N 1 0 367.415 3.837 50 0 FHAARO CCOC(=O)C1CC[NH+](Cc2cncc(-c3ccc(OCC)cc3)c2)CC1 ZINC000037553881 571287894 /nfs/dbraw/zinc/28/78/94/571287894.db2.gz XEWWGNDOIDCEFG-UHFFFAOYSA-N 1 0 368.477 3.922 50 0 FHAARO COc1ccc(C[NH+]2CCC(N(C(C)=O)c3cccc(OC)c3)CC2)cc1 ZINC000037570653 571288140 /nfs/dbraw/zinc/28/81/40/571288140.db2.gz WEXJUWYIENRPLW-UHFFFAOYSA-N 1 0 368.477 3.721 50 0 FHAARO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000154724032 571289639 /nfs/dbraw/zinc/28/96/39/571289639.db2.gz DPEANPUTJRACCA-IYBDPMFKSA-N 1 0 373.493 3.873 50 0 FHAARO COc1ccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000007922171 571294336 /nfs/dbraw/zinc/29/43/36/571294336.db2.gz BDJQJXHSJFEXNM-ZDUSSCGKSA-N 1 0 355.463 3.936 50 0 FHAARO O=C1O[C@@H](CC[NH+]2CCCCC2)OCC1(c1ccccc1)c1ccccc1 ZINC000019865961 571308258 /nfs/dbraw/zinc/30/82/58/571308258.db2.gz REVGCLKVCSZUFR-NRFANRHFSA-N 1 0 365.473 3.748 50 0 FHAARO COc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c2ccccc12 ZINC000253419501 571312890 /nfs/dbraw/zinc/31/28/90/571312890.db2.gz YUXKLFNYKDSWAY-UHFFFAOYSA-N 1 0 352.478 3.939 50 0 FHAARO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000027570374 571317740 /nfs/dbraw/zinc/31/77/40/571317740.db2.gz HNEHWWHRIBAYFK-QZTJIDSGSA-N 1 0 365.477 3.673 50 0 FHAARO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000080027614 571328597 /nfs/dbraw/zinc/32/85/97/571328597.db2.gz OOGJIGNGPCFJTA-GJZGRUSLSA-N 1 0 355.482 3.569 50 0 FHAARO CC(C)(C)[C@@H](CCO)[NH2+]Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000095466599 571330453 /nfs/dbraw/zinc/33/04/53/571330453.db2.gz JSOZPBJEFZLLCZ-CYBMUJFWSA-N 1 0 357.376 3.642 50 0 FHAARO O=C(c1ccoc1)N1CCC([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000095967466 571333212 /nfs/dbraw/zinc/33/32/12/571333212.db2.gz XOFUTPNABFQAIS-NRFANRHFSA-N 1 0 361.445 3.658 50 0 FHAARO COC(=O)CCCN1CCC([NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000095986441 571333481 /nfs/dbraw/zinc/33/34/81/571333481.db2.gz NKLNROKCUHYQHU-IRLDBZIGSA-N 1 0 372.553 3.795 50 0 FHAARO Cc1nc(COc2ccc(CN3CC[N@@H+](C)C[C@@H]3C(C)C)cc2)cs1 ZINC000096003692 571333774 /nfs/dbraw/zinc/33/37/74/571333774.db2.gz KFMPBRJAUNHGES-HXUWFJFHSA-N 1 0 359.539 3.803 50 0 FHAARO CCCSc1ccccc1N1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000096026935 571334081 /nfs/dbraw/zinc/33/40/81/571334081.db2.gz WPKYHAKHCRBSMH-FQEVSTJZSA-N 1 0 370.562 3.914 50 0 FHAARO Cc1ccsc1C(=O)Nc1nc2ccccc2n1CC[NH+]1CCCCC1 ZINC000028305483 571339019 /nfs/dbraw/zinc/33/90/19/571339019.db2.gz ZMGOHFQBPYNZKI-UHFFFAOYSA-N 1 0 368.506 3.566 50 0 FHAARO CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC2CCCC2)cc1 ZINC000028877792 571341268 /nfs/dbraw/zinc/34/12/68/571341268.db2.gz AIJWKZCRCIIXAR-CVEARBPZSA-N 1 0 359.514 3.693 50 0 FHAARO CC(C)[C@@H](CNC(=O)c1cccnc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000029173734 571342245 /nfs/dbraw/zinc/34/22/45/571342245.db2.gz VUDNZUREYDJDIA-GOSISDBHSA-N 1 0 357.885 3.548 50 0 FHAARO Cc1cc([C@@H]2CCCN2C(=O)C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000057154920 571342415 /nfs/dbraw/zinc/34/24/15/571342415.db2.gz WROJPDKCDJUCMI-FQEVSTJZSA-N 1 0 353.466 3.559 50 0 FHAARO Cc1csc2nc(C[NH2+][C@@H](c3ccc(Cl)cc3)C3CC3)cc(=O)n12 ZINC000057157869 571342445 /nfs/dbraw/zinc/34/24/45/571342445.db2.gz KDQZCRFAWPJXCQ-QGZVFWFLSA-N 1 0 359.882 3.959 50 0 FHAARO COc1ccc([C@H](C[NH2+]Cc2ccccc2Cl)N2CCOCC2)cc1 ZINC000057681586 571345067 /nfs/dbraw/zinc/34/50/67/571345067.db2.gz YJAJBGANORDIEV-FQEVSTJZSA-N 1 0 360.885 3.512 50 0 FHAARO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000057919547 571346123 /nfs/dbraw/zinc/34/61/23/571346123.db2.gz GOSQFACWEPPIDR-MRXNPFEDSA-N 1 0 362.477 3.743 50 0 FHAARO CC(=O)Nc1ccc2nc(C[N@H+](CC3CCC3)C[C@@H]3CCCO3)ccc2c1 ZINC000670445412 571350157 /nfs/dbraw/zinc/35/01/57/571350157.db2.gz AWMFXEBGLBJGTM-NRFANRHFSA-N 1 0 367.493 3.974 50 0 FHAARO CSc1ccc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)cc1 ZINC000670448487 571351657 /nfs/dbraw/zinc/35/16/57/571351657.db2.gz PYJQNGPJQQDKQQ-SFHVURJKSA-N 1 0 354.519 3.936 50 0 FHAARO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N(Cc2ccsc2)Cc2cccnc2)C1 ZINC000670452414 571352747 /nfs/dbraw/zinc/35/27/47/571352747.db2.gz MYZQFPSAINBHEZ-SFHVURJKSA-N 1 0 372.538 3.728 50 0 FHAARO Cc1ccc([C@@]2(CC(=O)NCCC[NH+](C)C)CCO[C@H](C(C)C)C2)cc1 ZINC000004084545 571354923 /nfs/dbraw/zinc/35/49/23/571354923.db2.gz VPRGUMSCKKEJOK-UNMCSNQZSA-N 1 0 360.542 3.526 50 0 biogenic FHAARO CC[N@@H+]1CCC[C@H]1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000670458900 571356130 /nfs/dbraw/zinc/35/61/30/571356130.db2.gz DEORPGCFIBDTTB-HNNXBMFYSA-N 1 0 357.454 3.748 50 0 FHAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)COc2ccccc2Cl)C1 ZINC000670460375 571356590 /nfs/dbraw/zinc/35/65/90/571356590.db2.gz AHRHKMHIQSUZLX-KRWDZBQOSA-N 1 0 372.896 3.633 50 0 FHAARO CC1(C)C(c2ccccc2)[N+](=O)[C@H](c2ccc(Br)cc2)N1O ZINC000004189865 571356665 /nfs/dbraw/zinc/35/66/65/571356665.db2.gz BRIRUCHOQHCGLD-INIZCTEOSA-N 1 0 361.239 3.931 50 0 FHAARO C[NH+]1CCC2(CC1)C[C@H](NC(=S)Nc1ccccc1)c1ccccc1O2 ZINC000007982598 571358047 /nfs/dbraw/zinc/35/80/47/571358047.db2.gz MULGBFNWQUKCJI-SFHVURJKSA-N 1 0 367.518 3.961 50 0 FHAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000008003445 571358363 /nfs/dbraw/zinc/35/83/63/571358363.db2.gz OAGPCIIKWHOCFZ-JOCHJYFZSA-N 1 0 365.477 3.739 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cncn1-c1ccccc1 ZINC000008157363 571359595 /nfs/dbraw/zinc/35/95/95/571359595.db2.gz NDDBWNZHBPOLQP-UHFFFAOYSA-N 1 0 374.488 3.788 50 0 FHAARO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657923409 939007488 /nfs/dbraw/zinc/00/74/88/939007488.db2.gz UGIQSDONIOUCNF-WITVHBPWSA-N 1 0 371.431 3.827 50 0 FHAARO CC(=Cc1cc(Cl)ccc1O)C[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000023368271 940284186 /nfs/dbraw/zinc/28/41/86/940284186.db2.gz NOTBCNACYUBRQZ-XETPBLJFSA-N 1 0 373.884 3.720 50 0 FHAARO Cc1nccn1-c1ccc(N2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000023505456 940489523 /nfs/dbraw/zinc/48/95/23/940489523.db2.gz QBMLWWDOTNSWRV-UHFFFAOYSA-N 1 0 372.516 3.907 50 0 FHAARO Cc1cnc(C[C@H]2CCCN(C(=O)C3CC3)C2)n1Cc1ccc(F)cc1 ZINC000581816677 940621705 /nfs/dbraw/zinc/62/17/05/940621705.db2.gz KDUQWUJDMWVSOP-QGZVFWFLSA-N 1 0 355.457 3.570 50 0 FHAARO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3C(C)(C)O)cs2)c1OC ZINC000136251731 942019451 /nfs/dbraw/zinc/01/94/51/942019451.db2.gz XYWCLUSHEINZOS-MRXNPFEDSA-N 1 0 362.495 3.563 50 0 FHAARO c1ccc(CN2CCC([N@H+]3C[C@H](OCC4CC4)C34CCCCC4)CC2)nc1 ZINC000257184260 942582016 /nfs/dbraw/zinc/58/20/16/942582016.db2.gz UEKAEISVMQHLHS-QFIPXVFZSA-N 1 0 369.553 3.860 50 0 FHAARO CCc1ccc(NC(=O)[C@@H]2OCCN(C3CC3)[C@H]2c2ccccc2)cc1 ZINC000675011924 943609156 /nfs/dbraw/zinc/60/91/56/943609156.db2.gz XXJXYCHDUXFQRS-LEWJYISDSA-N 1 0 350.462 3.792 50 0 FHAARO Cc1nnc([C@H]2CC[N@H+](CC3CCCCC3)CCN2Cc2ccccc2)[nH]1 ZINC000675012703 943611674 /nfs/dbraw/zinc/61/16/74/943611674.db2.gz CCOVRRWSEGLWBU-OAQYLSRUSA-N 1 0 367.541 3.942 50 0 FHAARO Cc1nnc([C@H]2CC[N@H+](Cc3ccccc3)CCN2Cc2ccccc2)[nH]1 ZINC000675013317 943614503 /nfs/dbraw/zinc/61/45/03/943614503.db2.gz JHBUUKDMGFOEBW-OAQYLSRUSA-N 1 0 361.493 3.562 50 0 FHAARO Fc1cnccc1C[N@@H+]1CCC[C@H]1CCc1noc(-c2ccccc2)n1 ZINC000675019203 943626924 /nfs/dbraw/zinc/62/69/24/943626924.db2.gz CUICOTJHYRHGNS-KRWDZBQOSA-N 1 0 352.413 3.868 50 0 FHAARO CC(C)(C)C[N@@H+]1CCN(Cc2ccccc2-c2ccco2)C[C@H]1CCO ZINC000104385071 945857763 /nfs/dbraw/zinc/85/77/63/945857763.db2.gz MYCGMZPQQYWQBE-LJQANCHMSA-N 1 0 356.510 3.861 50 0 FHAARO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2c(F)cc(C)cc2Cl)C1 ZINC000888100359 948439542 /nfs/dbraw/zinc/43/95/42/948439542.db2.gz DHEKVWWCGVYJRG-UHOFOFEASA-N 1 0 369.868 3.551 50 0 FHAARO Cc1nnc(C[NH2+]C2CCN(c3cccc(-c4cccc(C)c4)c3)CC2)[nH]1 ZINC000107389111 948494777 /nfs/dbraw/zinc/49/47/77/948494777.db2.gz IIDZNCJJIWVDPI-UHFFFAOYSA-N 1 0 361.493 3.847 50 0 FHAARO CC(C)C[C@H](C(=O)Nc1ccc2c(c1)ncn2CC[NH+](C)C)n1cccc1 ZINC000263588339 210223339 /nfs/dbraw/zinc/22/33/39/210223339.db2.gz SAYQIBJEAISKGW-HXUWFJFHSA-N 1 0 367.497 3.625 50 0 FHAARO CC1(C)CC(NC(=O)C[C@H](c2ccsc2)n2cccc2)CC(C)(C)[NH2+]1 ZINC000263588780 210222467 /nfs/dbraw/zinc/22/24/67/210222467.db2.gz YGCYJLRARFHXOR-QGZVFWFLSA-N 1 0 359.539 3.955 50 0 FHAARO COc1ccc2[nH]c(C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2c1 ZINC000253403061 210215803 /nfs/dbraw/zinc/21/58/03/210215803.db2.gz GWXLEWZHYUCFIN-MGPUTAFESA-N 1 0 355.482 3.513 50 0 FHAARO COc1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)ccc1OCc1c(C)noc1C ZINC000030908430 210168289 /nfs/dbraw/zinc/16/82/89/210168289.db2.gz GIKJWFLRUICSBJ-KBXCAEBGSA-N 1 0 360.454 3.536 50 0 FHAARO O[C@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc(-c2ccncc2)cs1 ZINC000004916069 210080978 /nfs/dbraw/zinc/08/09/78/210080978.db2.gz ZKEVILHGHHTJSI-ABAIWWIYSA-N 1 0 368.384 3.822 50 0 FHAARO CCc1oc(C(=O)NCc2nc3ccccc3s2)cc1C[NH+]1CCCC1 ZINC000299795083 210035679 /nfs/dbraw/zinc/03/56/79/210035679.db2.gz KQHVJTHMFVPENX-UHFFFAOYSA-N 1 0 369.490 3.978 50 0 FHAARO O=C1C[C@@H](C[N@H+]2CC=C(c3ccc(F)cc3)CC2)CN1c1ccccc1 ZINC000299795314 210035189 /nfs/dbraw/zinc/03/51/89/210035189.db2.gz KEQXUOAKYSYYCX-KRWDZBQOSA-N 1 0 350.437 3.968 50 0 FHAARO Cc1cc(CN(C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccn1 ZINC000299793700 210033022 /nfs/dbraw/zinc/03/30/22/210033022.db2.gz HUXOTLWDVAEENF-UHFFFAOYSA-N 1 0 368.481 3.527 50 0 FHAARO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(-c3ccc(C(F)(F)F)cn3)c2)C1 ZINC000299797274 210037110 /nfs/dbraw/zinc/03/71/10/210037110.db2.gz POHHCKLUIKZQCP-INIZCTEOSA-N 1 0 363.383 3.544 50 0 FHAARO Cc1c[nH]c(CN(C)C(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3C)c2)n1 ZINC000299788444 210031833 /nfs/dbraw/zinc/03/18/33/210031833.db2.gz SNLIPFIQHGZWFP-MRXNPFEDSA-N 1 0 355.486 3.756 50 0 FHAARO Cc1cc2cccc(NC(=O)NC3CC[NH+](Cc4ccccn4)CC3)c2o1 ZINC000299787487 210028936 /nfs/dbraw/zinc/02/89/36/210028936.db2.gz MKKQLUVHCKQOMA-UHFFFAOYSA-N 1 0 364.449 3.922 50 0 FHAARO COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)s1 ZINC000299782653 210026471 /nfs/dbraw/zinc/02/64/71/210026471.db2.gz FVEHJIYFNVAJSL-CQSZACIVSA-N 1 0 370.478 3.890 50 0 FHAARO O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000299777004 210023299 /nfs/dbraw/zinc/02/32/99/210023299.db2.gz GRIKWLNREHMFNK-OAHLLOKOSA-N 1 0 354.416 3.629 50 0 FHAARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1cccc(-c3cccc(F)c3)c1)C2 ZINC000299756100 210008056 /nfs/dbraw/zinc/00/80/56/210008056.db2.gz BSCNYLKIFFDIRD-KXTWHKPSSA-N 1 0 352.453 3.905 50 0 FHAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc(Cl)c2ccccc12 ZINC000299760063 210011749 /nfs/dbraw/zinc/01/17/49/210011749.db2.gz UUFOQQDTNOUANT-ROUUACIJSA-N 1 0 361.873 3.722 50 0 FHAARO COc1cccc(CCC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C)C2)c1 ZINC000299759386 210011760 /nfs/dbraw/zinc/01/17/60/210011760.db2.gz GYKDOLVZGTTXKX-FQEVSTJZSA-N 1 0 366.505 3.575 50 0 FHAARO CCn1c(C)cc2cc(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)ccc21 ZINC000299758739 210011176 /nfs/dbraw/zinc/01/11/76/210011176.db2.gz LJOYIEXNPUJXHR-IBGZPJMESA-N 1 0 372.513 3.544 50 0 FHAARO O=C(Cc1cccc(C(F)(F)F)c1)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000223369813 222776701 /nfs/dbraw/zinc/77/67/01/222776701.db2.gz YZEZEQFXLKVWEG-UHFFFAOYSA-N 1 0 354.416 3.630 50 0 FHAARO Cc1ccccc1-n1cc(CNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(C3CC3)n2)cn1 ZINC000244723719 222933231 /nfs/dbraw/zinc/93/32/31/222933231.db2.gz MFYBYBHUCWHJLZ-HDICACEKSA-N 1 0 374.492 3.665 50 0 FHAARO C[C@H](Cc1cnccn1)N(C)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000244764139 222935818 /nfs/dbraw/zinc/93/58/18/222935818.db2.gz PBZYNXNMYDUUPI-GOSISDBHSA-N 1 0 366.509 3.556 50 0 FHAARO CCCCN(CCC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000248083417 222961121 /nfs/dbraw/zinc/96/11/21/222961121.db2.gz QWHRVXDVEANYIC-SFHVURJKSA-N 1 0 370.541 3.824 50 0 FHAARO Cn1cc(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000004901949 219621842 /nfs/dbraw/zinc/62/18/42/219621842.db2.gz SHZAFQZSXJTNRG-UHFFFAOYSA-N 1 0 361.489 3.502 50 0 FHAARO COc1cccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C)CC2)c1 ZINC000005254032 219665486 /nfs/dbraw/zinc/66/54/86/219665486.db2.gz SYYKMDWJAUSQSW-HXUWFJFHSA-N 1 0 363.461 3.661 50 0 FHAARO O=C(NCc1cc(F)cc(F)c1)C1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000064818048 212045596 /nfs/dbraw/zinc/04/55/96/212045596.db2.gz BCXMMYGVJLHTDO-UHFFFAOYSA-N 1 0 360.379 3.552 50 0 FHAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2ccccc2)CC1 ZINC000012713520 220020939 /nfs/dbraw/zinc/02/09/39/220020939.db2.gz JRDUWARWLDWMIE-UHFFFAOYSA-N 1 0 366.505 3.722 50 0 FHAARO CCn1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3)c(C)n1 ZINC000012708620 220020197 /nfs/dbraw/zinc/02/01/97/220020197.db2.gz WHAVWWFEBFCHHI-QFIPXVFZSA-N 1 0 370.516 3.839 50 0 FHAARO O=C(Nc1ccc(-c2nccs2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058393822 212007895 /nfs/dbraw/zinc/00/78/95/212007895.db2.gz QDKLHKQGDDFBAS-KRWDZBQOSA-N 1 0 356.495 3.902 50 0 FHAARO O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000058414236 212009092 /nfs/dbraw/zinc/00/90/92/212009092.db2.gz PKYZLTBEXDNSFI-LJQANCHMSA-N 1 0 373.880 3.675 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1 ZINC000058392058 212008351 /nfs/dbraw/zinc/00/83/51/212008351.db2.gz XKCHHXMFCOSZDL-FQEVSTJZSA-N 1 0 353.441 3.659 50 0 FHAARO Cc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1C ZINC000058280803 212001849 /nfs/dbraw/zinc/00/18/49/212001849.db2.gz DROIXBGGLSXIJB-UHFFFAOYSA-N 1 0 370.518 3.870 50 0 FHAARO COc1ccc(CNC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000057363052 211971944 /nfs/dbraw/zinc/97/19/44/211971944.db2.gz WIOVCINFKDFXGD-UHFFFAOYSA-N 1 0 360.457 3.691 50 0 FHAARO CCC[NH+]1CCC(NC(=O)c2cc(Br)c(CC)s2)CC1 ZINC000013326644 220063734 /nfs/dbraw/zinc/06/37/34/220063734.db2.gz PECAASSLISOHRM-UHFFFAOYSA-N 1 0 359.333 3.677 50 0 FHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1Br ZINC000015831620 220166243 /nfs/dbraw/zinc/16/62/43/220166243.db2.gz OQPSMWNZTPFONV-OAHLLOKOSA-N 1 0 363.255 3.609 50 0 FHAARO O=C(NC1CC1)[C@H](NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1 ZINC000024518857 211407465 /nfs/dbraw/zinc/40/74/65/211407465.db2.gz XBOJVCVYPUPVFB-OAQYLSRUSA-N 1 0 369.553 3.785 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)c(Cl)[nH]1 ZINC000023612950 211391496 /nfs/dbraw/zinc/39/14/96/211391496.db2.gz SBJIRZXIKVMYAY-UHFFFAOYSA-N 1 0 352.265 3.716 50 0 FHAARO Cc1nn(C)c(Cl)c1CN(C)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000023373880 211386756 /nfs/dbraw/zinc/38/67/56/211386756.db2.gz JXCNRWBUVIOABZ-INIZCTEOSA-N 1 0 364.896 3.617 50 0 FHAARO C[C@H]([NH2+]Cc1c(C(=O)N2CCCCC2)nc2sccn12)c1cccs1 ZINC000023310340 211385340 /nfs/dbraw/zinc/38/53/40/211385340.db2.gz GEILZHMRLYUJFY-ZDUSSCGKSA-N 1 0 374.535 3.934 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000022654569 211359444 /nfs/dbraw/zinc/35/94/44/211359444.db2.gz HYPJOSRXFCVVKX-UHFFFAOYSA-N 1 0 362.477 3.815 50 0 FHAARO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2F)CCCCCC1 ZINC000023043725 211373840 /nfs/dbraw/zinc/37/38/40/211373840.db2.gz QRYJVPSCUUMGSY-UHFFFAOYSA-N 1 0 371.294 3.973 50 0 FHAARO Cc1ccc2c(CN3CCC[N@H+](Cc4ccccc4)CC3)cc(=O)oc2c1 ZINC000023043122 211373273 /nfs/dbraw/zinc/37/32/73/211373273.db2.gz ICTUQVZPTQBYTG-UHFFFAOYSA-N 1 0 362.473 3.809 50 0 FHAARO CCOc1cc(C[NH2+]Cc2ccccc2C)ccc1O[C@H](C)C(=O)N(C)C ZINC000022782223 211363903 /nfs/dbraw/zinc/36/39/03/211363903.db2.gz ZBRVBNPUKXMEJP-QGZVFWFLSA-N 1 0 370.493 3.539 50 0 FHAARO COc1ccc([C@H](CNC(=O)Cc2coc3cc(C)ccc23)[NH+](C)C)cc1 ZINC000022439083 211350832 /nfs/dbraw/zinc/35/08/32/211350832.db2.gz NMDYNPQKOZNQOA-FQEVSTJZSA-N 1 0 366.461 3.711 50 0 FHAARO CC(=O)c1ccc(NC(=O)CC[N@H+](C)CCOc2ccc(Cl)cc2)cc1 ZINC000022198882 211341044 /nfs/dbraw/zinc/34/10/44/211341044.db2.gz AEXYXYNFBZVDCU-UHFFFAOYSA-N 1 0 374.868 3.882 50 0 FHAARO COc1cccc(-c2noc(NC3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000021631139 211319322 /nfs/dbraw/zinc/31/93/22/211319322.db2.gz BOWJKCKUNJRBFX-UHFFFAOYSA-N 1 0 364.449 3.822 50 0 FHAARO Cc1ccc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)cc1C ZINC000021170549 211309266 /nfs/dbraw/zinc/30/92/66/211309266.db2.gz KGKHXIUGGJNXHP-FQEVSTJZSA-N 1 0 358.526 3.939 50 0 FHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1c[nH]c2ccc(C)cc2c1=O ZINC000021148800 211309400 /nfs/dbraw/zinc/30/94/00/211309400.db2.gz MUWIRVSEYOMSID-MRXNPFEDSA-N 1 0 370.497 3.613 50 0 FHAARO CC[NH+](CC)CCNc1cc(C)nc2c(-c3ccc(F)cc3)c(C)nn21 ZINC000021798798 211324163 /nfs/dbraw/zinc/32/41/63/211324163.db2.gz DMVXWDLHQBMQSE-UHFFFAOYSA-N 1 0 355.461 3.906 50 0 FHAARO C[C@H]1C[C@H](C)C[NH+](CC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1 ZINC000021718291 211323253 /nfs/dbraw/zinc/32/32/53/211323253.db2.gz FXRSQCXMYNWKDR-HOTGVXAUSA-N 1 0 373.497 3.637 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CC2CCN(C(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000021718293 211322914 /nfs/dbraw/zinc/32/29/14/211322914.db2.gz NYMDMDOHZZHDDL-IAGOWNOFSA-N 1 0 361.505 3.725 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1 ZINC000021718288 211322226 /nfs/dbraw/zinc/32/22/26/211322226.db2.gz FXRSQCXMYNWKDR-IYBDPMFKSA-N 1 0 373.497 3.637 50 0 FHAARO CCc1ncc(C[NH2+][C@@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)cn1 ZINC000020999212 211304218 /nfs/dbraw/zinc/30/42/18/211304218.db2.gz YRYBYYAKLBGCQI-JOCHJYFZSA-N 1 0 366.553 3.992 50 0 FHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000020653919 211292023 /nfs/dbraw/zinc/29/20/23/211292023.db2.gz ZKPJVAJUSUQIBB-QGZVFWFLSA-N 1 0 369.415 3.693 50 0 FHAARO COc1ccc([C@](O)(C(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440750 211279116 /nfs/dbraw/zinc/27/91/16/211279116.db2.gz CELUSTIGOWCGPD-DHIUTWEWSA-N 1 0 369.505 3.655 50 0 FHAARO C[C@H]1C[NH+](C2CCN(Cc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000019939118 211264122 /nfs/dbraw/zinc/26/41/22/211264122.db2.gz VXNFHRYPUZHERA-GJZGRUSLSA-N 1 0 367.331 3.523 50 0 FHAARO COc1cc(OC)c(C[NH2+]CCc2ccc(F)cc2)cc1Br ZINC000019720890 211250938 /nfs/dbraw/zinc/25/09/38/211250938.db2.gz ADEUVNMANYWRAI-UHFFFAOYSA-N 1 0 368.246 3.938 50 0 FHAARO CC(C)CC[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CCO ZINC000019842199 211260046 /nfs/dbraw/zinc/26/00/46/211260046.db2.gz GBCWBDOTRGFMKJ-SFHVURJKSA-N 1 0 358.448 3.620 50 0 FHAARO CCCCC[N@@H+]1CCC[C@@H]1c1ccc(C(=O)N2CCc3n[nH]cc3C2)s1 ZINC000019744875 211253115 /nfs/dbraw/zinc/25/31/15/211253115.db2.gz LDDHSFGZDDJCEQ-QGZVFWFLSA-N 1 0 372.538 3.997 50 0 FHAARO CC1(C)Cc2c3c(ncn4nc(-c5cccnc5)nc34)sc2C(C)(C)[NH2+]1 ZINC000019593637 211240049 /nfs/dbraw/zinc/24/00/49/211240049.db2.gz KDTGXGOFUMVZJR-UHFFFAOYSA-N 1 0 364.478 3.560 50 0 FHAARO COc1ccc(CC[NH2+]Cc2cc(Br)ccc2OC)cc1 ZINC000019554716 211231788 /nfs/dbraw/zinc/23/17/88/211231788.db2.gz OLTBNALPOCANCC-UHFFFAOYSA-N 1 0 350.256 3.799 50 0 FHAARO OCC[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1C1CCCC1 ZINC000019299785 211213131 /nfs/dbraw/zinc/21/31/31/211213131.db2.gz QHHPXOHLNICYBF-IBGZPJMESA-N 1 0 371.550 3.621 50 0 FHAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000018250389 211196474 /nfs/dbraw/zinc/19/64/74/211196474.db2.gz XRODFTCDSZZZME-MRXNPFEDSA-N 1 0 363.244 3.724 50 0 FHAARO COc1cc(C[NH2+]CCc2nnc3ccccn32)cc(Cl)c1OC(C)C ZINC000017319132 211184495 /nfs/dbraw/zinc/18/44/95/211184495.db2.gz NVERFBXKCPUAAD-UHFFFAOYSA-N 1 0 374.872 3.511 50 0 FHAARO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCCN1CCCC1=O ZINC000017310058 211184111 /nfs/dbraw/zinc/18/41/11/211184111.db2.gz ZLKCKROVLAAWAA-UHFFFAOYSA-N 1 0 374.916 3.553 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000016753968 211169077 /nfs/dbraw/zinc/16/90/77/211169077.db2.gz UVLVEMLMPHAPMU-OAQYLSRUSA-N 1 0 352.478 3.961 50 0 FHAARO COc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000016606286 211164984 /nfs/dbraw/zinc/16/49/84/211164984.db2.gz UBJOYQXHMIHENQ-UHFFFAOYSA-N 1 0 372.896 3.877 50 0 FHAARO CC(C)[NH+](CCNC(=O)COc1ccc2oc3c(c2c1)CCCC3)C(C)C ZINC000015940954 211151074 /nfs/dbraw/zinc/15/10/74/211151074.db2.gz CSQCEQFWLZUEMK-UHFFFAOYSA-N 1 0 372.509 3.925 50 0 FHAARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCCC2)cc1 ZINC000015860182 211148016 /nfs/dbraw/zinc/14/80/16/211148016.db2.gz ZHYVYBTZEUCQAC-IBGZPJMESA-N 1 0 356.466 3.944 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2C)[NH+]2CCCCC2)o1 ZINC000015860178 211146870 /nfs/dbraw/zinc/14/68/70/211146870.db2.gz NHIJPKHKKYTZRX-SFHVURJKSA-N 1 0 356.466 3.619 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccc(C)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860291 211146949 /nfs/dbraw/zinc/14/69/49/211146949.db2.gz MUPMOJQNWLHFEJ-FQEVSTJZSA-N 1 0 370.493 3.865 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1noc2c1CSc1ccccc1-2 ZINC000015674019 211135896 /nfs/dbraw/zinc/13/58/96/211135896.db2.gz NQWHJLJHIGSNAW-CYBMUJFWSA-N 1 0 357.479 3.552 50 0 FHAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 ZINC000015073344 211119666 /nfs/dbraw/zinc/11/96/66/211119666.db2.gz CUCVXFWNUKPKPX-HNNXBMFYSA-N 1 0 361.873 3.652 50 0 FHAARO CCOC(=O)C1(CCOC)CC[NH+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC000015062844 211117740 /nfs/dbraw/zinc/11/77/40/211117740.db2.gz PTKMTUSWXLJWAI-UHFFFAOYSA-N 1 0 372.509 3.669 50 0 FHAARO CC(C)n1cc(CN(CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000014951773 211106071 /nfs/dbraw/zinc/10/60/71/211106071.db2.gz NOUOVKRNMOJDBR-NRFANRHFSA-N 1 0 354.542 3.851 50 0 FHAARO CSCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000014958440 211105782 /nfs/dbraw/zinc/10/57/82/211105782.db2.gz YLQLASRYPXTAEU-QGZVFWFLSA-N 1 0 361.536 3.966 50 0 FHAARO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](CC(C)(C)C)CC2)cc1 ZINC000014956641 211105371 /nfs/dbraw/zinc/10/53/71/211105371.db2.gz XOGMGJRYJPWEJD-UHFFFAOYSA-N 1 0 370.497 3.827 50 0 FHAARO CCc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)C(C)C)O3)CC2)cc1 ZINC000014879803 211105016 /nfs/dbraw/zinc/10/50/16/211105016.db2.gz XOWRPKGKVUTIEX-HXUWFJFHSA-N 1 0 358.526 3.535 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1csc(-c2cccs2)n1 ZINC000014247689 211088589 /nfs/dbraw/zinc/08/85/89/211088589.db2.gz XREWCMHUUFFIFV-AWEZNQCLSA-N 1 0 363.552 3.795 50 0 FHAARO O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1cccc(Cl)c1 ZINC000013786787 211059250 /nfs/dbraw/zinc/05/92/50/211059250.db2.gz QLBOOMPIEZUHCC-UHFFFAOYSA-O 1 0 370.835 3.820 50 0 FHAARO CCOc1cc(C[NH2+]CC(C)C)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717720 211051846 /nfs/dbraw/zinc/05/18/46/211051846.db2.gz AMGSQNPDMNOXBS-UHFFFAOYSA-N 1 0 367.453 3.599 50 0 FHAARO Cn1cc(C[NH+]2CCC(O)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000013636808 211044191 /nfs/dbraw/zinc/04/41/91/211044191.db2.gz AXJZMFHVRJOEDP-UHFFFAOYSA-N 1 0 363.461 3.836 50 0 FHAARO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[NH+]2CCCCCC2)cs1 ZINC000013003716 211018304 /nfs/dbraw/zinc/01/83/04/211018304.db2.gz PRNHOKQJTSLCPY-UHFFFAOYSA-N 1 0 355.507 3.884 50 0 FHAARO COc1ccc(OCC[N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000012992547 211016429 /nfs/dbraw/zinc/01/64/29/211016429.db2.gz LFFJUZFEHRBSRI-UHFFFAOYSA-N 1 0 367.445 3.929 50 0 FHAARO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000013040181 211022694 /nfs/dbraw/zinc/02/26/94/211022694.db2.gz UIXODTADPSKQRM-ZDUSSCGKSA-N 1 0 360.841 3.806 50 0 FHAARO COc1cccc([C@@H](CNC(=O)Nc2cccc(C)c2)[NH+]2CCCC2)c1 ZINC000012926792 211008973 /nfs/dbraw/zinc/00/89/73/211008973.db2.gz KUPRKEIFCRJRIC-HXUWFJFHSA-N 1 0 353.466 3.962 50 0 FHAARO COc1ccc([C@H](CNC(=O)Nc2ccccc2F)[NH+]2CCCC2)cc1 ZINC000012977077 211013454 /nfs/dbraw/zinc/01/34/54/211013454.db2.gz IAFXCSRSBCEUIS-IBGZPJMESA-N 1 0 357.429 3.793 50 0 FHAARO CC(C)[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)Cc1ccccc1 ZINC000012909990 211005627 /nfs/dbraw/zinc/00/56/27/211005627.db2.gz NBVACZPBDCJARY-KRWDZBQOSA-N 1 0 365.477 3.661 50 0 FHAARO CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000012858572 211000316 /nfs/dbraw/zinc/00/03/16/211000316.db2.gz BMFOXBJYAQQZII-SJLPKXTDSA-N 1 0 373.541 3.601 50 0 FHAARO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000012858583 211000099 /nfs/dbraw/zinc/00/00/99/211000099.db2.gz BMFOXBJYAQQZII-AEFFLSMTSA-N 1 0 373.541 3.601 50 0 FHAARO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000012858599 211000025 /nfs/dbraw/zinc/00/00/25/211000025.db2.gz MQJSDMUGXYWOGF-ROUUACIJSA-N 1 0 373.541 3.743 50 0 FHAARO C/C=C(\C)C[N@H+]1CCC[C@@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 ZINC000012441290 210958085 /nfs/dbraw/zinc/95/80/85/210958085.db2.gz LTZCTVOOLVYTGO-HQCRTTESSA-N 1 0 374.525 3.778 50 0 FHAARO CC1CC[NH+](CCCNC(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000011641350 210888360 /nfs/dbraw/zinc/88/83/60/210888360.db2.gz JAXZMRAJKMYGCR-KRWDZBQOSA-N 1 0 365.518 3.784 50 0 FHAARO COc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000009376745 210831760 /nfs/dbraw/zinc/83/17/60/210831760.db2.gz NBTAHEKVOYQSJR-IBGZPJMESA-N 1 0 363.461 3.817 50 0 FHAARO COc1ccc(/C=C/C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000003178953 210454313 /nfs/dbraw/zinc/45/43/13/210454313.db2.gz BDEKRAAFNLQIJJ-LHDXCKJESA-N 1 0 362.473 3.851 50 0 FHAARO CC[NH+](CC)C[C@H](C)[C@@H](C)OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001841031 210373292 /nfs/dbraw/zinc/37/32/92/210373292.db2.gz FYKBYTUHWXJHBK-RBUKOAKNSA-N 1 0 369.505 3.832 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)COc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000010329537 210356656 /nfs/dbraw/zinc/35/66/56/210356656.db2.gz AYLFUFIXTHZLAC-OAQYLSRUSA-N 1 0 366.436 3.777 50 0 FHAARO C[C@@H]1C[N@H+](C2CCN(Cc3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000001167337 210328481 /nfs/dbraw/zinc/32/84/81/210328481.db2.gz AOUKAAGBQSJMAJ-GASCZTMLSA-N 1 0 356.432 3.779 50 0 FHAARO [NH2+]=C(Nc1ccc(-c2ccccc2)cc1)Nc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000001215138 210335197 /nfs/dbraw/zinc/33/51/97/210335197.db2.gz TZDKENKYMDWWDY-UHFFFAOYSA-N 1 0 373.338 3.914 50 0 FHAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccccc3)C[C@H]21 ZINC000000934797 210292343 /nfs/dbraw/zinc/29/23/43/210292343.db2.gz GVASVUVYSBNTIP-LJQANCHMSA-N 1 0 363.461 3.661 50 0 FHAARO CC(C)COc1ccc(C(=O)O[C@H]2CC(C)(C)OC[C@H]2C[NH+](C)C)cc1 ZINC000000826069 210276790 /nfs/dbraw/zinc/27/67/90/210276790.db2.gz SSALKHAQQLSWJX-MJGOQNOKSA-N 1 0 363.498 3.624 50 0 FHAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000022095744 220377541 /nfs/dbraw/zinc/37/75/41/220377541.db2.gz NGJDQZWKXVCYAB-PKOBYXMFSA-N 1 0 355.482 3.732 50 0 FHAARO C[C@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000057856189 221095564 /nfs/dbraw/zinc/09/55/64/221095564.db2.gz RFBOPACGGOMXKN-HNNXBMFYSA-N 1 0 362.429 3.536 50 0 FHAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc4cccnc43)CC2)nc1 ZINC000058161686 221100573 /nfs/dbraw/zinc/10/05/73/221100573.db2.gz CEXDQCXATYKIEP-UHFFFAOYSA-N 1 0 360.461 3.789 50 0 FHAARO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000060156551 221128665 /nfs/dbraw/zinc/12/86/65/221128665.db2.gz GEEMQXNVIMZTFZ-HNNXBMFYSA-N 1 0 374.916 3.684 50 0 FHAARO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000064592890 221149078 /nfs/dbraw/zinc/14/90/78/221149078.db2.gz XWKDRJNAVXOXQE-UHFFFAOYSA-N 1 0 374.485 3.826 50 0 FHAARO COc1ccc2ccccc2c1CC[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000065370800 221204331 /nfs/dbraw/zinc/20/43/31/221204331.db2.gz GWBVRWVOLOXFJM-UHFFFAOYSA-N 1 0 354.494 3.628 50 0 FHAARO CCCn1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(C[NH+]2CCCC2)s1 ZINC000065372514 221205130 /nfs/dbraw/zinc/20/51/30/221205130.db2.gz LZXNUKKYYJJPJP-OAHLLOKOSA-N 1 0 358.511 3.733 50 0 FHAARO Cc1nc2ccc(Cl)cn2c1C[N@H+](C)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000065373912 221205142 /nfs/dbraw/zinc/20/51/42/221205142.db2.gz WVFSWDKDGWAXPP-HNNXBMFYSA-N 1 0 374.916 3.519 50 0 FHAARO O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255111 221188791 /nfs/dbraw/zinc/18/87/91/221188791.db2.gz TXUUBKSMZRYITK-UHFFFAOYSA-N 1 0 370.403 3.663 50 0 FHAARO C[C@@H](COc1ccccc1)[NH2+]C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000065398416 221211635 /nfs/dbraw/zinc/21/16/35/221211635.db2.gz JGCVYCCCIKXDGK-KRWDZBQOSA-N 1 0 353.466 3.740 50 0 FHAARO Cc1cc(=O)oc2cc(C[N@@H+]3CC[C@@H](c4ccc(F)cc4)[C@H](O)C3)ccc12 ZINC000065498531 221226715 /nfs/dbraw/zinc/22/67/15/221226715.db2.gz ZOYWSUXLGYIQCB-VQTJNVASSA-N 1 0 367.420 3.591 50 0 FHAARO C[N@H+](Cc1cccc2cnccc21)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067642632 221265577 /nfs/dbraw/zinc/26/55/77/221265577.db2.gz AFEHPRWCPISSQN-UHFFFAOYSA-N 1 0 359.473 3.971 50 0 FHAARO O=C([C@H]1CCC[NH2+]CC1)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067491351 221257254 /nfs/dbraw/zinc/25/72/54/221257254.db2.gz PKTGJIJITDVQLG-KRWDZBQOSA-N 1 0 374.488 3.504 50 0 FHAARO C[C@H](Cc1cnccn1)[NH2+]Cc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067713155 221275432 /nfs/dbraw/zinc/27/54/32/221275432.db2.gz RTEGLUIPAKWQNG-CYBMUJFWSA-N 1 0 356.376 3.663 50 0 FHAARO Cc1ccoc1C(=O)N1CCC(C[NH+]2CCCC2)(c2ccc(C)cn2)CC1 ZINC000067714602 221275937 /nfs/dbraw/zinc/27/59/37/221275937.db2.gz RTFCBVLRGRITNQ-UHFFFAOYSA-N 1 0 367.493 3.561 50 0 FHAARO CCc1c[nH]nc1C1CC[NH+](Cc2ccc3cccc(OC)c3n2)CC1 ZINC000067723343 221276723 /nfs/dbraw/zinc/27/67/23/221276723.db2.gz AWZRWLAIWOUNGE-UHFFFAOYSA-N 1 0 350.466 3.909 50 0 FHAARO COc1ccc(Oc2cc(-c3nc(C)no3)ccn2)cc1C[NH+]1CCCC1 ZINC000067676202 221269340 /nfs/dbraw/zinc/26/93/40/221269340.db2.gz CQMYMVGKRQRTDY-UHFFFAOYSA-N 1 0 366.421 3.837 50 0 FHAARO C[NH+]1CCN(Cc2ccccc2Oc2ncccc2C(F)(F)F)CC1 ZINC000067692676 221271566 /nfs/dbraw/zinc/27/15/66/221271566.db2.gz PKGIVYBHDPIPAH-UHFFFAOYSA-N 1 0 351.372 3.640 50 0 FHAARO CCc1ccc(C[NH+]2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)nc1 ZINC000067847200 221294047 /nfs/dbraw/zinc/29/40/47/221294047.db2.gz NLWMBRAIQZZCTL-UHFFFAOYSA-N 1 0 361.489 3.984 50 0 FHAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)Cc2cc(-c3ccccc3)on2)n1 ZINC000067872806 221297720 /nfs/dbraw/zinc/29/77/20/221297720.db2.gz LPBKBWHVAKOQCG-QGZVFWFLSA-N 1 0 363.465 3.543 50 0 FHAARO Cc1cccc2[nH]c([C@H]3CCCN3C(=O)C3CC[NH+](C(C)C)CC3)nc21 ZINC000067920121 221304979 /nfs/dbraw/zinc/30/49/79/221304979.db2.gz RSNKOVVAGXNVAO-GOSISDBHSA-N 1 0 354.498 3.655 50 0 FHAARO Cc1cccc(N2CCC([NH2+]C[C@H]3CCCN(C(=O)C4CC4)C3)CC2)c1C ZINC000067974056 221311019 /nfs/dbraw/zinc/31/10/19/221311019.db2.gz LFXDNLCTRFMNMO-LJQANCHMSA-N 1 0 369.553 3.510 50 0 FHAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCc1csc(-c3cccnc3)n1)CC2 ZINC000067983549 221312781 /nfs/dbraw/zinc/31/27/81/221312781.db2.gz MTNCIXULTVQDHM-SFHVURJKSA-N 1 0 365.502 3.903 50 0 FHAARO C[NH+](C)CCOc1ccccc1CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071419052 221347484 /nfs/dbraw/zinc/34/74/84/221347484.db2.gz NNQKWNJRSXZAQI-NRFANRHFSA-N 1 0 374.912 3.854 50 0 FHAARO Cc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)o1 ZINC000071745897 221358403 /nfs/dbraw/zinc/35/84/03/221358403.db2.gz MEMJNFWQAWREJL-FQEVSTJZSA-N 1 0 358.457 3.986 50 0 FHAARO CN(Cc1cccc2ncccc12)C(=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000071746932 221359363 /nfs/dbraw/zinc/35/93/63/221359363.db2.gz QACHKRRSDJGBEF-KRWDZBQOSA-N 1 0 351.475 3.993 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2ccncc2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071749201 221360506 /nfs/dbraw/zinc/36/05/06/221360506.db2.gz PJAPFDSMAOMHOC-HXUWFJFHSA-N 1 0 355.457 3.593 50 0 FHAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](CCCc3cccnc3)C2)c(C)c1 ZINC000071764816 221371805 /nfs/dbraw/zinc/37/18/05/221371805.db2.gz UFOIBIUAZARKIC-LJQANCHMSA-N 1 0 352.478 3.926 50 0 FHAARO Cc1cccc(CN2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2cccc(C)n2)n1 ZINC000071772089 221373389 /nfs/dbraw/zinc/37/33/89/221373389.db2.gz SXBLLUAXFAKRPB-VXKWHMMOSA-N 1 0 350.510 3.722 50 0 FHAARO Cc1ccccc1N1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)[C@H](C)C1 ZINC000077459902 132186056 /nfs/dbraw/zinc/18/60/56/132186056.db2.gz JCGDORDRUFJGHI-GOSISDBHSA-N 1 0 367.493 3.535 50 0 FHAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2nccc3ccccc32)C1 ZINC000095521165 132213875 /nfs/dbraw/zinc/21/38/75/132213875.db2.gz BLOMYRPYDFMMKH-LJQANCHMSA-N 1 0 363.509 3.767 50 0 FHAARO Cc1nc2sccc2c(N2CCC([NH2+]CCCc3ccncc3)CC2)n1 ZINC000095524290 132214383 /nfs/dbraw/zinc/21/43/83/132214383.db2.gz YUCSUGFLHAFABH-UHFFFAOYSA-N 1 0 367.522 3.586 50 0 FHAARO Cc1ccnc(C[NH2+]C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)c1 ZINC000096164264 132221564 /nfs/dbraw/zinc/22/15/64/132221564.db2.gz HTKDVNSAOHODMF-UHFFFAOYSA-N 1 0 373.504 3.914 50 0 FHAARO Cc1cccc(N2CCC([N@@H+]3CCc4nc(-c5cccnc5)[nH]c4C3)CC2)c1 ZINC000216487830 132271682 /nfs/dbraw/zinc/27/16/82/132271682.db2.gz QYMFNONCQXPKDC-UHFFFAOYSA-N 1 0 373.504 3.807 50 0 FHAARO Oc1ccc(N2CCN(Cc3ccc(C[NH+]4CCCCC4)s3)CC2)cc1 ZINC000222260376 132276704 /nfs/dbraw/zinc/27/67/04/132276704.db2.gz JQPIQZJLKPAOGI-UHFFFAOYSA-N 1 0 371.550 3.762 50 0 FHAARO Cc1cccc(N2CC[NH+](CC[C@@H](C)NC(=O)Nc3ccccc3)CC2)c1 ZINC000031098661 136117278 /nfs/dbraw/zinc/11/72/78/136117278.db2.gz TWLDYNMTFACNIV-LJQANCHMSA-N 1 0 366.509 3.717 50 0 FHAARO CC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000034668720 136117860 /nfs/dbraw/zinc/11/78/60/136117860.db2.gz KZNDOCFFANMZNO-QGZVFWFLSA-N 1 0 369.484 3.676 50 0 FHAARO C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000040104081 136119273 /nfs/dbraw/zinc/11/92/73/136119273.db2.gz GWPSBJHPAHWWNM-GOSISDBHSA-N 1 0 366.509 3.581 50 0 FHAARO Cc1cccc(N2CC[NH+](CCCNC(=O)CC3CCCCC3)CC2)c1 ZINC000046447869 136122323 /nfs/dbraw/zinc/12/23/23/136122323.db2.gz NCOQOKRKGNTFOT-UHFFFAOYSA-N 1 0 357.542 3.594 50 0 FHAARO c1csc(-c2cc3c(N4CCC([NH+]5CCCCC5)CC4)nccn3n2)c1 ZINC000067285185 136137148 /nfs/dbraw/zinc/13/71/48/136137148.db2.gz HLDIFVIDFRDNQC-UHFFFAOYSA-N 1 0 367.522 3.913 50 0 FHAARO Oc1cccc(C[N@@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)c1 ZINC000072438401 136147557 /nfs/dbraw/zinc/14/75/57/136147557.db2.gz FWUCJOYHGKDNOS-UHFFFAOYSA-N 1 0 374.488 3.970 50 0 FHAARO CC(C)(O)CCc1ccc(C(=O)NCC2([NH+]3CCCC3)CCCC2)cc1 ZINC000072480261 221555037 /nfs/dbraw/zinc/55/50/37/221555037.db2.gz QGSTUSKUBVXEMR-UHFFFAOYSA-N 1 0 358.526 3.529 50 0 FHAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2c(SC)cnn2-c2ccccc2)C1 ZINC000079100939 221687316 /nfs/dbraw/zinc/68/73/16/221687316.db2.gz CQXSNACVCSVBIG-INIZCTEOSA-N 1 0 373.526 3.542 50 0 FHAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(C)cc1 ZINC000095116051 221849754 /nfs/dbraw/zinc/84/97/54/221849754.db2.gz DOZHWDWTODHBFN-IBGZPJMESA-N 1 0 353.466 3.998 50 0 FHAARO Cc1ncsc1CCN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095362979 221864197 /nfs/dbraw/zinc/86/41/97/221864197.db2.gz BBTXYGPGRBAWEV-UHFFFAOYSA-N 1 0 357.523 3.752 50 0 FHAARO COc1ccc2c(c1)CCN(C(=O)c1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000095380635 221884702 /nfs/dbraw/zinc/88/47/02/221884702.db2.gz KDPUEMPYTHUQIB-UHFFFAOYSA-N 1 0 364.489 3.532 50 0 FHAARO CC(=O)c1ccc(NC(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000095517812 221942168 /nfs/dbraw/zinc/94/21/68/221942168.db2.gz XPJUTJFHPMPCPY-FQEVSTJZSA-N 1 0 366.465 3.633 50 0 FHAARO C[NH+](C)CCCOc1ccc(-c2ccc(-c3csc(N)n3)cc2)cn1 ZINC000096130401 222035028 /nfs/dbraw/zinc/03/50/28/222035028.db2.gz WTVOGYQDYBPJBD-UHFFFAOYSA-N 1 0 354.479 3.785 50 0 FHAARO Fc1ccc([C@H](CNc2nccc(-c3cccnc3)n2)[NH+]2CCCC2)cc1 ZINC000096150726 222051851 /nfs/dbraw/zinc/05/18/51/222051851.db2.gz CNFYZEDAFIFEFN-FQEVSTJZSA-N 1 0 363.440 3.927 50 0 FHAARO Cc1nnc(-c2cccc(-c3ccc(OCCC[NH+](C)C)nc3)c2)s1 ZINC000096162024 222061897 /nfs/dbraw/zinc/06/18/97/222061897.db2.gz DFEZPHAZSJBQKV-UHFFFAOYSA-N 1 0 354.479 3.906 50 0 FHAARO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)C)[C@H](CCO)C2)cc1C(C)C ZINC000096167195 222065989 /nfs/dbraw/zinc/06/59/89/222065989.db2.gz DOLWBWVHLMPNGN-LJQANCHMSA-N 1 0 361.530 3.675 50 0 FHAARO C/C=C\c1ccc(OCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(OC)c1 ZINC000096593069 222126114 /nfs/dbraw/zinc/12/61/14/222126114.db2.gz VXSLJWOGVBIMHH-FVXMCEBTSA-N 1 0 368.477 3.526 50 0 FHAARO CS(=O)(=O)C[C@@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000097532320 222189769 /nfs/dbraw/zinc/18/97/69/222189769.db2.gz QMFDJJWAZIOBFK-GOSISDBHSA-N 1 0 357.519 3.575 50 0 FHAARO CCc1nnc(CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C(C)C)o1 ZINC000097546611 222189783 /nfs/dbraw/zinc/18/97/83/222189783.db2.gz OPFCCMZZXNPRTE-UHFFFAOYSA-N 1 0 370.497 3.669 50 0 FHAARO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000097162445 222166578 /nfs/dbraw/zinc/16/65/78/222166578.db2.gz PUIDXAXJSWAQKH-KBPBESRZSA-N 1 0 362.420 3.962 50 0 FHAARO O=C(c1cnoc1-c1ccccc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000097213159 222168417 /nfs/dbraw/zinc/16/84/17/222168417.db2.gz PWCYGUAHAWXTCP-UHFFFAOYSA-N 1 0 367.474 3.751 50 0 FHAARO Cc1ccc(NC(=O)CC(C)C)cc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000097468290 222183306 /nfs/dbraw/zinc/18/33/06/222183306.db2.gz BGDHXPNAEPQZAP-SFHVURJKSA-N 1 0 372.513 3.682 50 0 FHAARO COc1ccc(CN(C)Cc2cnc3ccccn23)cc1C[NH+]1CCCC1 ZINC000097514389 222186959 /nfs/dbraw/zinc/18/69/59/222186959.db2.gz MEHGXCZQYMMSPX-UHFFFAOYSA-N 1 0 364.493 3.571 50 0 FHAARO O=C(CCc1ccncc1)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000097636584 222201491 /nfs/dbraw/zinc/20/14/91/222201491.db2.gz JPASWQAQSASZPJ-OAQYLSRUSA-N 1 0 351.494 3.748 50 0 FHAARO O=C(c1ccc2cccc(Cl)c2n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000097732392 222208873 /nfs/dbraw/zinc/20/88/73/222208873.db2.gz BFNOAUZBUSLWPP-UHFFFAOYSA-N 1 0 357.885 3.979 50 0 FHAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNc2nccc(-c3ccccn3)n2)C1 ZINC000097797486 222214247 /nfs/dbraw/zinc/21/42/47/222214247.db2.gz DWJGUKBHJGRGER-SFHVURJKSA-N 1 0 359.477 3.781 50 0 FHAARO COc1ccc(-c2c(C)n(O)c(C)c(-c3ccccc3)[n+]2=O)cc1OC ZINC000103719418 222342159 /nfs/dbraw/zinc/34/21/59/222342159.db2.gz CNIOCGBUNKWZEB-UHFFFAOYSA-N 1 0 353.398 3.608 50 0 FHAARO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000106088367 222382214 /nfs/dbraw/zinc/38/22/14/222382214.db2.gz NVXGPWPUHQINDK-GDBMZVCRSA-N 1 0 372.513 3.585 50 0 FHAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000106718798 222387560 /nfs/dbraw/zinc/38/75/60/222387560.db2.gz OIKUOARTEJPPCB-LBPRGKRZSA-N 1 0 353.388 3.805 50 0 FHAARO COc1ccccc1C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C)C1 ZINC000019743611 263375375 /nfs/dbraw/zinc/37/53/75/263375375.db2.gz WFKZZFGLSNMAGF-INIZCTEOSA-N 1 0 363.461 3.677 50 0 FHAARO C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)NCC(C)(C)[NH+]1CCCC1 ZINC000426580957 263638015 /nfs/dbraw/zinc/63/80/15/263638015.db2.gz KLGFQZJZVKYDKA-INIZCTEOSA-N 1 0 369.513 3.654 50 0 FHAARO CC(C)N1C[C@@]2(CCC[N@H+](CCCC(=O)c3ccccc3)C2)CCC1=O ZINC000082121071 519694837 /nfs/dbraw/zinc/69/48/37/519694837.db2.gz OUULFFDWCLHNAT-QFIPXVFZSA-N 1 0 356.510 3.763 50 0 FHAARO CCCOc1ccc(Br)cc1CNC[C@H]1CCC[N@@H+]1CC ZINC000020967876 520324816 /nfs/dbraw/zinc/32/48/16/520324816.db2.gz KPHWFTHZBIGPLC-MRXNPFEDSA-N 1 0 355.320 3.812 50 0 FHAARO CCCc1nc(C(=O)NCC2CC[NH+](Cc3ccc(C)o3)CC2)cs1 ZINC000091526086 521478183 /nfs/dbraw/zinc/47/81/83/521478183.db2.gz NVBVRGPAOFOGKG-UHFFFAOYSA-N 1 0 361.511 3.639 50 0 FHAARO C[NH+](C)Cc1ccnc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)c1 ZINC000089319453 521934607 /nfs/dbraw/zinc/93/46/07/521934607.db2.gz CMSXGSLYTLOSAJ-UHFFFAOYSA-N 1 0 370.453 3.587 50 0 FHAARO C[NH2+]C[C@H]1CCN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)C1 ZINC000178973890 522090346 /nfs/dbraw/zinc/09/03/46/522090346.db2.gz OMBKOBPVSZZLLU-SNVBAGLBSA-N 1 0 355.916 3.515 50 0 FHAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ccc3nsnc3c2)C1 ZINC000020201867 522955504 /nfs/dbraw/zinc/95/55/04/522955504.db2.gz SQTGTVUGCMLQBE-LJQANCHMSA-N 1 0 366.534 3.830 50 0 FHAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000020167703 523351257 /nfs/dbraw/zinc/35/12/57/523351257.db2.gz CREWEPDOHDTFOY-FQEVSTJZSA-N 1 0 362.477 3.833 50 0 FHAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)c1ccc(-c2cc[nH]n2)cc1 ZINC000091288717 523359402 /nfs/dbraw/zinc/35/94/02/523359402.db2.gz SGNSUHUDQDTYGY-UHFFFAOYSA-N 1 0 374.488 3.945 50 0 FHAARO C[C@H]1CCC[C@@H]([NH+]2CCN(C(=O)COc3ccc4ccccc4c3)CC2)C1 ZINC000020569780 524145076 /nfs/dbraw/zinc/14/50/76/524145076.db2.gz UNBUUESLNYKJKW-GHTZIAJQSA-N 1 0 366.505 3.942 50 0 FHAARO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COCCOc2ccc(Cl)cc2)[C@H]1C ZINC000245228303 524410246 /nfs/dbraw/zinc/41/02/46/524410246.db2.gz OSISLWGQAJWPLM-YEWFCNIMSA-N 1 0 355.906 3.511 50 0 FHAARO Cc1cccc(C[NH2+]Cc2cccn2-c2nnc(N3CCCC3)s2)c1 ZINC000020576511 524436138 /nfs/dbraw/zinc/43/61/38/524436138.db2.gz JKNTVNNCMRUULJ-UHFFFAOYSA-N 1 0 353.495 3.527 50 0 FHAARO Cc1cccc(NC(=O)NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)c1C ZINC000082166255 524635025 /nfs/dbraw/zinc/63/50/25/524635025.db2.gz MJSRHQUMILYGQQ-UHFFFAOYSA-N 1 0 369.513 3.683 50 0 FHAARO Cc1nc(-c2ccccc2)[nH]c1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000020514370 525399891 /nfs/dbraw/zinc/39/98/91/525399891.db2.gz ZAKOBZGDZIGBJO-UHFFFAOYSA-N 1 0 360.505 3.745 50 0 FHAARO COc1ccc2[nH]c(C)c(C(=O)CN3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000020134332 525478808 /nfs/dbraw/zinc/47/88/08/525478808.db2.gz HRUBSRRFSVOTCH-UHFFFAOYSA-N 1 0 369.509 3.618 50 0 FHAARO COc1cccc(C[NH2+]C[C@@](O)(c2ccccc2)c2ccc(F)cc2)c1 ZINC000020365979 526020525 /nfs/dbraw/zinc/02/05/25/526020525.db2.gz LRIMENLXBBPYBL-JOCHJYFZSA-N 1 0 351.421 3.860 50 0 FHAARO C[C@H]1CCCC[C@H]1[NH+]1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000020569879 526261253 /nfs/dbraw/zinc/26/12/53/526261253.db2.gz JJPMFBPUUZHTSC-PGRDOPGGSA-N 1 0 366.505 3.942 50 0 FHAARO Fc1cccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000019789526 526387546 /nfs/dbraw/zinc/38/75/46/526387546.db2.gz GBMBNLSJJQQZHQ-UHFFFAOYSA-N 1 0 367.512 3.608 50 0 FHAARO Cc1nc(C)c(CN(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)nc1C ZINC000020537686 526715951 /nfs/dbraw/zinc/71/59/51/526715951.db2.gz ZYHLOLBARITBRS-OAQYLSRUSA-N 1 0 352.526 3.541 50 0 FHAARO O=C(NCc1ccoc1)c1ccc([C@@H]2CCC[N@@H+]2CC2CCOCC2)s1 ZINC000082039672 526799357 /nfs/dbraw/zinc/79/93/57/526799357.db2.gz TUAGDDFHLURQND-KRWDZBQOSA-N 1 0 374.506 3.835 50 0 FHAARO O=C1C[C@H]([NH2+]CCC2=CCCCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000020500896 527029135 /nfs/dbraw/zinc/02/91/35/527029135.db2.gz MKFWBRSASIYBTN-INIZCTEOSA-N 1 0 366.383 3.817 50 0 FHAARO O=C1c2ccccc2C(=O)N1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000020223254 527131549 /nfs/dbraw/zinc/13/15/49/527131549.db2.gz XKORRSVKSHMDSO-NRFANRHFSA-N 1 0 356.425 3.814 50 0 FHAARO [NH3+]C[C@H]1CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C1 ZINC000178518164 527238088 /nfs/dbraw/zinc/23/80/88/527238088.db2.gz CVGFBLAKWQZEGN-GFCCVEGCSA-N 1 0 366.358 3.932 50 0 FHAARO [NH3+][C@@H](Cc1c[nH]c2ccccc12)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000019852736 527334776 /nfs/dbraw/zinc/33/47/76/527334776.db2.gz XAFYLTJHCCSKRP-SFHVURJKSA-N 1 0 368.912 3.513 50 0 FHAARO CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1(C)C ZINC000024714390 535372012 /nfs/dbraw/zinc/37/20/12/535372012.db2.gz MSVQPEVWVSTSNW-QUCCMNQESA-N 1 0 355.526 3.924 50 0 FHAARO CCCc1cnc(C)nc1N1CCC([NH2+][C@@H]2COC3(C2)CCCCC3)CC1 ZINC000095525766 535437410 /nfs/dbraw/zinc/43/74/10/535437410.db2.gz RAMWKCQBVTXHLM-FQEVSTJZSA-N 1 0 372.557 3.788 50 0 FHAARO CCc1cnc(C)nc1N1CCC([NH2+][C@H](c2cccc(C)n2)C2CC2)CC1 ZINC000096140970 536019787 /nfs/dbraw/zinc/01/97/87/536019787.db2.gz XSYZFSQWFQTTSW-NRFANRHFSA-N 1 0 365.525 3.761 50 0 FHAARO COc1cc(SC)c(OC)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000214961486 568035408 /nfs/dbraw/zinc/03/54/08/568035408.db2.gz DFTUIZVOLVFYIS-KXBFYZLASA-N 1 0 351.512 3.553 50 0 FHAARO COc1ccc(-c2ccc(C(=O)NC3CC[NH+](CCSC)CC3)o2)cc1 ZINC000215103345 568051942 /nfs/dbraw/zinc/05/19/42/568051942.db2.gz OFBFKWMMVRLDPN-UHFFFAOYSA-N 1 0 374.506 3.512 50 0 FHAARO C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000215150882 568054598 /nfs/dbraw/zinc/05/45/98/568054598.db2.gz OKQIMIKYEJQUTB-QFIPXVFZSA-N 1 0 363.549 3.813 50 0 FHAARO O=C(NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1cccn1C1CC1 ZINC000215319034 568063751 /nfs/dbraw/zinc/06/37/51/568063751.db2.gz KRPDFTPKSJKQKZ-IBGZPJMESA-N 1 0 351.494 3.508 50 0 FHAARO CC(C)c1noc(C2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)n1 ZINC000215391503 568067801 /nfs/dbraw/zinc/06/78/01/568067801.db2.gz WCTHWBWMHHFNFG-UHFFFAOYSA-N 1 0 365.481 3.973 50 0 FHAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(OCCCn3ccnc3)c2)on1 ZINC000215625536 568080603 /nfs/dbraw/zinc/08/06/03/568080603.db2.gz WLYIAJXZFQLMAM-FQEVSTJZSA-N 1 0 366.465 3.986 50 0 FHAARO Cn1ccc2c1cccc2C(=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000215636352 568081170 /nfs/dbraw/zinc/08/11/70/568081170.db2.gz ZRRQUQILDPRCMD-OAQYLSRUSA-N 1 0 365.452 3.884 50 0 FHAARO Cc1c2cc(Cl)ccc2[nH]c1CN1CCc2nc(-c3cn[nH]c3)[nH]c2C1 ZINC000215820652 568090637 /nfs/dbraw/zinc/09/06/37/568090637.db2.gz QROFOGGXYPMLLO-UHFFFAOYSA-N 1 0 366.856 3.801 50 0 FHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCc4ccccc43)CC2)o1 ZINC000215912094 568095310 /nfs/dbraw/zinc/09/53/10/568095310.db2.gz IEWDXAQWTGYSKQ-NRFANRHFSA-N 1 0 352.478 3.646 50 0 FHAARO c1ccc(COc2cccc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)c2)nc1 ZINC000215919453 568095597 /nfs/dbraw/zinc/09/55/97/568095597.db2.gz HECOQAFJXKTZKB-IBGZPJMESA-N 1 0 360.461 3.830 50 0 FHAARO COc1ccc(-c2ncc(C[N@H+](C)CCc3scnc3C)cn2)cc1 ZINC000216051764 568102776 /nfs/dbraw/zinc/10/27/76/568102776.db2.gz LQMYIPQDIHYIKU-UHFFFAOYSA-N 1 0 354.479 3.592 50 0 FHAARO CN(C)c1ccc(CC(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)cc1 ZINC000218934134 568258068 /nfs/dbraw/zinc/25/80/68/568258068.db2.gz VXGZXZJWECJUFY-UHFFFAOYSA-N 1 0 365.521 3.550 50 0 FHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000604404460 568274056 /nfs/dbraw/zinc/27/40/56/568274056.db2.gz HJDSWBMHHQTXSX-FUHWJXTLSA-N 1 0 373.497 3.576 50 0 FHAARO Cc1ccc(S[C@@H](C)C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000219316734 568288568 /nfs/dbraw/zinc/28/85/68/568288568.db2.gz GRNFROYGYCHNDU-KRWDZBQOSA-N 1 0 369.534 3.651 50 0 FHAARO COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000012355723 568313035 /nfs/dbraw/zinc/31/30/35/568313035.db2.gz VYLHWHGQHLJXQC-INIZCTEOSA-N 1 0 364.898 3.977 50 0 FHAARO COc1cccc(/C=C/C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000032238933 568388147 /nfs/dbraw/zinc/38/81/47/568388147.db2.gz JCIKODRKMWPOGE-QZEKMECESA-N 1 0 356.491 3.723 50 0 FHAARO CC1(C)Cc2cc(CNC(=O)C[N@@H+]3CC[C@@H](c4ccccc4)C3)ccc2O1 ZINC000221227342 568392575 /nfs/dbraw/zinc/39/25/75/568392575.db2.gz MPGZUNVDDHSNLG-LJQANCHMSA-N 1 0 364.489 3.506 50 0 FHAARO CSc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091809123 570439565 /nfs/dbraw/zinc/43/95/65/570439565.db2.gz WKAQBSQBPROBTB-ZWKOTPCHSA-N 1 0 367.518 3.540 50 0 FHAARO O=C(CCC[NH+]1CCC2(CCC(=O)N(C3CC3)C2)CC1)c1ccc(F)cc1 ZINC000091872203 570441380 /nfs/dbraw/zinc/44/13/80/570441380.db2.gz GRTFENUZZRRFBM-UHFFFAOYSA-N 1 0 372.484 3.656 50 0 FHAARO O=C(c1cc(F)cc(Cl)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091943191 570442985 /nfs/dbraw/zinc/44/29/85/570442985.db2.gz DHFNUDLFQZIOKS-IFXJQAMLSA-N 1 0 373.859 3.611 50 0 FHAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-c3ccccc3)c1)C2 ZINC000091964673 570443644 /nfs/dbraw/zinc/44/36/44/570443644.db2.gz JLUIODBBBNOPPS-XMSQKQJNSA-N 1 0 364.489 3.536 50 0 FHAARO Cc1ccc([C@H]2CN(C(=O)c3cc(C)oc3-c3ccccc3)C[C@@H]2[NH3+])o1 ZINC000091966064 570443950 /nfs/dbraw/zinc/44/39/50/570443950.db2.gz AYLSJCUVIGSFHH-ROUUACIJSA-N 1 0 350.418 3.723 50 0 FHAARO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](Cc3cccc(CO)c3)C1)CO2 ZINC000092002082 570444949 /nfs/dbraw/zinc/44/49/49/570444949.db2.gz RPGVIRSRXDZIFE-SFHVURJKSA-N 1 0 365.473 3.528 50 0 FHAARO CCc1nc(C)sc1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2 ZINC000092098206 570447595 /nfs/dbraw/zinc/44/75/95/570447595.db2.gz AFBVIAITWWJDNX-FUHWJXTLSA-N 1 0 356.539 3.505 50 0 FHAARO Cc1nc(C2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)no1 ZINC000092787966 570449001 /nfs/dbraw/zinc/44/90/01/570449001.db2.gz CQTQWFPWJWETSE-UHFFFAOYSA-N 1 0 364.449 3.732 50 0 FHAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)n3)cc2)CC1 ZINC000426411448 570450282 /nfs/dbraw/zinc/45/02/82/570450282.db2.gz NHYHQYVWXZVXMU-OAHLLOKOSA-N 1 0 363.383 3.721 50 0 FHAARO COc1cccc(C[N@@H+]2CCC[C@H](c3nccn3Cc3cscn3)C2)c1 ZINC000095371419 570455972 /nfs/dbraw/zinc/45/59/72/570455972.db2.gz GJBJSOVVHHKRKB-KRWDZBQOSA-N 1 0 368.506 3.776 50 0 FHAARO CC(C)c1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)on1 ZINC000095372428 570456870 /nfs/dbraw/zinc/45/68/70/570456870.db2.gz NTHVSRAAJJJTTO-QZTJIDSGSA-N 1 0 353.466 3.535 50 0 FHAARO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc3occc3c2)C1 ZINC000095375233 570457369 /nfs/dbraw/zinc/45/73/69/570457369.db2.gz SVLYTKTZSRFJJZ-IEBWSBKVSA-N 1 0 361.445 3.564 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccc(C)s2)C3)cc1 ZINC000095378853 570458459 /nfs/dbraw/zinc/45/84/59/570458459.db2.gz DGQWKOUAWVJGNI-ZWKOTPCHSA-N 1 0 370.518 3.802 50 0 FHAARO Cc1cc([C@H]2CCCCN2C(=O)C2CC[NH+](Cc3ccco3)CC2)no1 ZINC000095383490 570459438 /nfs/dbraw/zinc/45/94/38/570459438.db2.gz OJOSSNYGQVRWMX-LJQANCHMSA-N 1 0 357.454 3.542 50 0 FHAARO O=C(NCc1nc(C2CCCCC2)no1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095392129 570461252 /nfs/dbraw/zinc/46/12/52/570461252.db2.gz PSMPPMPECYOWOX-SFHVURJKSA-N 1 0 368.481 3.514 50 0 FHAARO CC(C)n1cnnc1[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000095508197 570464842 /nfs/dbraw/zinc/46/48/42/570464842.db2.gz RCNQUQLUIWVUIL-INIZCTEOSA-N 1 0 370.501 3.728 50 0 FHAARO CC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccc(F)cc3)cs2)C[C@H]1C(C)C ZINC000095510341 570465487 /nfs/dbraw/zinc/46/54/87/570465487.db2.gz XJNFFHOEOGEBHW-DLBZAZTESA-N 1 0 361.486 3.542 50 0 FHAARO Cc1cc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)cc1F ZINC000095527343 570468881 /nfs/dbraw/zinc/46/88/81/570468881.db2.gz YTPRKKSIJUDNIM-CQSZACIVSA-N 1 0 369.868 3.552 50 0 FHAARO C[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000004815961 570470886 /nfs/dbraw/zinc/47/08/86/570470886.db2.gz RQYGBQGUEMQQBG-OXJNMPFZSA-N 1 0 364.445 3.843 50 0 FHAARO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)N1CCc2ccccc2C1 ZINC000057364139 570522968 /nfs/dbraw/zinc/52/29/68/570522968.db2.gz MXPZJSVEERAKPK-UHFFFAOYSA-N 1 0 356.469 3.951 50 0 FHAARO Cc1ccc(C(=O)c2ccc(C[NH+]3CCC4(CC3)OCCO4)cc2)cc1C ZINC000002514738 570523321 /nfs/dbraw/zinc/52/33/21/570523321.db2.gz YCBQLPPQIKUZLF-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO CCOC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1OC ZINC000002862090 570539680 /nfs/dbraw/zinc/53/96/80/570539680.db2.gz OZAMKSBGPJALFN-JKSUJKDBSA-N 1 0 357.450 3.876 50 0 FHAARO O=C(c1cc(C2CC2)on1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178588844 570543438 /nfs/dbraw/zinc/54/34/38/570543438.db2.gz ZELWIXISQVUZJQ-ICSRJNTNSA-N 1 0 365.477 3.679 50 0 FHAARO CCCOc1c(Cl)cc(C[NH2+]CCOc2ccccn2)cc1OC ZINC000113395304 570543906 /nfs/dbraw/zinc/54/39/06/570543906.db2.gz GRBBDRXQEKFDCB-UHFFFAOYSA-N 1 0 350.846 3.701 50 0 FHAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]C(C)(C)C)CCCCC2 ZINC000003683231 570567641 /nfs/dbraw/zinc/56/76/41/570567641.db2.gz BJISNFLTCOIIPH-UHFFFAOYSA-N 1 0 352.500 3.520 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)COc1ccccc1)c1ccccc1Cl ZINC000011917252 570601990 /nfs/dbraw/zinc/60/19/90/570601990.db2.gz QVNDIEQNLAHUFD-IBGZPJMESA-N 1 0 360.885 3.918 50 0 FHAARO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000248205425 570602752 /nfs/dbraw/zinc/60/27/52/570602752.db2.gz ZUXCQUVTICOGMY-QUCCMNQESA-N 1 0 357.542 3.530 50 0 FHAARO Cc1ccc(C(=O)NCC2(c3cccc(F)c3)CCCC2)cc1OCC[NH3+] ZINC000426490260 570607761 /nfs/dbraw/zinc/60/77/61/570607761.db2.gz UEUSPVMWGIEIPN-UHFFFAOYSA-N 1 0 370.468 3.713 50 0 FHAARO O=C(N[C@H]1CCOC1)c1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000426571821 570616925 /nfs/dbraw/zinc/61/69/25/570616925.db2.gz SEWMRDXKSAMFCC-QFIPXVFZSA-N 1 0 364.489 3.858 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000005041294 570619204 /nfs/dbraw/zinc/61/92/04/570619204.db2.gz SZCGIFNKYJVHTL-UHFFFAOYSA-N 1 0 367.537 3.919 50 0 in-vivo FHAARO Cc1c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)sc2cccc(F)c12 ZINC000329746067 570620719 /nfs/dbraw/zinc/62/07/19/570620719.db2.gz YRFGJFGBKAIXNB-YPMHNXCESA-N 1 0 359.426 3.935 50 0 FHAARO COC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000253425830 570625452 /nfs/dbraw/zinc/62/54/52/570625452.db2.gz DVYKOOSYMOJZMU-CQSZACIVSA-N 1 0 359.388 3.793 50 0 FHAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)Cc3ccc(F)cc3)nc21 ZINC000005268256 570642259 /nfs/dbraw/zinc/64/22/59/570642259.db2.gz JXROGQVEMNDXQT-UHFFFAOYSA-N 1 0 371.481 3.881 50 0 FHAARO CC[NH+](CC)CCCNc1ncnc2c1c(C)c(C)n2-c1cccnc1 ZINC000005350619 570648857 /nfs/dbraw/zinc/64/88/57/570648857.db2.gz FZMYYIOKRSUBSJ-UHFFFAOYSA-N 1 0 352.486 3.576 50 0 FHAARO COc1ccc(-c2ccc(SCC[NH+]3CCCCC3)nn2)cc1OC ZINC000005410544 570653918 /nfs/dbraw/zinc/65/39/18/570653918.db2.gz AJKYAYAABMDKGO-UHFFFAOYSA-N 1 0 359.495 3.739 50 0 FHAARO Clc1ccc(/C=C/C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000007541300 570666314 /nfs/dbraw/zinc/66/63/14/570666314.db2.gz DNTXXAVHYXNHFD-SNAWJCMRSA-N 1 0 371.897 3.711 50 0 FHAARO CCOc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCCC3)cc1 ZINC000002974602 570678638 /nfs/dbraw/zinc/67/86/38/570678638.db2.gz WWSIZDRAMBUFEP-JOCHJYFZSA-N 1 0 351.470 3.736 50 0 FHAARO CCOc1ccc([C@]2(O)C[N+](c3cccc(C)c3C)=C3CCCCN32)cc1 ZINC000002966258 570678922 /nfs/dbraw/zinc/67/89/22/570678922.db2.gz MDECVIKGSNUKRQ-HSZRJFAPSA-N 1 0 365.497 3.962 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)CSc1ccc2ccccc2n1)c1ccccc1 ZINC000005627314 570682549 /nfs/dbraw/zinc/68/25/49/570682549.db2.gz PSNJMXHAYWJLEX-LJQANCHMSA-N 1 0 365.502 3.746 50 0 FHAARO CC1=C(C(=O)OC(C)C)[C@H](c2ccc(O)cc2)N2c3ccccc3NC2=[NH+]1 ZINC000008741351 570686567 /nfs/dbraw/zinc/68/65/67/570686567.db2.gz ACTDYQWNOCNKHA-IBGZPJMESA-N 1 0 363.417 3.961 50 0 FHAARO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062527 570691447 /nfs/dbraw/zinc/69/14/47/570691447.db2.gz IOVYKXLHEPUWTH-UHFFFAOYSA-N 1 0 366.505 3.656 50 0 FHAARO COc1cc(Cl)cc(CNCCC[NH+](C)C)c1OCc1ccccc1 ZINC000010435609 570700823 /nfs/dbraw/zinc/70/08/23/570700823.db2.gz JYRKGOUPWURWCK-UHFFFAOYSA-N 1 0 362.901 3.969 50 0 FHAARO CCCCc1ncc(C[N@@H+]2CCC[C@@](CO)(Cc3cccc(OC)c3)C2)[nH]1 ZINC000011664163 570704731 /nfs/dbraw/zinc/70/47/31/570704731.db2.gz ZMYFYXIMRXSMFO-JOCHJYFZSA-N 1 0 371.525 3.578 50 0 FHAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC000011771600 570706768 /nfs/dbraw/zinc/70/67/68/570706768.db2.gz SKJVCXQRWPUOGQ-IBGZPJMESA-N 1 0 356.535 3.846 50 0 FHAARO Cc1cccc(OCC(=O)N2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)c1 ZINC000011815005 570707148 /nfs/dbraw/zinc/70/71/48/570707148.db2.gz OWYUZLCGQVGUTB-FQEVSTJZSA-N 1 0 358.526 3.590 50 0 FHAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1cccnc1Oc1ccccc1F ZINC000011820644 570708274 /nfs/dbraw/zinc/70/82/74/570708274.db2.gz ZBASEBZQIWWQLY-KRWDZBQOSA-N 1 0 357.429 3.504 50 0 FHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)C2CCCC2)C1 ZINC000011958594 570713554 /nfs/dbraw/zinc/71/35/54/570713554.db2.gz ZRMXNCDUEQLSBS-GOSISDBHSA-N 1 0 358.526 3.598 50 0 FHAARO O=C(c1cscn1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000011996700 570713584 /nfs/dbraw/zinc/71/35/84/570713584.db2.gz WHAJIXQCXXIADX-OAQYLSRUSA-N 1 0 369.534 3.704 50 0 FHAARO O=C(c1cscn1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000011996703 570713618 /nfs/dbraw/zinc/71/36/18/570713618.db2.gz WHAJIXQCXXIADX-NRFANRHFSA-N 1 0 369.534 3.704 50 0 FHAARO CC[C@H](C)C[NH+]1CCC(O)(Cc2cc(-c3cccc(OC)c3)no2)CC1 ZINC000012057032 570715582 /nfs/dbraw/zinc/71/55/82/570715582.db2.gz SWFKPLQIMICFOB-INIZCTEOSA-N 1 0 358.482 3.766 50 0 FHAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C/C=C/C(C)C)CC2)c1 ZINC000012056691 570715584 /nfs/dbraw/zinc/71/55/84/570715584.db2.gz XFESNAJTJKEUIC-SNAWJCMRSA-N 1 0 372.509 3.643 50 0 FHAARO COc1ccc(/C=C/C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000012074613 570716719 /nfs/dbraw/zinc/71/67/19/570716719.db2.gz JAECEXBMAWDCLR-FFXXTYGZSA-N 1 0 364.489 3.831 50 0 FHAARO Clc1cccnc1N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012075555 570716919 /nfs/dbraw/zinc/71/69/19/570716919.db2.gz JKUJKGOIOWWQSK-GOSISDBHSA-N 1 0 356.901 3.869 50 0 FHAARO Cc1c(C[N@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cnn1C ZINC000012196177 570726181 /nfs/dbraw/zinc/72/61/81/570726181.db2.gz VGSRVIJKAMFPQT-SFHVURJKSA-N 1 0 355.482 3.611 50 0 FHAARO O=C(c1ccoc1)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012201989 570727216 /nfs/dbraw/zinc/72/72/16/570727216.db2.gz CIEGLSIIRWDMDN-INIZCTEOSA-N 1 0 374.431 3.932 50 0 FHAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+]([C@H](C)CSC)CC1 ZINC000012209664 570727990 /nfs/dbraw/zinc/72/79/90/570727990.db2.gz RGRSELDJZVDIAC-MRXNPFEDSA-N 1 0 365.539 3.635 50 0 FHAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2c(F)cccc2F)C1 ZINC000012226377 570729971 /nfs/dbraw/zinc/72/99/71/570729971.db2.gz WMHJUNUNDWHFLP-SFHVURJKSA-N 1 0 372.459 3.992 50 0 FHAARO CC(=O)c1ccc(C(=O)N2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)cc1 ZINC000012297347 570732777 /nfs/dbraw/zinc/73/27/77/570732777.db2.gz KQFPBUSCLGHKAM-OAQYLSRUSA-N 1 0 356.510 3.719 50 0 FHAARO CC(=O)c1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)cs1 ZINC000012300876 570733753 /nfs/dbraw/zinc/73/37/53/570733753.db2.gz PPIWVGBDNXXKKV-MRXNPFEDSA-N 1 0 352.463 3.699 50 0 FHAARO CN(C(=O)CCc1cccs1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012303045 570734454 /nfs/dbraw/zinc/73/44/54/570734454.db2.gz OSZIJFYZXGHEBN-IBGZPJMESA-N 1 0 368.546 3.771 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000012382472 570740930 /nfs/dbraw/zinc/74/09/30/570740930.db2.gz ZMSHJBLNTVDAFK-LBPRGKRZSA-N 1 0 359.297 3.750 50 0 FHAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1)NCc1ccccc1F ZINC000012386832 570741362 /nfs/dbraw/zinc/74/13/62/570741362.db2.gz XZYSWGNEUXGSOH-KRWDZBQOSA-N 1 0 370.468 3.840 50 0 FHAARO COc1cc(F)ccc1C[NH2+][C@@H]1CCCc2c1cnn2-c1ccccn1 ZINC000012430714 570744407 /nfs/dbraw/zinc/74/44/07/570744407.db2.gz QFORYDKDIUHPKY-QGZVFWFLSA-N 1 0 352.413 3.582 50 0 FHAARO Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)s1 ZINC000012432871 570744852 /nfs/dbraw/zinc/74/48/52/570744852.db2.gz IIPRGMWCASNTEF-GOSISDBHSA-N 1 0 354.519 3.760 50 0 FHAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]C2CCOCC2)cc1 ZINC000012438299 570745581 /nfs/dbraw/zinc/74/55/81/570745581.db2.gz UXLKBBNXAPMPKF-LJQANCHMSA-N 1 0 355.482 3.663 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000032593855 570750515 /nfs/dbraw/zinc/75/05/15/570750515.db2.gz KQUOGINHMYMFJX-HXUWFJFHSA-N 1 0 372.484 3.921 50 0 FHAARO CCC[C@H]1C[C@H]1C(=O)N(C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012593984 570752397 /nfs/dbraw/zinc/75/23/97/570752397.db2.gz UNAYEDUJUMUYRP-PZJWPPBQSA-N 1 0 360.517 3.975 50 0 FHAARO O[C@H](COc1ccc2cc(Br)ccc2c1)C[NH+]1CCCCC1 ZINC000002846369 570769212 /nfs/dbraw/zinc/76/92/12/570769212.db2.gz QAYPZNCTTLUDSL-KRWDZBQOSA-N 1 0 364.283 3.828 50 0 FHAARO CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc3ccccc3c2)C1 ZINC000051058526 570778651 /nfs/dbraw/zinc/77/86/51/570778651.db2.gz GAIZDGHXIBLMDL-RTWAWAEBSA-N 1 0 354.494 3.502 50 0 FHAARO CN(C)[C@H](C[NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1Cl ZINC000032735868 570790680 /nfs/dbraw/zinc/79/06/80/570790680.db2.gz REMOQXIWHIZBOE-HXUWFJFHSA-N 1 0 354.885 3.918 50 0 FHAARO COc1ccc(C[N@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)c(OC)c1 ZINC000032869440 570825990 /nfs/dbraw/zinc/82/59/90/570825990.db2.gz AVXSKPYIBVWVOA-UHFFFAOYSA-N 1 0 368.477 3.572 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1cccc(OC)c1)c1ccccc1 ZINC000103384302 570849268 /nfs/dbraw/zinc/84/92/68/570849268.db2.gz BBZHDGLPULHQLI-DDAIRQTISA-N 1 0 352.478 3.908 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2C)CC1 ZINC000016725211 570861123 /nfs/dbraw/zinc/86/11/23/570861123.db2.gz YIPJGBQCLMZSNI-UHFFFAOYSA-N 1 0 371.912 3.972 50 0 FHAARO C[C@@H](CNc1cc(C(=O)NC2CC2)c2ccccc2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000071954270 570881446 /nfs/dbraw/zinc/88/14/46/570881446.db2.gz WUIWBBNAEYYXBX-HOTGVXAUSA-N 1 0 366.509 3.659 50 0 FHAARO CC[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C[C@H](C)O ZINC000108090540 570902747 /nfs/dbraw/zinc/90/27/47/570902747.db2.gz UCHGZMFBWCEKSC-UWJYYQICSA-N 1 0 367.493 3.663 50 0 FHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H](CO)c2cc(F)c(F)c(F)c2)C1 ZINC000108160540 570903424 /nfs/dbraw/zinc/90/34/24/570903424.db2.gz MYGPGIAZWSVKRK-ACWOFJMJSA-N 1 0 364.411 3.562 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(F)cc1 ZINC000048280069 570942811 /nfs/dbraw/zinc/94/28/11/570942811.db2.gz UGEYLPSBYMUFRA-IBGZPJMESA-N 1 0 356.445 3.739 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CC[C@@H]3CCCO3)cc2)C1 ZINC000048311203 570943759 /nfs/dbraw/zinc/94/37/59/570943759.db2.gz YZNZXJGPRVSDSQ-OPYAIIAOSA-N 1 0 358.526 3.740 50 0 FHAARO Cc1noc(C)c1CC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048332099 570947704 /nfs/dbraw/zinc/94/77/04/570947704.db2.gz WHLAJYPFXDKOHZ-IYBDPMFKSA-N 1 0 369.509 3.628 50 0 FHAARO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(F)cc3nc[nH]c32)cc1 ZINC000048374550 570953893 /nfs/dbraw/zinc/95/38/93/570953893.db2.gz MWAWWOJGLNNJLF-UHFFFAOYSA-N 1 0 370.428 3.675 50 0 FHAARO CC1CC[NH+](CCCNC(=O)Nc2ccc(F)cc2Br)CC1 ZINC000048452674 570955421 /nfs/dbraw/zinc/95/54/21/570955421.db2.gz WQAVNYLDBGZWHC-UHFFFAOYSA-N 1 0 372.282 3.832 50 0 FHAARO COc1cc(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)cc(OC)c1 ZINC000048784846 570959773 /nfs/dbraw/zinc/95/97/73/570959773.db2.gz XMLPFMCWYFCPBL-UHFFFAOYSA-N 1 0 357.454 3.524 50 0 FHAARO CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1(C)C ZINC000024714392 570980406 /nfs/dbraw/zinc/98/04/06/570980406.db2.gz MSVQPEVWVSTSNW-UYAOXDASSA-N 1 0 355.526 3.924 50 0 FHAARO CC(C)[NH+](CCNC(=O)c1cc2cc(Br)ccc2[nH]1)C(C)C ZINC000024842316 570984533 /nfs/dbraw/zinc/98/45/33/570984533.db2.gz XARGNTNYGHMLJQ-UHFFFAOYSA-N 1 0 366.303 3.779 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1csc(-c2cccs2)n1)c1ccsc1 ZINC000025331108 570994381 /nfs/dbraw/zinc/99/43/81/570994381.db2.gz BCPNXNYLJLHVMH-CYBMUJFWSA-N 1 0 363.533 3.966 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C)s2)cc1 ZINC000026311279 571004487 /nfs/dbraw/zinc/00/44/87/571004487.db2.gz LDAOPLQKJQUBOK-HNNXBMFYSA-N 1 0 366.552 3.938 50 0 FHAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCc2[nH]c3ccccc3c2C1 ZINC000026484893 571005953 /nfs/dbraw/zinc/00/59/53/571005953.db2.gz UBGDJLFPFDASIJ-IBGZPJMESA-N 1 0 365.502 3.951 50 0 FHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(Br)o1 ZINC000027604452 571016022 /nfs/dbraw/zinc/01/60/22/571016022.db2.gz BLAKJTVVWPWXRO-LLVKDONJSA-N 1 0 369.284 3.671 50 0 FHAARO CC[C@H](CNC(=O)CCC(=O)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000040081364 571018469 /nfs/dbraw/zinc/01/84/69/571018469.db2.gz LFHAEWKXHJKGOP-OAQYLSRUSA-N 1 0 364.489 3.603 50 0 FHAARO CC1CC[NH+]([C@H](CNC(=O)COc2ccccc2)c2cccs2)CC1 ZINC000028291526 571029922 /nfs/dbraw/zinc/02/99/22/571029922.db2.gz OMAKRYLHKFQGKR-GOSISDBHSA-N 1 0 358.507 3.716 50 0 FHAARO O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008389136 571043285 /nfs/dbraw/zinc/04/32/85/571043285.db2.gz PPGIPWWHYCDEKB-HXUWFJFHSA-N 1 0 361.489 3.881 50 0 FHAARO C[C@@H](Nc1cc(-c2ccccc2)nc2ncnn21)[C@H](c1ccccc1)[NH+](C)C ZINC000225532815 571043666 /nfs/dbraw/zinc/04/36/66/571043666.db2.gz KGYJGBFJDVIJMA-IIBYNOLFSA-N 1 0 372.476 3.895 50 0 FHAARO CC[N@H+](C)[C@@H](C(=O)NCc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000225569710 571046319 /nfs/dbraw/zinc/04/63/19/571046319.db2.gz WBUSPIOMMDPLAH-QGZVFWFLSA-N 1 0 372.337 3.691 50 0 FHAARO Cc1cc2oc(=O)cc(C[N@H+](CCO)Cc3ccccc3)c2cc1Cl ZINC000070927402 571049770 /nfs/dbraw/zinc/04/97/70/571049770.db2.gz GCCZTUZPOYRXKD-UHFFFAOYSA-N 1 0 357.837 3.749 50 0 FHAARO O=C(N1CCc2ccccc2CC1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000225644876 571052225 /nfs/dbraw/zinc/05/22/25/571052225.db2.gz JAGYHAWJSVXKQK-OAQYLSRUSA-N 1 0 361.489 3.692 50 0 FHAARO C[NH+]1CCC(NC(=S)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000083877638 571055736 /nfs/dbraw/zinc/05/57/36/571055736.db2.gz DRVQWVXPLLRKNP-QGZVFWFLSA-N 1 0 363.527 3.535 50 0 FHAARO CCN(CC)c1ccc2[nH]c(C)c(C[N@H+](C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008717382 571057150 /nfs/dbraw/zinc/05/71/50/571057150.db2.gz YYIJTQMHJOTATD-UHFFFAOYSA-N 1 0 370.541 3.621 50 0 FHAARO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000012733534 571058250 /nfs/dbraw/zinc/05/82/50/571058250.db2.gz YIHDQEJFWRGHQH-VXGBXAGGSA-N 1 0 360.285 3.614 50 0 FHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2cccs2)on1 ZINC000032622374 571059044 /nfs/dbraw/zinc/05/90/44/571059044.db2.gz WTJVUOIZLBWTBX-QGZVFWFLSA-N 1 0 367.474 3.970 50 0 FHAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)ccc1OCC(N)=O ZINC000033087210 571062395 /nfs/dbraw/zinc/06/23/95/571062395.db2.gz YUFYVROQLMXRHW-MRXNPFEDSA-N 1 0 374.506 3.738 50 0 FHAARO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000040005791 571067803 /nfs/dbraw/zinc/06/78/03/571067803.db2.gz KNCWLXZCJZTWOG-SIHNGCNOSA-N 1 0 358.530 3.939 50 0 FHAARO COC(=O)CC[NH2+]Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000012748686 571069294 /nfs/dbraw/zinc/06/92/94/571069294.db2.gz MESYYNPFTXNLGE-UHFFFAOYSA-N 1 0 363.461 3.809 50 0 FHAARO O=S(=O)(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccccc1 ZINC000008901269 571070318 /nfs/dbraw/zinc/07/03/18/571070318.db2.gz XMGKBSRRLJXKFP-SFHVURJKSA-N 1 0 364.536 3.644 50 0 FHAARO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000040071801 571072423 /nfs/dbraw/zinc/07/24/23/571072423.db2.gz GXMWIDMFQXOGOL-CABCVRRESA-N 1 0 357.498 3.523 50 0 FHAARO O=C(CSCc1cccs1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000040081358 571073725 /nfs/dbraw/zinc/07/37/25/571073725.db2.gz FPLJOQWYQJQOMU-UHFFFAOYSA-N 1 0 360.548 3.894 50 0 FHAARO COc1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1OC ZINC000239432961 571074587 /nfs/dbraw/zinc/07/45/87/571074587.db2.gz WZXQIVKQISBHGM-PZJWPPBQSA-N 1 0 358.526 3.933 50 0 FHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)CC1 ZINC000040107966 571078243 /nfs/dbraw/zinc/07/82/43/571078243.db2.gz CSAMUWFKWDJCNH-UHFFFAOYSA-N 1 0 362.477 3.558 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000008945862 571079417 /nfs/dbraw/zinc/07/94/17/571079417.db2.gz RXJLNGUTVSDBFV-UHFFFAOYSA-N 1 0 361.486 3.636 50 0 FHAARO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000040120494 571080478 /nfs/dbraw/zinc/08/04/78/571080478.db2.gz NNAMEMYCWOHNON-AWEZNQCLSA-N 1 0 355.429 3.922 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000040120493 571080615 /nfs/dbraw/zinc/08/06/15/571080615.db2.gz NNAMEMYCWOHNON-CQSZACIVSA-N 1 0 355.429 3.922 50 0 FHAARO COc1cccc(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000040142742 571084544 /nfs/dbraw/zinc/08/45/44/571084544.db2.gz ALVUWWBLHFDZCR-NRFANRHFSA-N 1 0 366.505 3.898 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OC)cc1 ZINC000040152980 571086692 /nfs/dbraw/zinc/08/66/92/571086692.db2.gz FNRAWTRLQCGECD-IBGZPJMESA-N 1 0 368.481 3.609 50 0 FHAARO CC(C)(C)c1cn2nc(NC[C@H](c3ccco3)[NH+]3CCCC3)sc2n1 ZINC000040153403 571086845 /nfs/dbraw/zinc/08/68/45/571086845.db2.gz HGAATIWKYAIEOT-CYBMUJFWSA-N 1 0 359.499 3.930 50 0 FHAARO Cc1nc(COc2ccc(C(=O)NC[C@H](C)[NH+]3CCCCC3)cc2)cs1 ZINC000040157560 571088098 /nfs/dbraw/zinc/08/80/98/571088098.db2.gz VOALQIHYYSZHRO-HNNXBMFYSA-N 1 0 373.522 3.635 50 0 FHAARO CC[C@H](C)C(=O)NCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000040158139 571088598 /nfs/dbraw/zinc/08/85/98/571088598.db2.gz LJISGTCJRJJPCB-INIZCTEOSA-N 1 0 359.514 3.552 50 0 FHAARO CCOc1cc(C[NH2+]CCN(C)C)ccc1OCc1cccc(Cl)c1 ZINC000040720275 571092361 /nfs/dbraw/zinc/09/23/61/571092361.db2.gz LOFMJPGZDPICIM-UHFFFAOYSA-N 1 0 362.901 3.969 50 0 FHAARO C[NH+](C)C[C@@H](NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1ccccc1 ZINC000012773400 571092554 /nfs/dbraw/zinc/09/25/54/571092554.db2.gz UQAAGQFAFKMHHT-LJQANCHMSA-N 1 0 367.493 3.704 50 0 FHAARO COc1ccc(CC[NH2+]Cc2cc(Cl)cc(OC)c2OC)cc1OC ZINC000040722115 571092849 /nfs/dbraw/zinc/09/28/49/571092849.db2.gz LKGIFPTYTPWXBO-UHFFFAOYSA-N 1 0 365.857 3.707 50 0 FHAARO CC[C@H](CO)[NH2+]Cc1cccc(OC)c1OCc1c(F)cccc1Cl ZINC000040722434 571093108 /nfs/dbraw/zinc/09/31/08/571093108.db2.gz XFJSCKKPGIPLPB-CQSZACIVSA-N 1 0 367.848 3.927 50 0 FHAARO COc1cccc(C[NH2+]CCO)c1OCc1c(Cl)cccc1Cl ZINC000040722358 571093160 /nfs/dbraw/zinc/09/31/60/571093160.db2.gz AGXRWTGSZPTWOQ-UHFFFAOYSA-N 1 0 356.249 3.663 50 0 FHAARO OCCOCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722777 571093271 /nfs/dbraw/zinc/09/32/71/571093271.db2.gz WBAPWDGBNLDPGE-UHFFFAOYSA-N 1 0 370.276 3.671 50 0 FHAARO OCCOCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040728004 571093615 /nfs/dbraw/zinc/09/36/15/571093615.db2.gz LSOMQQAFOHQJOL-UHFFFAOYSA-N 1 0 370.276 3.671 50 0 FHAARO CCOCCC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000040733042 571094747 /nfs/dbraw/zinc/09/47/47/571094747.db2.gz QNTDROALHCKDBH-UHFFFAOYSA-N 1 0 356.466 3.529 50 0 FHAARO CC[C@H](C)[NH2+]Cc1cccc(OC)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734642 571094781 /nfs/dbraw/zinc/09/47/81/571094781.db2.gz FXVBDIGAKXYWCS-INIZCTEOSA-N 1 0 356.466 3.909 50 0 FHAARO CCOc1cc(C[NH2+]CCCO)ccc1OCc1c(F)cccc1Cl ZINC000040743781 571096142 /nfs/dbraw/zinc/09/61/42/571096142.db2.gz FUNVHUNHFKCGHN-UHFFFAOYSA-N 1 0 367.848 3.929 50 0 FHAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000009316315 571104550 /nfs/dbraw/zinc/10/45/50/571104550.db2.gz YMOHBIKBSQMRFE-UHFFFAOYSA-N 1 0 363.383 3.710 50 0 FHAARO COc1cccc2ccc(-c3ccc(C(=O)N[C@H]4CC[C@@H]([NH3+])C4)cc3)nc21 ZINC000426634176 571105568 /nfs/dbraw/zinc/10/55/68/571105568.db2.gz KXKJMUGEYCTMFC-MSOLQXFVSA-N 1 0 361.445 3.520 50 0 FHAARO CC(C)[NH+]1CCC(CNC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000012442784 571105905 /nfs/dbraw/zinc/10/59/05/571105905.db2.gz KYBXUOFFOXAWHD-UHFFFAOYSA-N 1 0 359.297 3.609 50 0 FHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cc2c(nc3sccn23)s1 ZINC000009366942 571106683 /nfs/dbraw/zinc/10/66/83/571106683.db2.gz MQHGLTPMGHEBHL-UHFFFAOYSA-N 1 0 370.503 3.602 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccccc3)cc2C)CC1 ZINC000009368802 571106975 /nfs/dbraw/zinc/10/69/75/571106975.db2.gz AGUQFKJZKFLNRN-UHFFFAOYSA-N 1 0 369.534 3.868 50 0 FHAARO COC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000239722612 571108746 /nfs/dbraw/zinc/10/87/46/571108746.db2.gz CDTMVLZHPXXMBN-AWEZNQCLSA-N 1 0 359.388 3.793 50 0 FHAARO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000072314436 571108867 /nfs/dbraw/zinc/10/88/67/571108867.db2.gz PTWBKDTWVMUAKT-UHFFFAOYSA-N 1 0 361.486 3.780 50 0 FHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2c(F)cccc2F)CC1 ZINC000009471234 571110195 /nfs/dbraw/zinc/11/01/95/571110195.db2.gz LJZYEBQZRZEQTB-UHFFFAOYSA-N 1 0 365.811 3.622 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000009479189 571110735 /nfs/dbraw/zinc/11/07/35/571110735.db2.gz JGHMSCSVJYQAKY-MRXNPFEDSA-N 1 0 365.246 3.621 50 0 FHAARO Cc1ccc(S(=O)(=O)N[C@@H](CC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000012812337 571113848 /nfs/dbraw/zinc/11/38/48/571113848.db2.gz JGMIWXDEIQYHBA-NRFANRHFSA-N 1 0 372.534 3.891 50 0 FHAARO c1ccc(C(c2ccccc2)N2CC[NH+](C[C@H]3CCCOC3)CC2)cc1 ZINC000244708190 571114741 /nfs/dbraw/zinc/11/47/41/571114741.db2.gz KPGRZOODFOHCRQ-HXUWFJFHSA-N 1 0 350.506 3.820 50 0 FHAARO O=C([C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1)N1CCCCC1 ZINC000054991884 571115239 /nfs/dbraw/zinc/11/52/39/571115239.db2.gz PSWQTCPQIOCSJM-INIZCTEOSA-N 1 0 354.416 3.930 50 0 FHAARO Cc1ncsc1CCN(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244718775 571115299 /nfs/dbraw/zinc/11/52/99/571115299.db2.gz LQOKSSYJYRJVQQ-GOSISDBHSA-N 1 0 357.523 3.507 50 0 FHAARO Cc1ncsc1CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244795593 571117309 /nfs/dbraw/zinc/11/73/09/571117309.db2.gz RJKODXBNQPGJCW-GOSISDBHSA-N 1 0 357.523 3.555 50 0 FHAARO CC[C@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1cc(Cl)c(O)c(OC)c1 ZINC000055199954 571117757 /nfs/dbraw/zinc/11/77/57/571117757.db2.gz XESZHCIXLBJKTO-MRXNPFEDSA-N 1 0 367.848 3.966 50 0 FHAARO CC(C)C[NH+](CC(C)C)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000009722069 571117901 /nfs/dbraw/zinc/11/79/01/571117901.db2.gz JGOYUZJJUVMNRP-JOCHJYFZSA-N 1 0 371.525 3.514 50 0 FHAARO O=C(CC[N@@H+]1CCCC[C@@H]1c1ccccn1)NCc1cccc(Cl)c1 ZINC000244866390 571118243 /nfs/dbraw/zinc/11/82/43/571118243.db2.gz VVJTXZJYKVVHQK-LJQANCHMSA-N 1 0 357.885 3.969 50 0 FHAARO CCOc1cccc(C[N@H+](CCO)Cc2ccc(-c3cncnc3)cc2)c1 ZINC000055270740 571118809 /nfs/dbraw/zinc/11/88/09/571118809.db2.gz AADYVLHVZIQAKB-UHFFFAOYSA-N 1 0 363.461 3.537 50 0 FHAARO CCC[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2NC(=O)CC)CC1 ZINC000055324963 571119094 /nfs/dbraw/zinc/11/90/94/571119094.db2.gz XMSGWZCOCCFTQF-UHFFFAOYSA-N 1 0 365.905 3.540 50 0 FHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cccnc2NC(=O)C(C)(C)C)c1 ZINC000055283555 571119255 /nfs/dbraw/zinc/11/92/55/571119255.db2.gz LFCKXVPHIRPJQO-INIZCTEOSA-N 1 0 354.498 3.833 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@]2(c3ccc(F)cc3)CCOC2)cc1 ZINC000055326789 571119635 /nfs/dbraw/zinc/11/96/35/571119635.db2.gz BQLSEIMXRMOBMI-OAQYLSRUSA-N 1 0 369.415 3.803 50 0 FHAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000009849415 571120157 /nfs/dbraw/zinc/12/01/57/571120157.db2.gz FVPCUNKVWNJQAE-UHFFFAOYSA-N 1 0 352.478 3.653 50 0 FHAARO Cc1cc(C)n(CC2(C[NH2+]Cc3cnc(-c4cccc(C)c4)nc3)CC2)n1 ZINC000055392859 571120241 /nfs/dbraw/zinc/12/02/41/571120241.db2.gz NTNYACYPUKYMJU-UHFFFAOYSA-N 1 0 361.493 3.835 50 0 FHAARO Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000009917463 571120860 /nfs/dbraw/zinc/12/08/60/571120860.db2.gz YIMUMYHVEPUNOC-UHFFFAOYSA-N 1 0 366.490 3.505 50 0 FHAARO Cn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000009942272 571121341 /nfs/dbraw/zinc/12/13/41/571121341.db2.gz QWMNKKWPYXIJLA-UHFFFAOYSA-N 1 0 352.438 3.795 50 0 FHAARO COc1ccc([C@@H]2CCCN2CC(=O)N(C)c2ccccc2)c(OC)c1 ZINC000012820404 571121899 /nfs/dbraw/zinc/12/18/99/571121899.db2.gz IRCYEUUQDDSTFZ-IBGZPJMESA-N 1 0 354.450 3.504 50 0 FHAARO CC(C)[C@@H](CNC(=O)c1csc(-c2ccccn2)n1)[NH+]1CCC(C)CC1 ZINC000058004659 571124105 /nfs/dbraw/zinc/12/41/05/571124105.db2.gz YGKAHBGVLUKYCP-GOSISDBHSA-N 1 0 372.538 3.691 50 0 FHAARO COCCC[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000247823546 571125858 /nfs/dbraw/zinc/12/58/58/571125858.db2.gz DVSAXLYMRVVHKO-UHFFFAOYSA-N 1 0 370.884 3.773 50 0 FHAARO O=C(C[N@@H+]1CCC[C@H]1C1CCCCC1)NCc1ccc(OC(F)F)cc1 ZINC000071811017 571126109 /nfs/dbraw/zinc/12/61/09/571126109.db2.gz HJJCNFQVUNPCRM-SFHVURJKSA-N 1 0 366.452 3.949 50 0 FHAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc(-c2cnn(C)c2C)no1 ZINC000184486899 571128122 /nfs/dbraw/zinc/12/81/22/571128122.db2.gz XNUZUMHGQKCMTR-KRWDZBQOSA-N 1 0 366.465 3.599 50 0 FHAARO O=C(CCC(=O)c1ccccc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058197200 571128477 /nfs/dbraw/zinc/12/84/77/571128477.db2.gz ZEGUEDUTVQLISN-QGZVFWFLSA-N 1 0 370.518 3.739 50 0 FHAARO Cc1nn(C)cc1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)c(C)c1)C2 ZINC000252487032 571132524 /nfs/dbraw/zinc/13/25/24/571132524.db2.gz HQSRNRYYCUXUMT-BCDXTJNWSA-N 1 0 370.472 3.525 50 0 FHAARO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068938 571144926 /nfs/dbraw/zinc/14/49/26/571144926.db2.gz IUIRRXXOWNBXLI-UHFFFAOYSA-N 1 0 367.518 3.965 50 0 FHAARO CCCn1cc(C[NH2+][C@@H](C)c2cnc(-c3ccncc3)nc2C)c(C)n1 ZINC000055167748 571144987 /nfs/dbraw/zinc/14/49/87/571144987.db2.gz JONHRILXHFYKGD-HNNXBMFYSA-N 1 0 350.470 3.613 50 0 FHAARO O=C(/C=C/SCc1ccco1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000075109527 571156159 /nfs/dbraw/zinc/15/61/59/571156159.db2.gz JCCCENKMROUZHZ-GXDHUFHOSA-N 1 0 356.491 3.807 50 0 FHAARO COc1ccccc1Cc1noc(C2C[NH+](Cc3cc(C)ccc3C)C2)n1 ZINC000075156533 571157134 /nfs/dbraw/zinc/15/71/34/571157134.db2.gz ORWPUCTZVXHGNJ-UHFFFAOYSA-N 1 0 363.461 3.885 50 0 FHAARO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C1CCCC1 ZINC000053436572 571160320 /nfs/dbraw/zinc/16/03/20/571160320.db2.gz WRFGSSBDWZSGOQ-INIZCTEOSA-N 1 0 357.479 3.893 50 0 FHAARO CCOc1ccc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000004690500 571162674 /nfs/dbraw/zinc/16/26/74/571162674.db2.gz KFUCMQWURAOVLL-UHFFFAOYSA-N 1 0 366.505 3.956 50 0 FHAARO O=C(CCc1c[nH]c2ccccc12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005933288 571168306 /nfs/dbraw/zinc/16/83/06/571168306.db2.gz PBCGIIRIOLOMJH-UHFFFAOYSA-N 1 0 361.489 3.881 50 0 FHAARO Cc1nc2c(cnn2C)c(NC[C@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000072143127 571172036 /nfs/dbraw/zinc/17/20/36/571172036.db2.gz VASOOMHGUINLIA-LJQANCHMSA-N 1 0 364.497 3.701 50 0 FHAARO Cc1nc([C@H]2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)cc(=O)[nH]1 ZINC000072141742 571172100 /nfs/dbraw/zinc/17/21/00/571172100.db2.gz KQJCPFDLEVDCPM-INIZCTEOSA-N 1 0 353.466 3.584 50 0 FHAARO c1cn(C[C@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)cn1 ZINC000072141768 571172126 /nfs/dbraw/zinc/17/21/26/571172126.db2.gz IDVBGUKGIHSSRQ-FQEVSTJZSA-N 1 0 362.477 3.769 50 0 FHAARO Cc1ccc(F)c(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072147180 571173587 /nfs/dbraw/zinc/17/35/87/571173587.db2.gz VTGSSFORRDVDHD-MDNUFGMLSA-N 1 0 366.480 3.902 50 0 FHAARO c1c(C[N@H+]2CCCC[C@H]2CCN2CCOCC2)onc1C1CCCCC1 ZINC000072147751 571173684 /nfs/dbraw/zinc/17/36/84/571173684.db2.gz REKKAECUARAAPH-IBGZPJMESA-N 1 0 361.530 3.799 50 0 FHAARO O=C(c1cccc(CC2CC[NH2+]CC2)c1)N1CCC(C(F)(F)F)CC1 ZINC000072150474 571174499 /nfs/dbraw/zinc/17/44/99/571174499.db2.gz ZRFCCCNZRJGVMZ-UHFFFAOYSA-N 1 0 354.416 3.643 50 0 FHAARO Cc1c[nH]c(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c(C)c1=O ZINC000072153062 571174643 /nfs/dbraw/zinc/17/46/43/571174643.db2.gz NXKAFBXFDWYKFN-IEIRFRATSA-N 1 0 366.505 3.644 50 0 FHAARO C[NH+]1CCC(N(Cc2c[nH]c(CC3CCCC3)n2)Cc2cccnc2)CC1 ZINC000072154153 571174792 /nfs/dbraw/zinc/17/47/92/571174792.db2.gz XZGVXNKRWMFYAP-UHFFFAOYSA-N 1 0 367.541 3.634 50 0 FHAARO Fc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000072154665 571175168 /nfs/dbraw/zinc/17/51/68/571175168.db2.gz XNHFWTRSOLLIDQ-QGZVFWFLSA-N 1 0 374.422 3.921 50 0 FHAARO CN(C)C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000072158272 571175418 /nfs/dbraw/zinc/17/54/18/571175418.db2.gz LBDMKADFQMGXPS-SFHVURJKSA-N 1 0 351.494 3.829 50 0 FHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2c(s1)CCCC2 ZINC000012542106 571177582 /nfs/dbraw/zinc/17/75/82/571177582.db2.gz NVBKTEZWLSVDCL-UHFFFAOYSA-N 1 0 369.534 3.939 50 0 FHAARO Cc1c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000072172848 571177670 /nfs/dbraw/zinc/17/76/70/571177670.db2.gz QBGPPYOCABFRDV-NRFANRHFSA-N 1 0 365.452 3.961 50 0 FHAARO c1cnn(Cc2ccccc2CN2CCC[N@H+](Cc3cccs3)CC2)c1 ZINC000072173991 571177765 /nfs/dbraw/zinc/17/77/65/571177765.db2.gz HKDABQGXGPWQIF-UHFFFAOYSA-N 1 0 366.534 3.701 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000003376651 571182303 /nfs/dbraw/zinc/18/23/03/571182303.db2.gz LFSGPAYFZBTLNW-HXUWFJFHSA-N 1 0 372.896 3.844 50 0 FHAARO Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000012565271 571183935 /nfs/dbraw/zinc/18/39/35/571183935.db2.gz PBEGPKGGYDXBMB-UHFFFAOYSA-N 1 0 371.912 3.672 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000012982235 571184388 /nfs/dbraw/zinc/18/43/88/571184388.db2.gz KWXHZNPBKPOBGQ-IYBDPMFKSA-N 1 0 352.482 3.666 50 0 FHAARO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000090699908 571186603 /nfs/dbraw/zinc/18/66/03/571186603.db2.gz KPVRMXFVYCKLJF-HXUWFJFHSA-N 1 0 354.519 3.863 50 0 FHAARO CCN1CC2(CC1=O)CC[NH+](Cc1[nH]c3ccc(Cl)cc3c1C)CC2 ZINC000072406992 571191024 /nfs/dbraw/zinc/19/10/24/571191024.db2.gz RCGJMVQQXQSQMJ-UHFFFAOYSA-N 1 0 359.901 3.964 50 0 FHAARO C[N@H+](CCC(=O)/C=C/c1cccc(F)c1)CCc1ccc2c(c1)OCO2 ZINC000007041788 571191001 /nfs/dbraw/zinc/19/10/01/571191001.db2.gz BGHZOGGANANMIC-FNORWQNLSA-N 1 0 355.409 3.701 50 0 FHAARO Cc1nc2c(c(NCC[C@@H](c3ccco3)c3ccccc3)n1)CC[NH2+]CC2 ZINC000072428576 571194789 /nfs/dbraw/zinc/19/47/89/571194789.db2.gz HJZSXNFFEWMTHI-GOSISDBHSA-N 1 0 362.477 3.700 50 0 FHAARO CSc1ccc(-c2nc(C[N@@H+]3C[C@H]4CCC[C@@]4(CO)C3)c(C)o2)cc1 ZINC000072440543 571196706 /nfs/dbraw/zinc/19/67/06/571196706.db2.gz ICQLYDMPANRGND-UZLBHIALSA-N 1 0 358.507 3.966 50 0 FHAARO c1ccc(CCC[NH2+]CC2(c3ccc4c(c3)OCCO4)CCOCC2)cc1 ZINC000001866693 571198344 /nfs/dbraw/zinc/19/83/44/571198344.db2.gz PKQHUWCGCPLXJG-UHFFFAOYSA-N 1 0 367.489 3.728 50 0 FHAARO O=C1CC[C@@]2(CCC[N@@H+](CCCC(F)(F)F)C2)CN1Cc1ccccn1 ZINC000072470267 571198746 /nfs/dbraw/zinc/19/87/46/571198746.db2.gz CNYNIISHTQUKSG-GOSISDBHSA-N 1 0 369.431 3.629 50 0 FHAARO O=C(c1cccc2cc[nH]c21)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072474497 571199016 /nfs/dbraw/zinc/19/90/16/571199016.db2.gz BRDLOJNZQAOUBE-UHFFFAOYSA-N 1 0 359.473 3.831 50 0 FHAARO Cc1ncc2c(c1CNC(=O)Cc1ccc(-c3ccccc3)cc1)CC[NH2+]C2 ZINC000072478678 571199527 /nfs/dbraw/zinc/19/95/27/571199527.db2.gz SGOUDYLOBQWHBK-UHFFFAOYSA-N 1 0 371.484 3.562 50 0 FHAARO Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CCN(C2CC[NH2+]CC2)C1 ZINC000075567654 571200970 /nfs/dbraw/zinc/20/09/70/571200970.db2.gz CTEWOXDULQGQGG-UHFFFAOYSA-N 1 0 374.532 3.698 50 0 FHAARO CCn1c(C[NH2+]C2CCN(C(=O)C3CCCCC3)CC2)nc2ccccc21 ZINC000054174820 571202840 /nfs/dbraw/zinc/20/28/40/571202840.db2.gz MIBNNGMHZCNKRP-UHFFFAOYSA-N 1 0 368.525 3.717 50 0 FHAARO Cc1ccccc1CN(C[C@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000534583466 571205136 /nfs/dbraw/zinc/20/51/36/571205136.db2.gz PPRHPSIFWUYSSD-HXUWFJFHSA-N 1 0 373.541 3.560 50 0 FHAARO CCn1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000077286410 571206220 /nfs/dbraw/zinc/20/62/20/571206220.db2.gz UUKOVZHLMHKTAX-FQEVSTJZSA-N 1 0 354.498 3.640 50 0 FHAARO c1ccc(OCCC[N@@H+]2CCC[C@@H]2c2nc(-c3ccccn3)no2)cc1 ZINC000077286697 571206262 /nfs/dbraw/zinc/20/62/62/571206262.db2.gz YFABOBRETJWPIS-GOSISDBHSA-N 1 0 350.422 3.738 50 0 FHAARO CCn1ncc(-c2cccc(C(=O)N(C)CC[NH+]3CCCCCC3)c2)c1C ZINC000534631162 571206637 /nfs/dbraw/zinc/20/66/37/571206637.db2.gz QPOTVMBCBHYLBE-UHFFFAOYSA-N 1 0 368.525 3.826 50 0 FHAARO Cc1ccc([C@H](CNC(=O)N(C)Cc2ccon2)[NH+]2CCC(C)CC2)cc1 ZINC000534644813 571206731 /nfs/dbraw/zinc/20/67/31/571206731.db2.gz VBGRZXAEYZJQAM-FQEVSTJZSA-N 1 0 370.497 3.598 50 0 FHAARO O=C(CCCc1ccc(Cl)cc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000077299062 571206754 /nfs/dbraw/zinc/20/67/54/571206754.db2.gz ONMZGZSZROIUKP-UHFFFAOYSA-N 1 0 371.912 3.839 50 0 FHAARO CCc1nc(-c2cccc(C(=O)N(C)C3CC[NH+](C)CC3)c2)ccc1C ZINC000534656800 571208032 /nfs/dbraw/zinc/20/80/32/571208032.db2.gz LQSGBVYVABPGAY-UHFFFAOYSA-N 1 0 351.494 3.786 50 0 FHAARO CC(C)C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1cccc1 ZINC000263587190 571210882 /nfs/dbraw/zinc/21/08/82/571210882.db2.gz DFQOSOGNDHDMIX-OAQYLSRUSA-N 1 0 353.510 3.856 50 0 FHAARO Cn1ncc(Cl)c1C(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077488212 571213330 /nfs/dbraw/zinc/21/33/30/571213330.db2.gz VYUNVKXMPXRPDA-QGZVFWFLSA-N 1 0 360.889 3.503 50 0 FHAARO Cc1nc(CC(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000077517421 571214304 /nfs/dbraw/zinc/21/43/04/571214304.db2.gz KNUANZNBKCUMQD-LJQANCHMSA-N 1 0 357.523 3.809 50 0 FHAARO CC(=O)N[C@@H]1C[N@@H+](Cc2cc3ccccc3n2C)C[C@H]1c1ccc(C)cc1 ZINC000077521024 571214555 /nfs/dbraw/zinc/21/45/55/571214555.db2.gz NDULVVMRKQYOAI-FCHUYYIVSA-N 1 0 361.489 3.591 50 0 FHAARO Cc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000426358238 571214684 /nfs/dbraw/zinc/21/46/84/571214684.db2.gz GRJCGYPNXOBZGO-OAHLLOKOSA-N 1 0 358.873 3.636 50 0 FHAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cc(-c2ccccc2)on1 ZINC000077541061 571215059 /nfs/dbraw/zinc/21/50/59/571215059.db2.gz VMBOHNMBVPBGKX-LJQANCHMSA-N 1 0 361.445 3.561 50 0 FHAARO Cc1ccc(C(=O)NC[C@H](c2cccc3ccccc32)N2CCOCC2)cc1 ZINC000023106493 571215790 /nfs/dbraw/zinc/21/57/90/571215790.db2.gz TZVBKXFPQSRRET-HSZRJFAPSA-N 1 0 374.484 3.952 50 0 FHAARO Cc1ccc(C(=O)NC[C@@H](c2cccc3ccccc32)N2CCOCC2)cc1 ZINC000023106496 571215792 /nfs/dbraw/zinc/21/57/92/571215792.db2.gz TZVBKXFPQSRRET-QHCPKHFHSA-N 1 0 374.484 3.952 50 0 FHAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1c(F)cccc1F ZINC000023128051 571217355 /nfs/dbraw/zinc/21/73/55/571217355.db2.gz PNFRFAKBQPLWTO-UHFFFAOYSA-N 1 0 350.434 3.668 50 0 FHAARO CN(C(=O)c1ccc(-c2ccc(C(=O)C3CC3)cc2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000426412358 571221906 /nfs/dbraw/zinc/22/19/06/571221906.db2.gz INKHOYLJKSTRSR-NRFANRHFSA-N 1 0 362.473 3.722 50 0 FHAARO CC(C)[NH+](CCNC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(C)C ZINC000023179756 571225393 /nfs/dbraw/zinc/22/53/93/571225393.db2.gz UBUGCEAJFMWPIA-UHFFFAOYSA-N 1 0 354.498 3.598 50 0 FHAARO O=C(NCC[NH+]1CCCC1)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC000426517810 571229702 /nfs/dbraw/zinc/22/97/02/571229702.db2.gz IAFBXMGJTPZJLY-UHFFFAOYSA-N 1 0 363.383 3.593 50 0 FHAARO O=C(NCC[NH+]1CCCC1)c1cccc(-c2ccc(-c3cnco3)cc2)c1 ZINC000426519024 571229871 /nfs/dbraw/zinc/22/98/71/571229871.db2.gz VIKIXXYHNDYBDP-UHFFFAOYSA-N 1 0 361.445 3.834 50 0 FHAARO Cc1ccc(-c2cccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2)nn1 ZINC000426535197 571230722 /nfs/dbraw/zinc/23/07/22/571230722.db2.gz PXVSLKCVQIRQIU-UHFFFAOYSA-N 1 0 364.493 3.543 50 0 FHAARO O=C(N1CC(Oc2ccc(F)cc2)C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000426584588 571232495 /nfs/dbraw/zinc/23/24/95/571232495.db2.gz DEMMJUAXTDKNAA-UHFFFAOYSA-N 1 0 360.473 3.604 50 0 FHAARO CC[N@H+](C)C[C@@H](C)CNC(=O)c1ccc(-c2ccc3[nH]cnc3c2)cc1 ZINC000426604565 571233090 /nfs/dbraw/zinc/23/30/90/571233090.db2.gz QINPQBSQRYRNBQ-HNNXBMFYSA-N 1 0 350.466 3.548 50 0 FHAARO Cc1ccccc1C(=O)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651526 571233684 /nfs/dbraw/zinc/23/36/84/571233684.db2.gz YYEUGDZPULWKSA-UHFFFAOYSA-N 1 0 351.446 3.565 50 0 FHAARO Nc1cc[nH+]cc1-c1ccc(C(=O)N(CC2CCC2)C[C@@H]2CCCO2)cc1 ZINC000426667144 571234547 /nfs/dbraw/zinc/23/45/47/571234547.db2.gz UBPJYZCRYYUDKI-IBGZPJMESA-N 1 0 365.477 3.582 50 0 FHAARO c1csc([C@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)N2CCCC2)c1 ZINC000023248930 571237531 /nfs/dbraw/zinc/23/75/31/571237531.db2.gz GJCPGPGNOJJHOW-IBGZPJMESA-N 1 0 352.507 3.861 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccc(F)cc2)C3)cc1 ZINC000091364749 571239247 /nfs/dbraw/zinc/23/92/47/571239247.db2.gz VYMZWJYGWPTZRB-FXAWDEMLSA-N 1 0 368.452 3.571 50 0 FHAARO Cc1c(C)c(=O)oc2c1ccc1c2CN(C2CC(C)(C)[NH2+]C(C)(C)C2)CO1 ZINC000006669775 571240147 /nfs/dbraw/zinc/24/01/47/571240147.db2.gz SGIZFZAHRQUHQO-UHFFFAOYSA-N 1 0 370.493 3.871 50 0 FHAARO CCC[NH2+]CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036094753 571240834 /nfs/dbraw/zinc/24/08/34/571240834.db2.gz MRHTYJRAJMDORH-SFHVURJKSA-N 1 0 358.507 3.561 50 0 FHAARO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)C)c1 ZINC000036098520 571241022 /nfs/dbraw/zinc/24/10/22/571241022.db2.gz UHNGJLQBUNGHCR-FQEVSTJZSA-N 1 0 361.457 3.622 50 0 FHAARO CCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccccc1C ZINC000036097245 571241070 /nfs/dbraw/zinc/24/10/70/571241070.db2.gz KOBZLNPRYXYQGO-LJQANCHMSA-N 1 0 373.493 3.664 50 0 FHAARO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)c1 ZINC000036098642 571241136 /nfs/dbraw/zinc/24/11/36/571241136.db2.gz WRIBMSHKKOFUAO-IBGZPJMESA-N 1 0 355.434 3.761 50 0 FHAARO COCC[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COc1ccccc1C ZINC000036097350 571241142 /nfs/dbraw/zinc/24/11/42/571241142.db2.gz MZCIBXFJFZZNEY-NRFANRHFSA-N 1 0 357.494 3.500 50 0 FHAARO CCOc1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](C)C3)cc(Cl)c1OCC ZINC000091620985 571241218 /nfs/dbraw/zinc/24/12/18/571241218.db2.gz WOIYOEAQFCAPIZ-GOEBONIOSA-N 1 0 352.906 3.663 50 0 FHAARO CCc1ccc(NC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)cc1 ZINC000064761154 571241276 /nfs/dbraw/zinc/24/12/76/571241276.db2.gz ZBNNPPNOOQGUGZ-UHFFFAOYSA-N 1 0 362.477 3.947 50 0 FHAARO Cc1ccccc1C[N@H+](C[C@H](O)COc1ccccc1C)C[C@@H]1CCCO1 ZINC000036100019 571241571 /nfs/dbraw/zinc/24/15/71/571241571.db2.gz LPBYLAZOYHYLRD-VXKWHMMOSA-N 1 0 369.505 3.724 50 0 FHAARO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccc(OC)c2)CC(C)C)cc1 ZINC000036100094 571241718 /nfs/dbraw/zinc/24/17/18/571241718.db2.gz HDKMDKUUKPMUAG-IBGZPJMESA-N 1 0 373.493 3.602 50 0 FHAARO COc1ccccc1C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C(C)C ZINC000036102861 571241978 /nfs/dbraw/zinc/24/19/78/571241978.db2.gz XUTUHUNNCZODGJ-SFHVURJKSA-N 1 0 363.885 3.999 50 0 FHAARO Cc1ccc(Cl)cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091657069 571242037 /nfs/dbraw/zinc/24/20/37/571242037.db2.gz KUBMPVXWRXSNKY-PKOBYXMFSA-N 1 0 369.896 3.780 50 0 FHAARO CC(C)c1nnc(N2CCC(c3nccn3Cc3cccnc3)CC2)s1 ZINC000091737325 571242895 /nfs/dbraw/zinc/24/28/95/571242895.db2.gz SSDACYQYWUYFSF-UHFFFAOYSA-N 1 0 368.510 3.685 50 0 FHAARO COc1c(C)cnc(CN(C)C(=O)c2ccc3cccc(F)c3n2)c1C ZINC000091737742 571242945 /nfs/dbraw/zinc/24/29/45/571242945.db2.gz OPNWFQKMQMIGIN-UHFFFAOYSA-N 1 0 353.397 3.667 50 0 FHAARO Cc1ccc(Cc2ccccc2C(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)cc1F ZINC000091737833 571243175 /nfs/dbraw/zinc/24/31/75/571243175.db2.gz KWNMQFKLFVBQTC-CTNGQTDRSA-N 1 0 352.453 3.534 50 0 FHAARO CN1CC2(CC[NH+](Cc3cccs3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091746968 571243372 /nfs/dbraw/zinc/24/33/72/571243372.db2.gz IFHFQJYLKAPUSW-LJQANCHMSA-N 1 0 354.519 3.976 50 0 FHAARO CC[N@H+](C[C@H](O)c1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146306 571243444 /nfs/dbraw/zinc/24/34/44/571243444.db2.gz JXAMYVRVCYAMKB-ICSRJNTNSA-N 1 0 358.869 3.889 50 0 FHAARO CCC[NH2+]CC(=O)Nc1scc(-c2cccs2)c1C(=O)OCC ZINC000006784898 571246428 /nfs/dbraw/zinc/24/64/28/571246428.db2.gz RBTXPEBFCGMZOW-UHFFFAOYSA-N 1 0 352.481 3.591 50 0 FHAARO C[C@H]1C[C@H](C)C[NH+](CCCn2cnc3c4cc(Cl)ccc4[nH]c3c2=O)C1 ZINC000006809348 571247655 /nfs/dbraw/zinc/24/76/55/571247655.db2.gz YAAPCIQCNOUERR-KBPBESRZSA-N 1 0 372.900 3.899 50 0 FHAARO CCC[C@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+](C)C)c1ccccc1 ZINC000006934679 571255106 /nfs/dbraw/zinc/25/51/06/571255106.db2.gz BNSDOIQSEDKUGI-LEWJYISDSA-N 1 0 354.494 3.998 50 0 FHAARO Cc1ccc(-c2cc(C(F)(F)F)nc(N3CC[N@@H+]4CCC[C@@H]4C3)n2)s1 ZINC000036613204 571257962 /nfs/dbraw/zinc/25/79/62/571257962.db2.gz MSBXETBNBKJQAR-GFCCVEGCSA-N 1 0 368.428 3.817 50 0 FHAARO Cc1c(C(=O)NCC(C)C)c(C(F)(F)F)nn1[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000036704555 571261102 /nfs/dbraw/zinc/26/11/02/571261102.db2.gz GPALNAGZUGEFOS-AWEZNQCLSA-N 1 0 374.451 3.641 50 0 FHAARO Cc1c(C(=O)NCC(C)C)c(C(F)(F)F)nn1[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000036704553 571261131 /nfs/dbraw/zinc/26/11/31/571261131.db2.gz GPALNAGZUGEFOS-CQSZACIVSA-N 1 0 374.451 3.641 50 0 FHAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1 ZINC000037170772 571265799 /nfs/dbraw/zinc/26/57/99/571265799.db2.gz KGTZRPNSOWNJBH-UHFFFAOYSA-N 1 0 354.479 3.892 50 0 FHAARO CCOC(COc1ccccc1C[N@@H+]1CCC[C@@H]1CSC)OCC ZINC000170601669 571266968 /nfs/dbraw/zinc/26/69/68/571266968.db2.gz IDKWZXRDEAHZQO-QGZVFWFLSA-N 1 0 353.528 3.792 50 0 FHAARO CC(C)[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000170613297 571267989 /nfs/dbraw/zinc/26/79/89/571267989.db2.gz BUJFHMIPUDWUEY-LJQANCHMSA-N 1 0 364.486 3.563 50 0 FHAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000010088851 571270252 /nfs/dbraw/zinc/27/02/52/571270252.db2.gz CJSGCMHMTYHVEH-SFHVURJKSA-N 1 0 352.434 3.624 50 0 FHAARO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000076021851 571273735 /nfs/dbraw/zinc/27/37/35/571273735.db2.gz GBSOZZTXUXRUSH-UTKZUKDTSA-N 1 0 368.477 3.656 50 0 FHAARO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)C1 ZINC000076060841 571274021 /nfs/dbraw/zinc/27/40/21/571274021.db2.gz QCCZNVOXSWCMMP-CQSZACIVSA-N 1 0 352.413 3.649 50 0 FHAARO c1c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)onc1-c1ccccc1 ZINC000076395777 571275278 /nfs/dbraw/zinc/27/52/78/571275278.db2.gz RNRPSHBTBBNLCS-QGZVFWFLSA-N 1 0 359.433 3.764 50 0 FHAARO CC(C)Oc1ccc(CCC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000252518109 571282174 /nfs/dbraw/zinc/28/21/74/571282174.db2.gz AALWIBVCVDKFBI-TZIWHRDSSA-N 1 0 358.526 3.787 50 0 FHAARO O=C(CSc1ccccc1F)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000007652042 571285347 /nfs/dbraw/zinc/28/53/47/571285347.db2.gz APBWPQTXLNIEIN-SFHVURJKSA-N 1 0 358.482 3.871 50 0 FHAARO Cc1ccc(C(=O)NCC(C)C)c(C2CC[NH+](Cc3ccco3)CC2)n1 ZINC000037554349 571287886 /nfs/dbraw/zinc/28/78/86/571287886.db2.gz MLXDSLCGWSWXQC-UHFFFAOYSA-N 1 0 355.482 3.748 50 0 FHAARO COc1ccccc1C[NH+]1CCC(N(C(C)=O)c2ccc(F)cc2)CC1 ZINC000037560469 571287957 /nfs/dbraw/zinc/28/79/57/571287957.db2.gz DQEHXBGQRHRDRX-UHFFFAOYSA-N 1 0 356.441 3.852 50 0 FHAARO CCN(CC)c1ccc(CNC(=O)Nc2nc3c(s2)CCCCC3)cn1 ZINC000195701068 571290063 /nfs/dbraw/zinc/29/00/63/571290063.db2.gz DLBDPYRANKQERO-UHFFFAOYSA-N 1 0 373.526 3.975 50 0 FHAARO Cc1ccc(OCCN2CCCn3nc([C@H](O)C4CCC4)cc3C2)cc1C ZINC000230568730 571309507 /nfs/dbraw/zinc/30/95/07/571309507.db2.gz LJMOYGKUWLQMBP-JOCHJYFZSA-N 1 0 369.509 3.618 50 0 FHAARO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2c(F)cccc2F)n1 ZINC000253429654 571313249 /nfs/dbraw/zinc/31/32/49/571313249.db2.gz OECBPEJCMMUPGC-XJKSGUPXSA-N 1 0 364.392 3.831 50 0 FHAARO COc1ccc([C@@H](C)NC(=O)N2CC[NH+](CC3CCCC3)CC2)cc1C ZINC000584898707 571315875 /nfs/dbraw/zinc/31/58/75/571315875.db2.gz ISNIHEKTYUYQDZ-QGZVFWFLSA-N 1 0 359.514 3.582 50 0 FHAARO CC[N@@H+]1CCCN(C(=O)c2ccc(-c3ccc(O)c(C)c3C)cc2)CC1 ZINC000584898933 571315921 /nfs/dbraw/zinc/31/59/21/571315921.db2.gz SXJMKKPEKBIOGI-UHFFFAOYSA-N 1 0 352.478 3.844 50 0 FHAARO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000007941395 571322497 /nfs/dbraw/zinc/32/24/97/571322497.db2.gz VUIZHDWBTAERCC-UHFFFAOYSA-N 1 0 356.441 3.750 50 0 FHAARO O=C(Cn1ccc2c1cccc2Cl)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079190306 571327209 /nfs/dbraw/zinc/32/72/09/571327209.db2.gz JOQAECZPCJTBBX-MAUKXSAKSA-N 1 0 359.901 3.675 50 0 FHAARO Cc1[nH]c2c(cc(Cl)cc2C)c1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000027926978 571327766 /nfs/dbraw/zinc/32/77/66/571327766.db2.gz CITTUADNDJQQPZ-UHFFFAOYSA-N 1 0 355.869 3.869 50 0 FHAARO CCOCc1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000467950088 571327921 /nfs/dbraw/zinc/32/79/21/571327921.db2.gz UMUVAKRVKRWAFK-HXUWFJFHSA-N 1 0 367.493 3.867 50 0 FHAARO O[C@@H](C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000020218761 571328616 /nfs/dbraw/zinc/32/86/16/571328616.db2.gz UZMHUUVQFJTFET-SFHVURJKSA-N 1 0 351.277 3.849 50 0 FHAARO COc1cccc(OC)c1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000095435783 571329588 /nfs/dbraw/zinc/32/95/88/571329588.db2.gz VMSJZEUHXMUBOJ-MJGOQNOKSA-N 1 0 354.494 3.847 50 0 FHAARO C[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000095467023 571330511 /nfs/dbraw/zinc/33/05/11/571330511.db2.gz FURPSVXUKJUJOT-YGRLFVJLSA-N 1 0 361.795 3.917 50 0 FHAARO C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C1=CC[N@H+](C)CC1 ZINC000095469129 571330564 /nfs/dbraw/zinc/33/05/64/571330564.db2.gz IFEOENAXJJTITD-CQSZACIVSA-N 1 0 352.503 3.894 50 0 FHAARO C[C@@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)N1CCCC1 ZINC000056153316 571339535 /nfs/dbraw/zinc/33/95/35/571339535.db2.gz MJZSZDOPEMSOLN-DLBZAZTESA-N 1 0 365.477 3.600 50 0 FHAARO C[NH+](C)CCCNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000002890595 571341569 /nfs/dbraw/zinc/34/15/69/571341569.db2.gz RPOBRJCJRZVLDJ-UHFFFAOYSA-N 1 0 351.425 3.722 50 0 FHAARO C[C@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCOc3c(Cl)cccc32)C1 ZINC000056805549 571341750 /nfs/dbraw/zinc/34/17/50/571341750.db2.gz OOFAAMJQGUBCBW-WMLDXEAASA-N 1 0 365.905 3.585 50 0 FHAARO CCc1ccccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000002934113 571341978 /nfs/dbraw/zinc/34/19/78/571341978.db2.gz GQCNBZQQPVCXCZ-INIZCTEOSA-N 1 0 356.539 3.966 50 0 FHAARO Cc1cc([C@H]2CCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000057154925 571342408 /nfs/dbraw/zinc/34/24/08/571342408.db2.gz MLWJYMKFAJQRJS-AZUAARDMSA-N 1 0 353.466 3.559 50 0 FHAARO COc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCC3)cc1 ZINC000002966414 571343061 /nfs/dbraw/zinc/34/30/61/571343061.db2.gz SOJSJZGUXBEXFU-HXUWFJFHSA-N 1 0 357.861 3.609 50 0 FHAARO CCc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)cc1 ZINC000003049874 571344221 /nfs/dbraw/zinc/34/42/21/571344221.db2.gz MAKMMGWLCYRFCU-INIZCTEOSA-N 1 0 356.539 3.966 50 0 FHAARO CCC[C@H]([NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 ZINC000230219185 571344732 /nfs/dbraw/zinc/34/47/32/571344732.db2.gz WVTLVYLGWZLITL-BZSNNMDCSA-N 1 0 371.930 3.507 50 0 FHAARO C[C@H](NC(=S)NCCc1ccccc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211443 571345582 /nfs/dbraw/zinc/34/55/82/571345582.db2.gz NRQMKRQAOPNFFE-LPHOPBHVSA-N 1 0 373.591 3.980 50 0 FHAARO COc1cccc(CN(CC(C)C)C(=O)NC[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000670441184 571348585 /nfs/dbraw/zinc/34/85/85/571348585.db2.gz ILEUAZJPRSKSIO-LJQANCHMSA-N 1 0 361.530 3.736 50 0 FHAARO CC(=O)Nc1ccc2nc(C[N@H+](CC3CCC3)C[C@H]3CCCO3)ccc2c1 ZINC000670445413 571350177 /nfs/dbraw/zinc/35/01/77/571350177.db2.gz AWMFXEBGLBJGTM-OAQYLSRUSA-N 1 0 367.493 3.974 50 0 FHAARO O=S(=O)(Cc1ccc(Cl)cc1)NCC1([NH+]2CCCCC2)CCCC1 ZINC000670447985 571351848 /nfs/dbraw/zinc/35/18/48/571351848.db2.gz VQXYKQSQDMUVPG-UHFFFAOYSA-N 1 0 370.946 3.558 50 0 FHAARO CCCCCc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(=O)o1 ZINC000004028787 571354255 /nfs/dbraw/zinc/35/42/55/571354255.db2.gz IBTXHLUOGHLSCI-QFBILLFUSA-N 1 0 361.482 3.794 50 0 biogenic FHAARO O[C@@]1(c2ccc(OC(F)F)cc2)CN(c2ccccc2)C2=[N+]1CCCCC2 ZINC000004086841 571354970 /nfs/dbraw/zinc/35/49/70/571354970.db2.gz QKOXMBDDYDGCGF-OAQYLSRUSA-N 1 0 373.423 3.938 50 0 FHAARO COc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)cc1 ZINC000004086882 571354982 /nfs/dbraw/zinc/35/49/82/571354982.db2.gz JYFVTDPCCHUYGQ-NRFANRHFSA-N 1 0 371.888 3.999 50 0 FHAARO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1nc(C(C)(C)C)no1 ZINC000066390338 571358538 /nfs/dbraw/zinc/35/85/38/571358538.db2.gz ANCIWKSEIVPEBZ-AWEZNQCLSA-N 1 0 361.461 3.905 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Cc2cccs2)[NH+]2CCCCC2)cc1 ZINC000008131820 571359320 /nfs/dbraw/zinc/35/93/20/571359320.db2.gz XNSCESHYFLWCGQ-LJQANCHMSA-N 1 0 358.507 3.643 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)n(C4CC4)c3C)cc2)CC1 ZINC000008164528 571359653 /nfs/dbraw/zinc/35/96/53/571359653.db2.gz HVPFADKLRYHIOX-UHFFFAOYSA-N 1 0 366.509 3.834 50 0 FHAARO CC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)[C@H]1CCOC(C)(C)C1 ZINC000289693778 930820151 /nfs/dbraw/zinc/82/01/51/930820151.db2.gz HANJRVWWSMQBLN-ZDUSSCGKSA-N 1 0 351.397 3.794 50 0 FHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3ccsc3)C2)cc1OC ZINC000022913289 935448531 /nfs/dbraw/zinc/44/85/31/935448531.db2.gz KBMCMHIKTBONTO-LJQANCHMSA-N 1 0 374.550 3.904 50 0 FHAARO Cc1nc(CCC(=O)Nc2cc(C[NH+](C)C)ccn2)oc1-c1ccccc1 ZINC000176921582 938996021 /nfs/dbraw/zinc/99/60/21/938996021.db2.gz QDKBJIPTSSLPDB-UHFFFAOYSA-N 1 0 364.449 3.678 50 0 FHAARO CCC[N@H+](CC(=O)NCc1cccs1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000076019812 938996198 /nfs/dbraw/zinc/99/61/98/938996198.db2.gz ZKWOVTREISEHSD-MSOLQXFVSA-N 1 0 364.555 3.814 50 0 FHAARO CCC[N@H+](CC(=O)NCc1cccs1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000076019815 938996220 /nfs/dbraw/zinc/99/62/20/938996220.db2.gz ZKWOVTREISEHSD-ROUUACIJSA-N 1 0 364.555 3.814 50 0 FHAARO C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)OCO2 ZINC000177323702 940115791 /nfs/dbraw/zinc/11/57/91/940115791.db2.gz ACKQTSUYDCTJBW-HNNXBMFYSA-N 1 0 373.497 3.573 50 0 FHAARO c1cc(CN2CCC([N@H+]3C[C@H](OCC4CC4)C34CCCCC4)CC2)ccn1 ZINC000581802440 940610712 /nfs/dbraw/zinc/61/07/12/940610712.db2.gz KGZYQVWMPRUGNF-QFIPXVFZSA-N 1 0 369.553 3.860 50 0 FHAARO COc1ccc(CNC(=O)N2CCC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)cc1 ZINC000581806131 940614034 /nfs/dbraw/zinc/61/40/34/940614034.db2.gz LTAASHSVDXKXCZ-GOSISDBHSA-N 1 0 368.481 3.624 50 0 FHAARO CCOC(=O)c1c(C)oc2c1c(O)c(OC)c(Cl)c2C[NH2+]C(C)C ZINC000023549784 940643838 /nfs/dbraw/zinc/64/38/38/940643838.db2.gz BAVPVUXKZPRPER-UHFFFAOYSA-N 1 0 355.818 3.784 50 0 FHAARO CCCOC(C(=O)O[C@@H](C)C[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000003683408 941115313 /nfs/dbraw/zinc/11/53/13/941115313.db2.gz NBQZLIUNPAFZKM-SFHVURJKSA-N 1 0 355.478 3.850 50 0 FHAARO c1cc2c(ncnc2-c2cccc(-c3ccn(C[C@H]4CC[NH2+]C4)n3)c2)s1 ZINC000020877871 941907839 /nfs/dbraw/zinc/90/78/39/941907839.db2.gz FFOLNULGTIPMSS-AWEZNQCLSA-N 1 0 361.474 3.831 50 0 FHAARO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CN3CCCC3=O)cc1)CC2 ZINC000128487269 942028230 /nfs/dbraw/zinc/02/82/30/942028230.db2.gz UDMQAMBURVTVJU-OAQYLSRUSA-N 1 0 350.462 3.595 50 0 FHAARO Cc1nnc([C@@H]2CC[N@H+](Cc3ccccc3)CCN2Cc2ccccc2)[nH]1 ZINC000675013316 943614202 /nfs/dbraw/zinc/61/42/02/943614202.db2.gz JHBUUKDMGFOEBW-NRFANRHFSA-N 1 0 361.493 3.562 50 0 FHAARO CNC(=O)c1ccc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000066871885 945889897 /nfs/dbraw/zinc/88/98/97/945889897.db2.gz HSHTTZMDMWZJMQ-UHFFFAOYSA-N 1 0 363.436 3.956 50 0 FHAARO CCOc1ccc([N+]2=C3CCCCCN3[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000000624138 210251282 /nfs/dbraw/zinc/25/12/82/210251282.db2.gz JRPQWXUANQUDOC-JOCHJYFZSA-N 1 0 369.460 3.875 50 0 FHAARO O=C(/C=C\c1cccc(Cl)c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000096401235 210238947 /nfs/dbraw/zinc/23/89/47/210238947.db2.gz LLGKAMBWLFDMKX-FPLPWBNLSA-N 1 0 362.901 3.505 50 0 FHAARO Cc1nc2ccccc2nc1CN1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000215643197 222651870 /nfs/dbraw/zinc/65/18/70/222651870.db2.gz LDTMAODFTUIWQM-UHFFFAOYSA-N 1 0 372.516 3.613 50 0 FHAARO Cc1ccc(-n2cc(C[NH+]3CCC(OCc4ccccn4)CC3)cn2)cc1 ZINC000216091518 222658867 /nfs/dbraw/zinc/65/88/67/222658867.db2.gz BSWZBHYLTOIGNT-UHFFFAOYSA-N 1 0 362.477 3.757 50 0 FHAARO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)ccc1OCc1c(C)noc1C ZINC000030908427 210168441 /nfs/dbraw/zinc/16/84/41/210168441.db2.gz GIKJWFLRUICSBJ-KSSFIOAISA-N 1 0 360.454 3.536 50 0 FHAARO C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)cc1 ZINC000057336088 210070749 /nfs/dbraw/zinc/07/07/49/210070749.db2.gz ULSQLSFNWHWFCZ-ZDUSSCGKSA-N 1 0 371.868 3.522 50 0 FHAARO CCc1nccn1Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299796015 210035444 /nfs/dbraw/zinc/03/54/44/210035444.db2.gz LNZRHWNRAWSBNN-KSZLIROESA-N 1 0 363.465 3.570 50 0 FHAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000299786673 210029007 /nfs/dbraw/zinc/02/90/07/210029007.db2.gz NZGFHERHNABIOW-SFHVURJKSA-N 1 0 358.869 3.875 50 0 FHAARO COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)s1 ZINC000299782635 210027134 /nfs/dbraw/zinc/02/71/34/210027134.db2.gz FVEHJIYFNVAJSL-AWEZNQCLSA-N 1 0 370.478 3.890 50 0 FHAARO O=C(NCCc1ccccc1F)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299784531 210026919 /nfs/dbraw/zinc/02/69/19/210026919.db2.gz XJQVWLSLXHXSSZ-TYPHKJRUSA-N 1 0 352.453 3.710 50 0 FHAARO C[C@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)Cc2ccccc2O1 ZINC000299784796 210026284 /nfs/dbraw/zinc/02/62/84/210026284.db2.gz UUXLRHOTCARBJH-IBGZPJMESA-N 1 0 350.506 3.977 50 0 FHAARO CC(C)(C(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299782224 210025308 /nfs/dbraw/zinc/02/53/08/210025308.db2.gz ISLCFLPWBFZUTL-SFHVURJKSA-N 1 0 357.885 3.815 50 0 FHAARO O=C(Nc1cccc(/C=C/c2ccccn2)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000299775484 210021844 /nfs/dbraw/zinc/02/18/44/210021844.db2.gz KBLQKIJTOOZHDV-BQYQJAHWSA-N 1 0 362.477 3.859 50 0 FHAARO CCOCC1(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CCC1 ZINC000299768060 210017731 /nfs/dbraw/zinc/01/77/31/210017731.db2.gz HPBQSGNLWNCFOF-ZCNNSNEGSA-N 1 0 356.510 3.535 50 0 FHAARO CCCC[C@H]1C[N@H+](CCC(=O)NCc2ccncc2)Cc2ccccc2O1 ZINC000299768563 210017461 /nfs/dbraw/zinc/01/74/61/210017461.db2.gz OJSWTMBMWOFPPZ-FQEVSTJZSA-N 1 0 367.493 3.541 50 0 FHAARO C[C@H](c1ccc(C(=O)NCc2nc3cc(F)ccc3[nH]2)o1)[NH+]1CCCCC1 ZINC000299772650 210018170 /nfs/dbraw/zinc/01/81/70/210018170.db2.gz AVICPKOHOUVWGB-CYBMUJFWSA-N 1 0 370.428 3.772 50 0 FHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)cc1 ZINC000299766565 210015340 /nfs/dbraw/zinc/01/53/40/210015340.db2.gz FHUOTPYWOMIFKY-SFHVURJKSA-N 1 0 355.482 3.774 50 0 FHAARO CSCc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)o1 ZINC000299764035 210013217 /nfs/dbraw/zinc/01/32/17/210013217.db2.gz QVZSKROXGFHRDK-MRXNPFEDSA-N 1 0 358.507 3.670 50 0 FHAARO Cc1nc([C@H](C)NC(=O)CC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000299757735 210007996 /nfs/dbraw/zinc/00/79/96/210007996.db2.gz JBUDANRKLUXXLT-HNNXBMFYSA-N 1 0 357.523 3.931 50 0 FHAARO CCn1c(C)cc2cc(NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)ccc21 ZINC000299758743 210011653 /nfs/dbraw/zinc/01/16/53/210011653.db2.gz LJOYIEXNPUJXHR-LJQANCHMSA-N 1 0 372.513 3.544 50 0 FHAARO CCc1oc(C(=O)N[C@@H](C)c2cn3ccsc3n2)cc1C[NH+](CC)CC ZINC000299758603 210010395 /nfs/dbraw/zinc/01/03/95/210010395.db2.gz JTRLTRBXDKYAFW-ZDUSSCGKSA-N 1 0 374.510 3.884 50 0 FHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2Nc2cccc(OC)c2)C1 ZINC000237061377 222904522 /nfs/dbraw/zinc/90/45/22/222904522.db2.gz CKPDTHLXKUUDNO-MRXNPFEDSA-N 1 0 353.466 3.510 50 0 FHAARO CC(=O)Nc1ccc(NC(=O)C2=CC[N@H+](Cc3cccc(C)c3)CC2)cc1 ZINC000064818019 212045009 /nfs/dbraw/zinc/04/50/09/212045009.db2.gz SEECRMGFNROSKC-UHFFFAOYSA-N 1 0 363.461 3.724 50 0 FHAARO C[C@H](CCNC(=O)c1csc(-c2ccncc2)n1)[NH+]1CCCCCC1 ZINC000064667437 212042231 /nfs/dbraw/zinc/04/22/31/212042231.db2.gz UJEVQOJMJVRTEJ-OAHLLOKOSA-N 1 0 358.511 3.590 50 0 FHAARO Cc1cccn2c(=O)cc(C[N@@H+](Cc3ccc(F)cc3)CC(C)C)nc12 ZINC000064590796 212040083 /nfs/dbraw/zinc/04/00/83/212040083.db2.gz DHWDKOCEOVQZPM-UHFFFAOYSA-N 1 0 353.441 3.800 50 0 FHAARO O=C(Cc1cccc2cccnc21)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000062228466 212030606 /nfs/dbraw/zinc/03/06/06/212030606.db2.gz AHPIVTMQWASLSJ-JOCHJYFZSA-N 1 0 373.500 3.948 50 0 FHAARO CC1(C)CC(NC(=O)c2ccc(Br)cc2F)CC(C)(C)[NH2+]1 ZINC000012679972 220016457 /nfs/dbraw/zinc/01/64/57/220016457.db2.gz WZRXPFOILYTQEA-UHFFFAOYSA-N 1 0 357.267 3.627 50 0 FHAARO CCOc1cccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000058392102 212007873 /nfs/dbraw/zinc/00/78/73/212007873.db2.gz CDYUKUCEKNDUPP-UHFFFAOYSA-N 1 0 359.514 3.539 50 0 FHAARO C[C@@H](Oc1ccc(F)cc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000058406540 212010007 /nfs/dbraw/zinc/01/00/07/212010007.db2.gz GCETYUBJPHPJHF-MRXNPFEDSA-N 1 0 362.489 3.754 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1 ZINC000058392060 212007243 /nfs/dbraw/zinc/00/72/43/212007243.db2.gz XKCHHXMFCOSZDL-HXUWFJFHSA-N 1 0 353.441 3.659 50 0 FHAARO C[C@@H]1CCC[C@@](CNC(=O)Nc2ccccc2-n2cccn2)([NH+](C)C)C1 ZINC000058368943 212006022 /nfs/dbraw/zinc/00/60/22/212006022.db2.gz BOJRSZWIBSVOIL-OXQOHEQNSA-N 1 0 355.486 3.504 50 0 FHAARO Cc1nnc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000058299291 212003439 /nfs/dbraw/zinc/00/34/39/212003439.db2.gz PYNFYXQETPYSGB-UHFFFAOYSA-N 1 0 359.499 3.544 50 0 FHAARO O=C(Cc1c[nH]c2ccccc12)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000058193216 211992122 /nfs/dbraw/zinc/99/21/22/211992122.db2.gz VBSAEASNAFMPSN-UHFFFAOYSA-N 1 0 367.518 3.800 50 0 FHAARO CCCCc1ccc(NC(=O)N2CCN(Cc3ccncc3)CC2)cc1 ZINC000013324988 220063494 /nfs/dbraw/zinc/06/34/94/220063494.db2.gz WGBWDNZIHUZHSS-UHFFFAOYSA-N 1 0 352.482 3.774 50 0 FHAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000013325230 220064019 /nfs/dbraw/zinc/06/40/19/220064019.db2.gz IIAFMYJXNKGSGF-UHFFFAOYSA-N 1 0 353.422 3.698 50 0 FHAARO COC(=O)c1ccsc1NC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000013325256 220064076 /nfs/dbraw/zinc/06/40/76/220064076.db2.gz KFUHHLDVSJLUFE-UHFFFAOYSA-N 1 0 359.451 3.775 50 0 FHAARO Brc1ccc(OCCSC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000014196658 220115504 /nfs/dbraw/zinc/11/55/04/220115504.db2.gz PPILQTAUVKFEMP-ZIAGYGMSSA-N 1 0 355.301 3.832 50 0 FHAARO C[NH2+]C[C@@H]1CCN(C(=O)Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000299740459 211809470 /nfs/dbraw/zinc/80/94/70/211809470.db2.gz ZZVHGFUNQWDUDF-KRWDZBQOSA-N 1 0 372.896 3.529 50 0 FHAARO Brc1ccc(OCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042772164 211781960 /nfs/dbraw/zinc/78/19/60/211781960.db2.gz KTFIXTSUYXCLMV-SNVBAGLBSA-N 1 0 363.093 3.980 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OC(F)F)cc1)c1ccsc1 ZINC000040103161 211723113 /nfs/dbraw/zinc/72/31/13/211723113.db2.gz SSGFIYMSVKOZKD-CQSZACIVSA-N 1 0 355.410 3.774 50 0 FHAARO COc1cccc([C@H](CNC(=O)CCCc2ccccc2)[NH+]2CCCC2)c1 ZINC000040107426 211485356 /nfs/dbraw/zinc/48/53/56/211485356.db2.gz VATJZIFLHDDRNA-QFIPXVFZSA-N 1 0 366.505 3.971 50 0 FHAARO Cc1c(C(=O)NCC2([NH+](C)C)CCCCCC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000025443488 211430933 /nfs/dbraw/zinc/43/09/33/211430933.db2.gz SNIIDIFYCGIGLC-UHFFFAOYSA-N 1 0 373.541 3.863 50 0 FHAARO O=C(CCn1cccn1)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012298942 211399139 /nfs/dbraw/zinc/39/91/39/211399139.db2.gz DFDFCOHMTQGGMR-JOCHJYFZSA-N 1 0 372.557 3.558 50 0 FHAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000023865543 211396289 /nfs/dbraw/zinc/39/62/89/211396289.db2.gz ATNZZMDJACAXLK-QGZVFWFLSA-N 1 0 368.506 3.583 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)CCn1ccc2ccccc21)c1cccc(F)c1 ZINC000022682757 211360619 /nfs/dbraw/zinc/36/06/19/211360619.db2.gz SEVMMMOAHYTMMR-FQEVSTJZSA-N 1 0 353.441 3.590 50 0 FHAARO O=C(CC[NH+]1CCN(Cc2ccco2)CC1)Nc1cccc2ccccc21 ZINC000022931232 211371614 /nfs/dbraw/zinc/37/16/14/211371614.db2.gz FFPPBIONPXHPKW-UHFFFAOYSA-N 1 0 363.461 3.579 50 0 FHAARO CCc1cccc2c(C[NH2+]C[C@H](c3cccs3)N3CCOCC3)c[nH]c21 ZINC000022933689 211371737 /nfs/dbraw/zinc/37/17/37/211371737.db2.gz QKPVZMCWTWLCFT-LJQANCHMSA-N 1 0 369.534 3.955 50 0 FHAARO COc1cc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)ccc1O ZINC000022920033 211370718 /nfs/dbraw/zinc/37/07/18/211370718.db2.gz INLJMEBAZMIZQM-FQEVSTJZSA-N 1 0 354.494 3.540 50 0 FHAARO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCC[NH+]3CCCCC3)c2c1 ZINC000021934789 211332871 /nfs/dbraw/zinc/33/28/71/211332871.db2.gz FVNHYLBCNHOFEZ-UHFFFAOYSA-N 1 0 374.488 3.821 50 0 FHAARO COc1cc([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)cc(OC)c1O ZINC000021658074 211318389 /nfs/dbraw/zinc/31/83/89/211318389.db2.gz AEQOKEOEVQQYRD-KRWDZBQOSA-N 1 0 358.825 3.779 50 0 FHAARO COc1ccc(-c2noc(NCCC[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000021158344 211309990 /nfs/dbraw/zinc/30/99/90/211309990.db2.gz YDAGVCFPHIQTFU-UHFFFAOYSA-N 1 0 364.449 3.606 50 0 FHAARO COc1ccc(CC(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)cc1 ZINC000021170947 211309906 /nfs/dbraw/zinc/30/99/06/211309906.db2.gz PDCRVGCUNMFCMT-FQEVSTJZSA-N 1 0 358.526 3.885 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000020907678 211299121 /nfs/dbraw/zinc/29/91/21/211299121.db2.gz APCXSKTWNJOYMZ-GOSISDBHSA-N 1 0 368.431 3.719 50 0 FHAARO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000020889881 211298874 /nfs/dbraw/zinc/29/88/74/211298874.db2.gz HTSFQMGWGDZHHM-SFHVURJKSA-N 1 0 355.457 3.820 50 0 FHAARO FC(F)(F)c1ccc(-c2n[nH]c3c2C[N@@H+](C2CCOCC2)CC3)cc1 ZINC000020859910 211296730 /nfs/dbraw/zinc/29/67/30/211296730.db2.gz DXZNJVGWXMKMPP-UHFFFAOYSA-N 1 0 351.372 3.633 50 0 FHAARO CCn1cc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c2ccccc21 ZINC000020777185 211295108 /nfs/dbraw/zinc/29/51/08/211295108.db2.gz MBHCQSMJKWQEDM-IBGZPJMESA-N 1 0 357.542 3.576 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575536 211288193 /nfs/dbraw/zinc/28/81/93/211288193.db2.gz IQWDJJDOKXCIGZ-OAHLLOKOSA-N 1 0 350.466 3.710 50 0 FHAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]Cc2cccn2-c2nccs2)C1 ZINC000020537916 211285843 /nfs/dbraw/zinc/28/58/43/211285843.db2.gz FYLYTVCAAURPON-QGZVFWFLSA-N 1 0 370.497 3.827 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C(=O)OC)cc1)[NH2+]CC2 ZINC000020506962 211282839 /nfs/dbraw/zinc/28/28/39/211282839.db2.gz AQYLPVYLPZDSNJ-HXUWFJFHSA-N 1 0 355.434 3.506 50 0 FHAARO C[C@H]1C[NH+](C2CCN(Cc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000019888857 211259480 /nfs/dbraw/zinc/25/94/80/211259480.db2.gz DYJBIBUZEQQEMP-GJZGRUSLSA-N 1 0 367.331 3.523 50 0 FHAARO c1ccc(-c2noc(CN[C@@H]3CCC[N@H+](CC4CCCCC4)C3)n2)cc1 ZINC000019742290 211253524 /nfs/dbraw/zinc/25/35/24/211253524.db2.gz LOUPIGUGVHYMBO-LJQANCHMSA-N 1 0 354.498 3.871 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CCCN2CCc3ccccc32)c(F)c1 ZINC000019224803 211206408 /nfs/dbraw/zinc/20/64/08/211206408.db2.gz HCAXXZSKRAOSHU-UHFFFAOYSA-N 1 0 368.431 3.897 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2C)[NH+]2CCC(C)CC2)o1 ZINC000015860293 211146842 /nfs/dbraw/zinc/14/68/42/211146842.db2.gz UPRODHQMQDCDDT-IBGZPJMESA-N 1 0 370.493 3.865 50 0 FHAARO CC[NH+](CC)CCn1c(C)c(C)c2c3nc(-c4cccs4)nn3cnc21 ZINC000015842396 211146416 /nfs/dbraw/zinc/14/64/16/211146416.db2.gz BORWKYVFUHYCFQ-UHFFFAOYSA-N 1 0 368.510 3.766 50 0 FHAARO O=C(Nc1ccccc1F)c1cnn(-c2ccccc2)c1C1CC[NH2+]CC1 ZINC000015772698 211141795 /nfs/dbraw/zinc/14/17/95/211141795.db2.gz CSUBJLPSKVBGCD-UHFFFAOYSA-N 1 0 364.424 3.731 50 0 FHAARO O=C(C[NH2+][C@H]1CCCc2ccccc21)N(Cc1ccco1)CC(F)(F)F ZINC000016046923 211153866 /nfs/dbraw/zinc/15/38/66/211153866.db2.gz LRZQMUWERGCEIB-KRWDZBQOSA-N 1 0 366.383 3.838 50 0 FHAARO CCC[C@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1 ZINC000015679381 211137733 /nfs/dbraw/zinc/13/77/33/211137733.db2.gz JKZFWEAIBBPKCX-KRWDZBQOSA-N 1 0 354.498 3.640 50 0 FHAARO O=C1N(CCCc2ccccc2)CCC[C@]12CC[N@H+](Cc1cccnc1)C2 ZINC000015074930 211119124 /nfs/dbraw/zinc/11/91/24/211119124.db2.gz SSGHANFMUKLQBS-HSZRJFAPSA-N 1 0 363.505 3.529 50 0 FHAARO COc1cc(C(=O)NCCC2=CCCCC2)ccc1OC1CC[NH+](C)CC1 ZINC000015065107 211117997 /nfs/dbraw/zinc/11/79/97/211117997.db2.gz DKRFRXJNYZWFFS-UHFFFAOYSA-N 1 0 372.509 3.789 50 0 FHAARO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCCC[C@H]3CO)ccc2c1 ZINC000015066600 211117200 /nfs/dbraw/zinc/11/72/00/211117200.db2.gz KIKWUSFEOLOLQQ-IBGZPJMESA-N 1 0 351.450 3.585 50 0 FHAARO CCn1ccnc1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000015066891 211116868 /nfs/dbraw/zinc/11/68/68/211116868.db2.gz XHFQPTPHBSTGHF-OAQYLSRUSA-N 1 0 356.489 3.530 50 0 FHAARO C[N@@H+]1CCC[C@@H](COc2cccc(CN(C(=O)c3ccco3)C3CC3)c2)C1 ZINC000014995099 211113172 /nfs/dbraw/zinc/11/31/72/211113172.db2.gz VEPWEQFRBNIMPF-GOSISDBHSA-N 1 0 368.477 3.805 50 0 FHAARO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](C2CCOCC2)CC1 ZINC000014962659 211107975 /nfs/dbraw/zinc/10/79/75/211107975.db2.gz VONHFAXOCKFQFE-UHFFFAOYSA-N 1 0 365.901 3.707 50 0 FHAARO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000014949310 211106447 /nfs/dbraw/zinc/10/64/47/211106447.db2.gz BIBQMVBYPLQZMF-OAHLLOKOSA-N 1 0 355.825 3.971 50 0 FHAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2Cc1ccccc1 ZINC000014754639 211100727 /nfs/dbraw/zinc/10/07/27/211100727.db2.gz ZNLIKVLNQXUOCE-SFHVURJKSA-N 1 0 371.525 3.740 50 0 FHAARO COc1ccc(-c2cc3ncnc(N4CCC[N@H+](C)CC4)c3s2)cc1 ZINC000014199194 211085632 /nfs/dbraw/zinc/08/56/32/211085632.db2.gz KUVGCOHZJOSYAC-UHFFFAOYSA-N 1 0 354.479 3.509 50 0 FHAARO C[C@@H]([NH2+]C1c2ccccc2-c2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000013986986 211065750 /nfs/dbraw/zinc/06/57/50/211065750.db2.gz QWEDRIVILCSXJX-CQSZACIVSA-N 1 0 364.470 3.755 50 0 FHAARO CC[C@H](C)[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013731405 211054167 /nfs/dbraw/zinc/05/41/67/211054167.db2.gz OZKZBYCYAOYQDN-INIZCTEOSA-N 1 0 356.466 3.909 50 0 FHAARO COc1cc(C[NH2+]CCC(C)C)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717788 211052627 /nfs/dbraw/zinc/05/26/27/211052627.db2.gz RRBIOXQRSSMNBV-UHFFFAOYSA-N 1 0 367.453 3.599 50 0 FHAARO CCC(C)(C)[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013717790 211051610 /nfs/dbraw/zinc/05/16/10/211051610.db2.gz RXKWBXALNMBHOV-UHFFFAOYSA-N 1 0 367.453 3.741 50 0 FHAARO CC[NH+]1CCC2(CC1)OCCN2C(=O)c1oc2cc(C)cc(C)c2c1C ZINC000013722501 211051393 /nfs/dbraw/zinc/05/13/93/211051393.db2.gz APSWBFTVGGNBFY-UHFFFAOYSA-N 1 0 356.466 3.642 50 0 FHAARO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[NH+]2CCC(C)CC2)cs1 ZINC000013006325 211019367 /nfs/dbraw/zinc/01/93/67/211019367.db2.gz MWMFDUIBJVIZJY-UHFFFAOYSA-N 1 0 355.507 3.740 50 0 FHAARO COc1cccc([C@@H](CNC(=O)Nc2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000012984519 211015719 /nfs/dbraw/zinc/01/57/19/211015719.db2.gz XPOYLCLDWNIYKU-LJQANCHMSA-N 1 0 357.429 3.793 50 0 FHAARO O=C(Nc1ccccc1O)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000012911393 211007511 /nfs/dbraw/zinc/00/75/11/211007511.db2.gz JOEXIZSETGBZRN-UHFFFAOYSA-N 1 0 374.868 3.775 50 0 FHAARO COc1cccc([C@@H](CNC(=O)Nc2ccccc2F)[NH+]2CCCC2)c1 ZINC000012977114 211013060 /nfs/dbraw/zinc/01/30/60/211013060.db2.gz IMJYVEIXGJZFEP-LJQANCHMSA-N 1 0 357.429 3.793 50 0 FHAARO COc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1OC ZINC000012746489 210985831 /nfs/dbraw/zinc/98/58/31/210985831.db2.gz WMMAAFDDJQAEQS-UHFFFAOYSA-N 1 0 368.477 3.620 50 0 FHAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccccn2)CC1 ZINC000012307955 210939175 /nfs/dbraw/zinc/93/91/75/210939175.db2.gz SEYMMHZNPZEAEB-UHFFFAOYSA-N 1 0 368.477 3.696 50 0 FHAARO Cc1occc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011661562 210887772 /nfs/dbraw/zinc/88/77/72/210887772.db2.gz JXGVHKIMGWWFJV-FQEVSTJZSA-N 1 0 374.525 3.864 50 0 FHAARO O=C1C[C@H]([NH+]2CCCCCC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000004978401 210587799 /nfs/dbraw/zinc/58/77/99/210587799.db2.gz WCBMDQNIJDCMCI-FQEVSTJZSA-N 1 0 364.445 3.987 50 0 FHAARO CCc1ccccc1NC(=S)N1CCC([N@H+](C)C[C@H]2CCCO2)CC1 ZINC000003058310 210447710 /nfs/dbraw/zinc/44/77/10/210447710.db2.gz IEHPNLKEYRRHGJ-GOSISDBHSA-N 1 0 361.555 3.521 50 0 FHAARO CSc1nc2sc3c(c2c(NCCC[NH+](C)C)n1)CC(C)(C)OC3 ZINC000002424469 210398420 /nfs/dbraw/zinc/39/84/20/210398420.db2.gz LMVRNLLYGBJTSY-UHFFFAOYSA-N 1 0 366.556 3.628 50 0 FHAARO CCn1c2ccc(F)cc2c2nnc(SCC[NH+]3CCCCC3)nc21 ZINC000002324843 210392155 /nfs/dbraw/zinc/39/21/55/210392155.db2.gz JEUZKQDHFSTYJA-UHFFFAOYSA-N 1 0 359.474 3.717 50 0 aggregator FHAARO CC(C)Cc1nc2oc3c(ncnc3NCC[NH+](C)C)c2c2c1CCCC2 ZINC000002206642 210383384 /nfs/dbraw/zinc/38/33/84/210383384.db2.gz KXOLEWMPZQQPDO-UHFFFAOYSA-N 1 0 367.497 3.822 50 0 FHAARO CC[NH+](CC)C[C@@H](C)[C@H](C)OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001841033 210373128 /nfs/dbraw/zinc/37/31/28/210373128.db2.gz FYKBYTUHWXJHBK-MOPGFXCFSA-N 1 0 369.505 3.832 50 0 FHAARO O=C(NC1CCCC1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000000819301 210276231 /nfs/dbraw/zinc/27/62/31/210276231.db2.gz PZFPXRHLKRMYIL-UHFFFAOYSA-N 1 0 354.416 3.976 50 0 FHAARO Cc1cccn2c(=O)cc(C[N@H+](C)CCCOc3cccc(Cl)c3)nc12 ZINC000048364584 221011316 /nfs/dbraw/zinc/01/13/16/221011316.db2.gz AFCQSPUACIFQCK-UHFFFAOYSA-N 1 0 371.868 3.557 50 0 FHAARO CC[C@@H](C)NC(=O)c1c(C)n(C2CC[NH+](C(C)C)CC2)nc1C(F)(F)F ZINC000049362758 221022225 /nfs/dbraw/zinc/02/22/25/221022225.db2.gz VXFBWRAHESQTKK-GFCCVEGCSA-N 1 0 374.451 3.784 50 0 FHAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)COc1ccccc1-c1ccccc1 ZINC000058175443 221103832 /nfs/dbraw/zinc/10/38/32/221103832.db2.gz KIHAKAZXIDJENP-IBGZPJMESA-N 1 0 352.478 3.675 50 0 FHAARO C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(N4CCCCCC4)nc3)no2)C1 ZINC000065216211 221181015 /nfs/dbraw/zinc/18/10/15/221181015.db2.gz COCHOSBYVQBZDA-MRXNPFEDSA-N 1 0 355.486 3.744 50 0 FHAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cn(C)c3ccccc23)CC1)c1ccco1 ZINC000065059989 221167123 /nfs/dbraw/zinc/16/71/23/221167123.db2.gz QRJLWVBCSOTBCL-MRXNPFEDSA-N 1 0 365.477 3.861 50 0 FHAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCc1cc2ccc(C)cc2[nH]c1=O ZINC000065245608 221185675 /nfs/dbraw/zinc/18/56/75/221185675.db2.gz SBYRKSTZOXBVAX-IBGZPJMESA-N 1 0 369.509 3.562 50 0 FHAARO COc1ccc2nc3oc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)cc3cc2c1 ZINC000065331041 221201367 /nfs/dbraw/zinc/20/13/67/221201367.db2.gz AROGZXRBIJVPAU-CQSZACIVSA-N 1 0 367.449 3.594 50 0 FHAARO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000065363075 221202469 /nfs/dbraw/zinc/20/24/69/221202469.db2.gz YUBHEEJXPKUPCW-UHFFFAOYSA-N 1 0 374.506 3.577 50 0 FHAARO Cc1nccn1[C@@H](C)c1nc(CCc2ccccc2)nn1-c1cc[nH+]c(C)c1 ZINC000065387027 221208757 /nfs/dbraw/zinc/20/87/57/221208757.db2.gz BPZPILZEKMHQRB-KRWDZBQOSA-N 1 0 372.476 3.870 50 0 FHAARO CCc1nc(Cn2cnc(-c3ccccc3)c2[C@@H]2CCC[N@@H+](CC)C2)no1 ZINC000065387945 221210169 /nfs/dbraw/zinc/21/01/69/221210169.db2.gz BKGYQMONHAIVHI-QGZVFWFLSA-N 1 0 365.481 3.743 50 0 FHAARO COc1cc(F)ccc1-c1cc([C@H]2CC[N@H+](Cc3nccn3C)C2)ccn1 ZINC000065405299 221213914 /nfs/dbraw/zinc/21/39/14/221213914.db2.gz AVXDTTHGAGCWOW-INIZCTEOSA-N 1 0 366.440 3.619 50 0 FHAARO CCc1ccccc1OCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000065425841 221217722 /nfs/dbraw/zinc/21/77/22/221217722.db2.gz PCHXIEVKCHNIFA-UHFFFAOYSA-N 1 0 350.466 3.550 50 0 FHAARO COC[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2cc(C)cc(C)n2)c1 ZINC000065451832 221220567 /nfs/dbraw/zinc/22/05/67/221220567.db2.gz ABJDTXAXNKCBJD-LJQANCHMSA-N 1 0 353.466 3.562 50 0 FHAARO COc1ncc(-c2c(-c3ccccc3)ncn2CCC[NH+]2CCCC2)cn1 ZINC000065461047 221221263 /nfs/dbraw/zinc/22/12/63/221221263.db2.gz NKMCDCVBKOPSNO-UHFFFAOYSA-N 1 0 363.465 3.502 50 0 FHAARO C[C@@H](c1ccc2c(c1)OCCO2)[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000065502378 221226707 /nfs/dbraw/zinc/22/67/07/221226707.db2.gz CPCSWTNBMGXXBB-AWEZNQCLSA-N 1 0 358.413 3.619 50 0 FHAARO C[C@H](Nc1nc(CC[NH3+])nc2ccccc21)c1nc2c(s1)CCCC2 ZINC000065503600 221227216 /nfs/dbraw/zinc/22/72/16/221227216.db2.gz LPUFCCIMQAZMQD-LBPRGKRZSA-N 1 0 353.495 3.639 50 0 FHAARO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000065513925 221229819 /nfs/dbraw/zinc/22/98/19/221229819.db2.gz ZBUGEDCIGQBLSB-IERDGZPVSA-N 1 0 374.529 3.913 50 0 FHAARO CC[NH+]1CCC(CC(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)CC1 ZINC000065533186 221232910 /nfs/dbraw/zinc/23/29/10/221232910.db2.gz GHFVHUMSQCQKSM-HSZRJFAPSA-N 1 0 368.521 3.966 50 0 FHAARO CC(C)(C)OC(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000066324411 221243754 /nfs/dbraw/zinc/24/37/54/221243754.db2.gz RSKGYBOMPHCYHD-SFHVURJKSA-N 1 0 360.498 3.725 50 0 FHAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[N@H+](C)[C@H](C)C1 ZINC000067472626 221255778 /nfs/dbraw/zinc/25/57/78/221255778.db2.gz OIKUOARTEJPPCB-GFCCVEGCSA-N 1 0 353.388 3.805 50 0 FHAARO COc1cc(-c2ccc3c4c(ccc3c2)O[C@@H](C[NH3+])C4)cc(OC)c1OC ZINC000067586963 221259809 /nfs/dbraw/zinc/25/98/09/221259809.db2.gz MFWQLTRUKIZLKP-MRXNPFEDSA-N 1 0 365.429 3.795 50 0 FHAARO C[NH2+]C1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)CC1 ZINC000067641579 221263535 /nfs/dbraw/zinc/26/35/35/221263535.db2.gz SIJHKVBGZJDMDT-UHFFFAOYSA-N 1 0 353.388 3.853 50 0 FHAARO COc1ccc(-c2nc(CN3CC[C@H](C[NH3+])C3)c(C)o2)c2ccccc12 ZINC000067727334 221278004 /nfs/dbraw/zinc/27/80/04/221278004.db2.gz YEARWIUHNOJCKN-OAHLLOKOSA-N 1 0 351.450 3.592 50 0 FHAARO C[NH+]1CCC(C)(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000067740185 221278982 /nfs/dbraw/zinc/27/89/82/221278982.db2.gz ADJHDESCGLKJHA-MRXNPFEDSA-N 1 0 371.308 3.625 50 0 FHAARO CC[C@@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC[N@@H+]1C(C)C ZINC000067818659 221289610 /nfs/dbraw/zinc/28/96/10/221289610.db2.gz MBMGDFNTQRWZTR-HXUWFJFHSA-N 1 0 363.509 3.701 50 0 FHAARO Cc1nc(N[C@@H](C)c2cnn(-c3ccccc3)c2)cc(C2CC[NH2+]CC2)n1 ZINC000067847576 221293319 /nfs/dbraw/zinc/29/33/19/221293319.db2.gz NEHJBQNITUAVCC-HNNXBMFYSA-N 1 0 362.481 3.611 50 0 FHAARO CCc1nccc(C[NH+]2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)n1 ZINC000067956172 221309126 /nfs/dbraw/zinc/30/91/26/221309126.db2.gz NCVRIJGFQSQDLC-UHFFFAOYSA-N 1 0 365.456 3.948 50 0 FHAARO CC(C)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000069090848 221321782 /nfs/dbraw/zinc/32/17/82/221321782.db2.gz IPMPHYOUQYBLJZ-OAQYLSRUSA-N 1 0 372.534 3.925 50 0 FHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H](c2ccccc2)C1 ZINC000069878268 221328616 /nfs/dbraw/zinc/32/86/16/221328616.db2.gz LKQDIWQNXVMDDF-JOCHJYFZSA-N 1 0 363.505 3.634 50 0 FHAARO Cc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c(F)c1F ZINC000071385666 221345414 /nfs/dbraw/zinc/34/54/14/221345414.db2.gz MYLISWMIVQRBQK-KRWDZBQOSA-N 1 0 350.453 3.856 50 0 FHAARO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCC[C@@H](C(C)(C)O)C3)c(C)o2)c1 ZINC000071422451 221347303 /nfs/dbraw/zinc/34/73/03/221347303.db2.gz KLYNTILUAOVLTO-OAHLLOKOSA-N 1 0 374.481 3.650 50 0 FHAARO CC(C)[NH+]1CCC(Cn2ccnc2-c2cnc(-c3ccco3)nc2)CC1 ZINC000071498278 221350961 /nfs/dbraw/zinc/35/09/61/221350961.db2.gz POWHNYLQCRBAAB-UHFFFAOYSA-N 1 0 351.454 3.721 50 0 FHAARO Cc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)o1 ZINC000071745898 221357916 /nfs/dbraw/zinc/35/79/16/221357916.db2.gz MEMJNFWQAWREJL-HXUWFJFHSA-N 1 0 358.457 3.986 50 0 FHAARO COc1cccc(C[C@@H]2C[N@H+](CCc3c[nH]c4ccccc34)CCO2)c1 ZINC000071746734 221358213 /nfs/dbraw/zinc/35/82/13/221358213.db2.gz PFKPCCHQPQQKMA-HXUWFJFHSA-N 1 0 350.462 3.663 50 0 FHAARO COc1ccc(F)c(-c2nc(CN3CC([N@@H+]4CCCC[C@H]4C)C3)c(C)o2)c1 ZINC000071746742 221360028 /nfs/dbraw/zinc/36/00/28/221360028.db2.gz ZVTUPVQNICPZKO-CQSZACIVSA-N 1 0 373.472 3.856 50 0 FHAARO CCc1ocnc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071748555 221361260 /nfs/dbraw/zinc/36/12/60/221361260.db2.gz KBRGYAVYNLPENL-SFHVURJKSA-N 1 0 373.472 3.749 50 0 FHAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3cc(F)cc(F)c3)nc2)C1 ZINC000071752050 221363633 /nfs/dbraw/zinc/36/36/33/221363633.db2.gz FMGYMKYHMRHEKE-HNNXBMFYSA-N 1 0 373.447 3.735 50 0 FHAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(CCC(N)=O)CC1 ZINC000071767754 221372726 /nfs/dbraw/zinc/37/27/26/221372726.db2.gz YINYEYBLDYCLJO-UHFFFAOYSA-N 1 0 361.873 3.781 50 0 FHAARO CC(C)[C@H]1CN(Cc2nnc(C3CC3)o2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071776357 221375171 /nfs/dbraw/zinc/37/51/71/221375171.db2.gz CHVWRRFCDDJFIH-LJQANCHMSA-N 1 0 372.488 3.819 50 0 FHAARO CCc1nc2cc(-c3cc(O)cc(CC[C@H]4CCCC[NH2+]4)c3)cnc2[nH]1 ZINC000072169353 221445892 /nfs/dbraw/zinc/44/58/92/221445892.db2.gz PNPGKXUGIAIPNP-QGZVFWFLSA-N 1 0 350.466 3.968 50 0 FHAARO Fc1cccc(-c2nnc(CN3CCCC[C@H]3CC[NH+]3CCCC3)o2)c1 ZINC000072156269 221434452 /nfs/dbraw/zinc/43/44/52/221434452.db2.gz WEMFKCPWJYUBRU-SFHVURJKSA-N 1 0 358.461 3.716 50 0 FHAARO C[C@H]1C[C@H](Nc2ccccc2N2CCC(O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000095997204 132216672 /nfs/dbraw/zinc/21/66/72/132216672.db2.gz GLCWBGLYXDCCKI-ICSRJNTNSA-N 1 0 365.521 3.723 50 0 FHAARO Cc1cc(N2CCC(CNC(=O)c3ccc(F)cc3Cl)CC2)cc[nH+]1 ZINC000253398143 132377182 /nfs/dbraw/zinc/37/71/82/132377182.db2.gz GPAKRLBXHCTRBB-UHFFFAOYSA-N 1 0 361.848 3.829 50 0 FHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000004054137 132386289 /nfs/dbraw/zinc/38/62/89/132386289.db2.gz AEEWWLSFBHNBIG-UHFFFAOYSA-N 1 0 364.276 3.998 50 0 FHAARO CC(C)Cc1cn(C2CC[NH+](C3CCN(c4ccccc4)CC3)CC2)nn1 ZINC000048356912 136123634 /nfs/dbraw/zinc/12/36/34/136123634.db2.gz UOODODRBZUGWNC-UHFFFAOYSA-N 1 0 367.541 3.783 50 0 FHAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCC(C)C)C2)CC1 ZINC000055245132 136126222 /nfs/dbraw/zinc/12/62/22/136126222.db2.gz HOTOVJAQXFJPPX-FQEVSTJZSA-N 1 0 357.542 3.544 50 0 FHAARO Cc1ccsc1C[N@H+](Cc1cccnc1N1CCOCC1)CC(C)C ZINC000055253935 136126329 /nfs/dbraw/zinc/12/63/29/136126329.db2.gz MBEACUHJJZUZFC-UHFFFAOYSA-N 1 0 359.539 3.946 50 0 FHAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCC3(C)CC3)C2)CC1 ZINC000055359206 136126503 /nfs/dbraw/zinc/12/65/03/136126503.db2.gz OTIJUDQQMVCWQW-HXUWFJFHSA-N 1 0 369.553 3.688 50 0 FHAARO CCC[C@H]1CC[N@@H+](C2CCN(c3cccc(N4CCCC4=O)c3)CC2)C1 ZINC000063857282 136132998 /nfs/dbraw/zinc/13/29/98/136132998.db2.gz SNSGZLTUWPNHNA-SFHVURJKSA-N 1 0 355.526 3.904 50 0 FHAARO c1ccc(-c2nc3ccccc3c(N3CCC[C@H]([NH+]4CCOCC4)C3)n2)cc1 ZINC000072133768 136142262 /nfs/dbraw/zinc/14/22/62/136142262.db2.gz BGZOOZGWRGYFBF-IBGZPJMESA-N 1 0 374.488 3.598 50 0 FHAARO Cc1ccc2nc(N3CCC[C@H](O)C3)c(C[NH+]3CCCCCC3)cc2c1 ZINC000072421958 136146095 /nfs/dbraw/zinc/14/60/95/136146095.db2.gz NVKFGEYTUGDNQO-FQEVSTJZSA-N 1 0 353.510 3.880 50 0 FHAARO CCn1nc(C)c(C[N@@H+]2CCCC23CCN(c2cccc(C)n2)CC3)c1C ZINC000072463273 136148832 /nfs/dbraw/zinc/14/88/32/136148832.db2.gz MMNGEZVAHGCTBP-UHFFFAOYSA-N 1 0 367.541 3.858 50 0 FHAARO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023224646 136152456 /nfs/dbraw/zinc/15/24/56/136152456.db2.gz LLILXNIYNVEYTA-HXUWFJFHSA-N 1 0 372.484 3.511 50 0 FHAARO COc1ccc(C[C@H](C)[NH+]2CCN(c3ccccc3F)CC2)cc1OC ZINC000023283546 136152656 /nfs/dbraw/zinc/15/26/56/136152656.db2.gz ZWQXKWVXYKMGLJ-INIZCTEOSA-N 1 0 358.457 3.596 50 0 FHAARO CC(C)(O)CCc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCC2)c1 ZINC000072473134 221545373 /nfs/dbraw/zinc/54/53/73/221545373.db2.gz GGJLYKVRYLFRMD-UHFFFAOYSA-N 1 0 372.553 3.919 50 0 FHAARO Cc1cccc(OCCCCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000076041843 221592841 /nfs/dbraw/zinc/59/28/41/221592841.db2.gz ZPZKNFFSTWRPQG-HXUWFJFHSA-N 1 0 358.526 3.879 50 0 FHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(-n3nc(C)cc3C)c2)[C@H](C)C1 ZINC000084780026 221732393 /nfs/dbraw/zinc/73/23/93/221732393.db2.gz VAULPUZGMTZBRF-FOIQADDNSA-N 1 0 369.513 3.683 50 0 FHAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(O)cc3)CC2)C1 ZINC000091616280 221772624 /nfs/dbraw/zinc/77/26/24/221772624.db2.gz KEIATPPWIYFRMA-FQEVSTJZSA-N 1 0 364.489 3.734 50 0 FHAARO Cc1cc(C)c2c(ncnc2NC[C@H](c2cccnc2)[NH+]2CCCCC2)n1 ZINC000095358784 221859303 /nfs/dbraw/zinc/85/93/03/221859303.db2.gz ZGNKKBWFSAHQON-GOSISDBHSA-N 1 0 362.481 3.676 50 0 FHAARO C[NH+](C)C1(CNC(=O)Nc2ccccc2-c2ccccc2)CCOCC1 ZINC000095523678 221950693 /nfs/dbraw/zinc/95/06/93/221950693.db2.gz NIDJSQCKWSPKCS-UHFFFAOYSA-N 1 0 353.466 3.586 50 0 FHAARO Cc1ccc([C@@H]2CN(C(=O)c3ccco3)C[C@H]2C[NH+]2CCCCC2)cc1 ZINC000096281438 222109252 /nfs/dbraw/zinc/10/92/52/222109252.db2.gz XMZDBDRLASBNSZ-UXHICEINSA-N 1 0 352.478 3.930 50 0 FHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(Cl)c(Cl)[nH]1 ZINC000097037069 222154417 /nfs/dbraw/zinc/15/44/17/222154417.db2.gz UYZQLGBPACKWQD-OAHLLOKOSA-N 1 0 352.265 3.888 50 0 FHAARO Cc1nc(-c2ccccc2)[nH]c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000097295118 222172591 /nfs/dbraw/zinc/17/25/91/222172591.db2.gz PLZFBCLQPDKICQ-QGZVFWFLSA-N 1 0 364.449 3.545 50 0 FHAARO CC[NH+](CC)Cc1cccc(NC(=O)N[C@@H](C)c2cn3ncsc3n2)c1 ZINC000097463506 222181428 /nfs/dbraw/zinc/18/14/28/222181428.db2.gz GJLUVYZGGIDVJZ-ZDUSSCGKSA-N 1 0 372.498 3.515 50 0 FHAARO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1OCc1ccc(F)cc1 ZINC000097594945 222195533 /nfs/dbraw/zinc/19/55/33/222195533.db2.gz RZABBUMTKUENCN-ICSRJNTNSA-N 1 0 370.468 3.597 50 0 FHAARO O=C(NC1CC[NH+](Cc2cccs2)CC1)c1ccccc1-c1ncc[nH]1 ZINC000097631898 222200251 /nfs/dbraw/zinc/20/02/51/222200251.db2.gz JQOGDPOFIAKHIU-UHFFFAOYSA-N 1 0 366.490 3.533 50 0 FHAARO COc1ccccc1-c1cccc(NC(=O)N[C@@H](C)C[NH+]2CCCC2)c1 ZINC000097694955 222205799 /nfs/dbraw/zinc/20/57/99/222205799.db2.gz HKTCFIAIKWKPND-INIZCTEOSA-N 1 0 353.466 3.968 50 0 FHAARO Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](Cn3ccnc3)C2)cc1 ZINC000097729552 222206879 /nfs/dbraw/zinc/20/68/79/222206879.db2.gz UHHYJXDORMYOFC-HNNXBMFYSA-N 1 0 355.873 3.839 50 0 FHAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2CCC[C@H](c3ccncn3)C2)n1 ZINC000097717098 222207444 /nfs/dbraw/zinc/20/74/44/222207444.db2.gz UBVAVFMOIBXYGO-KRWDZBQOSA-N 1 0 365.456 3.798 50 0 FHAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000097732897 222208489 /nfs/dbraw/zinc/20/84/89/222208489.db2.gz WTEXYDLTHZTZAC-UHFFFAOYSA-N 1 0 371.550 3.747 50 0 FHAARO C[C@@H](c1ccc(C(=O)NCCSc2ccccn2)o1)[NH+]1CCCCC1 ZINC000097773053 222211048 /nfs/dbraw/zinc/21/10/48/222211048.db2.gz QPVQBNFEUTWZQL-HNNXBMFYSA-N 1 0 359.495 3.744 50 0 FHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)/C=C\c2cccc(F)c2)CC1 ZINC000098009440 222221220 /nfs/dbraw/zinc/22/12/20/222221220.db2.gz ZHENHPMOKLJABQ-KTKRTIGZSA-N 1 0 353.441 3.984 50 0 FHAARO O=C(NCCCSCc1ccccc1F)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000102543494 222299666 /nfs/dbraw/zinc/29/96/66/222299666.db2.gz GIQROQKBYCYYMY-IEBWSBKVSA-N 1 0 364.530 3.830 50 0 FHAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cc3ccccc3o2)C[C@H]1CCO ZINC000104399585 222357705 /nfs/dbraw/zinc/35/77/05/222357705.db2.gz HIZJVSVTAZARPF-OAQYLSRUSA-N 1 0 364.489 3.810 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000106629665 222386829 /nfs/dbraw/zinc/38/68/29/222386829.db2.gz UQJKYJKUHCATAX-YOEHRIQHSA-N 1 0 365.905 3.727 50 0 FHAARO CO[C@]12CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426497406 263609329 /nfs/dbraw/zinc/60/93/29/263609329.db2.gz UVCPILPJPLZLHV-TYCQWZJGSA-N 1 0 371.481 3.608 50 0 FHAARO COC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010337229 518027322 /nfs/dbraw/zinc/02/73/22/518027322.db2.gz ZYJBBZRSJADILJ-UHFFFAOYSA-N 1 0 352.434 3.711 50 0 FHAARO CC(=O)c1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)no3)C2)n(C)c1 ZINC000216538798 518275966 /nfs/dbraw/zinc/27/59/66/518275966.db2.gz LVRYBWZLSCLRCP-KRWDZBQOSA-N 1 0 364.449 3.657 50 0 FHAARO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000078759306 518974260 /nfs/dbraw/zinc/97/42/60/518974260.db2.gz OBEFXVXPDYVPJD-INIZCTEOSA-N 1 0 368.543 3.712 50 0 FHAARO CC(C)CC[N@@H+]1CCN(Cc2cnc(-c3ccccc3)s2)C[C@@H]1CCO ZINC000019840245 519654414 /nfs/dbraw/zinc/65/44/14/519654414.db2.gz XEQULGDRLPZBKT-IBGZPJMESA-N 1 0 373.566 3.725 50 0 FHAARO CCCOc1c(Cl)cc(C[NH2+]CCCN2CCCC2=O)cc1OCC ZINC000020932232 520294256 /nfs/dbraw/zinc/29/42/56/520294256.db2.gz VKEVWTUJAGYQPA-UHFFFAOYSA-N 1 0 368.905 3.630 50 0 FHAARO CCCOc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1OC ZINC000020931024 520366666 /nfs/dbraw/zinc/36/66/66/520366666.db2.gz ZNFJSSBQCDJDIT-UHFFFAOYSA-N 1 0 359.466 3.834 50 0 FHAARO CCC(=O)c1ccccc1OCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020500032 521260665 /nfs/dbraw/zinc/26/06/65/521260665.db2.gz XKQTVAOPPLMNQN-UHFFFAOYSA-N 1 0 366.505 3.866 50 0 FHAARO CCCCc1cc(=O)[nH]c(-c2ccccc2CN2CCC[N@H+](C)C[C@H]2C)n1 ZINC000253530896 521262203 /nfs/dbraw/zinc/26/22/03/521262203.db2.gz SKBDEQZXESJUSF-QGZVFWFLSA-N 1 0 368.525 3.718 50 0 FHAARO CCCc1nc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)cs1 ZINC000091304795 521478707 /nfs/dbraw/zinc/47/87/07/521478707.db2.gz HSFOCDHIHZNRGV-INIZCTEOSA-N 1 0 357.523 3.623 50 0 FHAARO CCCN(CC[NH+](C)C)C(=O)CCSc1ccccc1Br ZINC000078710680 521654015 /nfs/dbraw/zinc/65/40/15/521654015.db2.gz IKKYKPCSHYONLI-UHFFFAOYSA-N 1 0 373.360 3.732 50 0 FHAARO CCCn1ncc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)c1C ZINC000020385725 521672481 /nfs/dbraw/zinc/67/24/81/521672481.db2.gz AOAHEMNSJQFXKM-FQEVSTJZSA-N 1 0 358.505 3.837 50 0 FHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2cc(C)ccc2C)C1 ZINC000158871443 522044070 /nfs/dbraw/zinc/04/40/70/522044070.db2.gz ODKRDBKNIXWJDN-SFHVURJKSA-N 1 0 364.489 3.606 50 0 FHAARO C[NH+](C)[C@H]1CCCCN(C(=O)c2ccc(CSc3ccccn3)cc2)C1 ZINC000082086771 522091361 /nfs/dbraw/zinc/09/13/61/522091361.db2.gz ADJSSEDWHJNDFV-IBGZPJMESA-N 1 0 369.534 3.930 50 0 FHAARO COc1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc(Cl)c1OC ZINC000078940974 522460135 /nfs/dbraw/zinc/46/01/35/522460135.db2.gz AQJFTYMDOIQEOL-INIZCTEOSA-N 1 0 364.873 3.877 50 0 FHAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000020995596 522966291 /nfs/dbraw/zinc/96/62/91/522966291.db2.gz XIYWMXYSCGRSBR-UKKYDJSUSA-N 1 0 353.485 3.873 50 0 FHAARO C[NH+]1CCC(C(=O)NCCSCc2ccc(Cl)cc2Cl)CC1 ZINC000078578621 523750727 /nfs/dbraw/zinc/75/07/27/523750727.db2.gz SXIJEACQQBPTAU-UHFFFAOYSA-N 1 0 361.338 3.685 50 0 FHAARO CN(C(=O)c1c[nH]nc1C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000091664029 523916726 /nfs/dbraw/zinc/91/67/26/523916726.db2.gz TXJAPDWLHZFBJA-IBGZPJMESA-N 1 0 366.509 3.804 50 0 FHAARO CCc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)o1 ZINC000020294365 523926080 /nfs/dbraw/zinc/92/60/80/523926080.db2.gz VJTNCWIJZLWOHL-GOSISDBHSA-N 1 0 371.500 3.768 50 0 FHAARO CCc1ccc(C[NH+]2CCN(Cc3ccc(OC)cc3OC)CC2)cc1 ZINC000019788301 523928015 /nfs/dbraw/zinc/92/80/15/523928015.db2.gz DYLHRLONVGQNNQ-UHFFFAOYSA-N 1 0 354.494 3.584 50 0 FHAARO C[N@@H+]1CC[C@@H](Nc2nc(-c3ccccn3)nc3c2CCC3)[C@H]1c1ccccc1 ZINC000252476745 523969979 /nfs/dbraw/zinc/96/99/79/523969979.db2.gz ARNPQFIPIHRIGQ-TZIWHRDSSA-N 1 0 371.488 3.885 50 0 FHAARO COc1ccc(C[N@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000245228139 524004767 /nfs/dbraw/zinc/00/47/67/524004767.db2.gz GMYMEZZHOLIHEL-UGKGYDQZSA-N 1 0 355.478 3.582 50 0 FHAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+](C)Cc1cc(-c2cccnc2)no1 ZINC000216363386 524899536 /nfs/dbraw/zinc/89/95/36/524899536.db2.gz GXSOPZLWARHXQH-HNNXBMFYSA-N 1 0 365.433 3.776 50 0 FHAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000020992006 525142363 /nfs/dbraw/zinc/14/23/63/525142363.db2.gz HIZJVSVTAZARPF-NRFANRHFSA-N 1 0 364.489 3.810 50 0 FHAARO C[C@H]([NH2+]C(C)(C)CNC(=O)c1csc(NC2CC2)n1)c1ccccc1 ZINC000078995644 525277154 /nfs/dbraw/zinc/27/71/54/525277154.db2.gz MYMMBCAVKFFYMN-ZDUSSCGKSA-N 1 0 358.511 3.577 50 0 FHAARO COc1cccc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1OC ZINC000019836039 525939688 /nfs/dbraw/zinc/93/96/88/525939688.db2.gz CNTJRRJLOMMOAE-HXUWFJFHSA-N 1 0 354.494 3.800 50 0 FHAARO O[C@H](CSc1ccc(Cl)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020384886 526293347 /nfs/dbraw/zinc/29/33/47/526293347.db2.gz XIJKFIJDIBBJJH-SFHVURJKSA-N 1 0 362.926 3.615 50 0 FHAARO Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@H+]2CCSc2ccccc2)C1 ZINC000091663383 526507052 /nfs/dbraw/zinc/50/70/52/526507052.db2.gz MYYVIIUMLHGUDC-RBUKOAKNSA-N 1 0 371.550 3.980 50 0 FHAARO Cc1noc2ncnc(NCC3CC[NH+](Cc4cccc(C)c4)CC3)c12 ZINC000020575164 526688255 /nfs/dbraw/zinc/68/82/55/526688255.db2.gz ZAIGGVIQUGZHLL-UHFFFAOYSA-N 1 0 351.454 3.559 50 0 FHAARO Cc1sc2ccccc2c1C[NH+]1CCC(n2cc(C[C@H](C)O)nn2)CC1 ZINC000019884990 526887468 /nfs/dbraw/zinc/88/74/68/526887468.db2.gz YFCPXLZNTBUOGZ-AWEZNQCLSA-N 1 0 370.522 3.562 50 0 FHAARO O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000240894787 526888996 /nfs/dbraw/zinc/88/89/96/526888996.db2.gz IPVKQAFLSHPNNC-GVDBMIGSSA-N 1 0 369.431 3.531 50 0 FHAARO [NH3+]C[C@H]1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000178589161 527237678 /nfs/dbraw/zinc/23/76/78/527237678.db2.gz LOOQOYMMCDAKKE-LLVKDONJSA-N 1 0 366.248 3.602 50 0 FHAARO CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000043574936 535755122 /nfs/dbraw/zinc/75/51/22/535755122.db2.gz DRTPSGZFSQGBBO-GOSISDBHSA-N 1 0 366.509 3.754 50 0 FHAARO CCCc1ncncc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000215214166 568058196 /nfs/dbraw/zinc/05/81/96/568058196.db2.gz HETLQPYSOXFTCR-LJQANCHMSA-N 1 0 372.900 3.649 50 0 FHAARO CCOc1ccc(CN2CCc3[nH]c4c(cccc4C)c3C2)cc1CO ZINC000215486165 568073085 /nfs/dbraw/zinc/07/30/85/568073085.db2.gz QHJWGFCPLSPSNE-UHFFFAOYSA-N 1 0 350.462 3.926 50 0 FHAARO c1ccc(CNc2ncc(CN3CCCC[C@H]3C[NH+]3CCCC3)cn2)cc1 ZINC000215816914 568090345 /nfs/dbraw/zinc/09/03/45/568090345.db2.gz SLISIEBHDQOJIC-NRFANRHFSA-N 1 0 365.525 3.539 50 0 FHAARO C[N@@H+]1CCCC[C@@H]1CC(=O)NCc1ccccc1OCc1ccccc1 ZINC000215853572 568092555 /nfs/dbraw/zinc/09/25/55/568092555.db2.gz RGBQFTCXIYGMGU-HXUWFJFHSA-N 1 0 352.478 3.756 50 0 FHAARO COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)s1 ZINC000216203584 568112256 /nfs/dbraw/zinc/11/22/56/568112256.db2.gz PFLRYDUESHXWSY-AWEZNQCLSA-N 1 0 369.494 3.625 50 0 FHAARO COc1cc(OC)c(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1Cl ZINC000216329074 568118192 /nfs/dbraw/zinc/11/81/92/568118192.db2.gz ZFQLTXBKTBAHDW-GOSISDBHSA-N 1 0 360.885 3.846 50 0 FHAARO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(C)cc(C)c3-n3cccn3)C2)no1 ZINC000216446880 568123697 /nfs/dbraw/zinc/12/36/97/568123697.db2.gz ZSCPRVMUUZKHTE-QGZVFWFLSA-N 1 0 351.454 3.560 50 0 FHAARO COc1cccc(/C=C/C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000032238935 568388152 /nfs/dbraw/zinc/38/81/52/568388152.db2.gz JCIKODRKMWPOGE-BBVFFXRHSA-N 1 0 356.491 3.723 50 0 FHAARO COc1cc(Br)c(C[NH2+]CCc2ccccc2)cc1OC ZINC000023550213 568403319 /nfs/dbraw/zinc/40/33/19/568403319.db2.gz MPXTUNIVARHHIN-UHFFFAOYSA-N 1 0 350.256 3.799 50 0 FHAARO COc1cccc(-c2cccc(C(=O)N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000222347053 568517613 /nfs/dbraw/zinc/51/76/13/568517613.db2.gz UANLIMNFXJKEEA-UHFFFAOYSA-N 1 0 350.462 3.530 50 0 FHAARO O=C(NCc1cnc2ccccn12)c1cccc(N2Cc3ccccc3C2)c1 ZINC000222812194 568566206 /nfs/dbraw/zinc/56/62/06/568566206.db2.gz UYMIBPNXYFMVRD-UHFFFAOYSA-N 1 0 368.440 3.785 50 0 FHAARO CCOc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(C(C)=O)C4)o2)cc1 ZINC000091906650 570441946 /nfs/dbraw/zinc/44/19/46/570441946.db2.gz QQASCPGVHFEDEX-PKOBYXMFSA-N 1 0 368.477 3.788 50 0 FHAARO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3SC)C[C@H]2N(C)C)cc1 ZINC000091951562 570443652 /nfs/dbraw/zinc/44/36/52/570443652.db2.gz HNTPNKKSYRPYAO-VQTJNVASSA-N 1 0 356.535 3.947 50 0 FHAARO O=C(c1cc(Cl)ccc1F)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091997958 570444508 /nfs/dbraw/zinc/44/45/08/570444508.db2.gz UDNYXTANRFQNGN-DOTOQJQBSA-N 1 0 373.859 3.611 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)N3CCCC3)CC2)C1 ZINC000092080479 570447137 /nfs/dbraw/zinc/44/71/37/570447137.db2.gz YQSLKVMDWZNRHB-HXUWFJFHSA-N 1 0 355.526 3.794 50 0 FHAARO CN(Cc1cccc2cnccc21)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095352127 570451772 /nfs/dbraw/zinc/45/17/72/570451772.db2.gz RJLSDXLRMGGXII-IBGZPJMESA-N 1 0 363.461 3.698 50 0 FHAARO CCc1ocnc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000095352657 570452043 /nfs/dbraw/zinc/45/20/43/570452043.db2.gz CXCCBOLBGMJRGP-SFHVURJKSA-N 1 0 367.493 3.579 50 0 FHAARO CN(Cc1c[nH]nc1-c1ccccc1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095352511 570452232 /nfs/dbraw/zinc/45/22/32/570452232.db2.gz ZOEFUNUKMCXKNK-HXUWFJFHSA-N 1 0 374.488 3.816 50 0 FHAARO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)CC1 ZINC000095352523 570452285 /nfs/dbraw/zinc/45/22/85/570452285.db2.gz HMADOBSEZIFFMQ-IBGZPJMESA-N 1 0 372.488 3.876 50 0 FHAARO CSc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cs1 ZINC000095355679 570452677 /nfs/dbraw/zinc/45/26/77/570452677.db2.gz CYWZRGSEGGAHNO-JKSUJKDBSA-N 1 0 373.547 3.602 50 0 FHAARO CSCCc1nc(Cc2c[nH]c3ccccc23)n(C2CC[NH+](C)CC2)n1 ZINC000095359802 570453811 /nfs/dbraw/zinc/45/38/11/570453811.db2.gz VENWHONYCUCBAO-UHFFFAOYSA-N 1 0 369.538 3.522 50 0 FHAARO O=C(c1cccc(Cl)c1F)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095363923 570454331 /nfs/dbraw/zinc/45/43/31/570454331.db2.gz DJUZVZUFMPHEGM-HUUCEWRRSA-N 1 0 350.865 3.816 50 0 FHAARO Cc1nc2ccc(C(=O)N3CCCN(c4cc[nH+]cc4C)CC3)cc2s1 ZINC000095366345 570455733 /nfs/dbraw/zinc/45/57/33/570455733.db2.gz ZYVADEYVNRDRRQ-UHFFFAOYSA-N 1 0 366.490 3.661 50 0 FHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(C)nc3c(C)cccc13)C2 ZINC000095375275 570457384 /nfs/dbraw/zinc/45/73/84/570457384.db2.gz WPENBFDRNXYSPD-QZTJIDSGSA-N 1 0 351.494 3.798 50 0 FHAARO c1c(-c2cnc(-c3cccc4ccccc43)nc2)nnn1CC1CC[NH2+]CC1 ZINC000095376018 570457761 /nfs/dbraw/zinc/45/77/61/570457761.db2.gz OXGDETZVWCCEHT-UHFFFAOYSA-N 1 0 370.460 3.555 50 0 FHAARO O=C(NCc1[nH]nc2c1CCCCC2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095376509 570457765 /nfs/dbraw/zinc/45/77/65/570457765.db2.gz ZOUALDJMBYXSHL-UHFFFAOYSA-N 1 0 366.509 3.595 50 0 FHAARO Cc1nnc(CN2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)o1 ZINC000095378693 570458236 /nfs/dbraw/zinc/45/82/36/570458236.db2.gz ZWVSMPIPUOHUKP-IBGZPJMESA-N 1 0 366.509 3.612 50 0 FHAARO c1c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)onc1-c1ccccc1 ZINC000095380327 570458410 /nfs/dbraw/zinc/45/84/10/570458410.db2.gz UIKHHVYDFYNCTI-PZJWPPBQSA-N 1 0 374.488 3.833 50 0 FHAARO Cc1nc(-c2nc(COc3ccccc3)n(C3CC[NH+](C)CC3)n2)cs1 ZINC000095380637 570458864 /nfs/dbraw/zinc/45/88/64/570458864.db2.gz ZHUITVUZRLRQKD-UHFFFAOYSA-N 1 0 369.494 3.556 50 0 FHAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CC=C(c2ccccc2)CC1 ZINC000095380433 570458967 /nfs/dbraw/zinc/45/89/67/570458967.db2.gz NDAPMJKQXQRRSK-FQEVSTJZSA-N 1 0 350.462 3.808 50 0 FHAARO Oc1cccc([C@@H]2CN(Cc3cccc(F)c3F)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095388431 570460861 /nfs/dbraw/zinc/46/08/61/570460861.db2.gz WSNLEEKZEYFQKT-VLCRHTCISA-N 1 0 370.443 3.733 50 0 FHAARO Cn1ccnc1CN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095390199 570460886 /nfs/dbraw/zinc/46/08/86/570460886.db2.gz MUSBPSIKIOSSES-HXUWFJFHSA-N 1 0 364.537 3.654 50 0 FHAARO FC(F)Oc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1 ZINC000095391872 570461245 /nfs/dbraw/zinc/46/12/45/570461245.db2.gz AGEVWLKFWUUDGQ-RBUKOAKNSA-N 1 0 373.447 3.779 50 0 FHAARO O=C(c1ccc2cc[nH]c2c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095391822 570461307 /nfs/dbraw/zinc/46/13/07/570461307.db2.gz VCEITLQOWWYMMA-GHTZIAJQSA-N 1 0 359.473 3.905 50 0 FHAARO O=C(NCc1nc(C2CCCCC2)no1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095392128 570461314 /nfs/dbraw/zinc/46/13/14/570461314.db2.gz PSMPPMPECYOWOX-GOSISDBHSA-N 1 0 368.481 3.514 50 0 FHAARO Cc1cccnc1[C@H](C)NC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000095511239 570465520 /nfs/dbraw/zinc/46/55/20/570465520.db2.gz QUBCJHLASTVWCN-INIZCTEOSA-N 1 0 368.481 3.746 50 0 FHAARO CC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccco3)C2)cc1 ZINC000095513140 570466028 /nfs/dbraw/zinc/46/60/28/570466028.db2.gz BRLZUJIMQWVEBN-MRXNPFEDSA-N 1 0 355.438 3.516 50 0 FHAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)[C@H]1CCCCO1 ZINC000095521444 570467450 /nfs/dbraw/zinc/46/74/50/570467450.db2.gz HWKRBSSMKVHUHT-JOCHJYFZSA-N 1 0 372.553 3.667 50 0 FHAARO C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(OCc2ccccc2)c1 ZINC000095522198 570467743 /nfs/dbraw/zinc/46/77/43/570467743.db2.gz OFFAJCVXAAQGCA-LJQANCHMSA-N 1 0 353.466 3.871 50 0 FHAARO Fc1ccc(-c2n[nH]cc2CN2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cc1 ZINC000095523325 570468055 /nfs/dbraw/zinc/46/80/55/570468055.db2.gz LZEKWHMZZQUVNT-OXJNMPFZSA-N 1 0 354.473 3.522 50 0 FHAARO O=C(CCC1CC[NH+](C[C@H]2CCCO2)CC1)Nc1ccccc1Cl ZINC000095524235 570468513 /nfs/dbraw/zinc/46/85/13/570468513.db2.gz QZXJEVQBDYZZSD-MRXNPFEDSA-N 1 0 350.890 3.950 50 0 FHAARO Fc1ccccc1CN1CCC([NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000048750936 570515246 /nfs/dbraw/zinc/51/52/46/570515246.db2.gz OCPYOJOBXHKWOO-UHFFFAOYSA-N 1 0 370.468 3.741 50 0 FHAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000002734718 570528891 /nfs/dbraw/zinc/52/88/91/570528891.db2.gz SXMVAVVUUHFGAG-NRFANRHFSA-N 1 0 366.505 3.956 50 0 FHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)C1 ZINC000237257192 570547241 /nfs/dbraw/zinc/54/72/41/570547241.db2.gz VWICPYQEPQVJLH-AWEZNQCLSA-N 1 0 360.404 3.829 50 0 FHAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000237443732 570556998 /nfs/dbraw/zinc/55/69/98/570556998.db2.gz GNAZAAOYEFZXBB-HOCLYGCPSA-N 1 0 370.880 3.770 50 0 FHAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]C(C)C ZINC000004992301 570572925 /nfs/dbraw/zinc/57/29/25/570572925.db2.gz NMIXOKLEGFUEFL-OALUTQOASA-N 1 0 358.869 3.809 50 0 FHAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccccc3F)nc2c1 ZINC000005121525 570587607 /nfs/dbraw/zinc/58/76/07/570587607.db2.gz XTEGSUYDXKJQKN-UHFFFAOYSA-N 1 0 373.453 3.652 50 0 FHAARO O=S(=O)(c1ccc2ccccc2c1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000004553758 570595937 /nfs/dbraw/zinc/59/59/37/570595937.db2.gz RVIWGVMTASKZQA-UHFFFAOYSA-N 1 0 372.534 3.869 50 0 FHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000248108741 570596825 /nfs/dbraw/zinc/59/68/25/570596825.db2.gz PYMXNNIMDSDOCG-YRNRMSPPSA-N 1 0 369.509 3.513 50 0 FHAARO O=C(Cc1ccc2c(c1)CCC2)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000044515479 570603641 /nfs/dbraw/zinc/60/36/41/570603641.db2.gz SAQUUBWSNDYDQS-HXUWFJFHSA-N 1 0 352.478 3.654 50 0 FHAARO Cc1ccsc1CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426435433 570605889 /nfs/dbraw/zinc/60/58/89/570605889.db2.gz QIURGPLNRWEEOW-SFHVURJKSA-N 1 0 357.523 3.515 50 0 FHAARO Fc1ccc(NC(=S)NCC[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000004908461 570612848 /nfs/dbraw/zinc/61/28/48/570612848.db2.gz AOJVJGLPCBUUKK-UHFFFAOYSA-N 1 0 363.889 3.824 50 0 FHAARO Cc1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)cc1OCC[NH3+] ZINC000426573311 570616832 /nfs/dbraw/zinc/61/68/32/570616832.db2.gz SILDBLYGONLFKN-PXNSSMCTSA-N 1 0 370.468 3.613 50 0 FHAARO COCc1cccc(NC(=O)Nc2cc(C)cc(N3CC[NH+](C)CC3)c2)c1 ZINC000252485543 570622587 /nfs/dbraw/zinc/62/25/87/570622587.db2.gz GYEZCBMUWPXBID-UHFFFAOYSA-N 1 0 368.481 3.537 50 0 FHAARO Cc1cc(NCC[NH+](C)C)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000005269857 570622924 /nfs/dbraw/zinc/62/29/24/570622924.db2.gz UOQBZTXQAQMRKN-UHFFFAOYSA-N 1 0 363.387 3.697 50 0 FHAARO Cc1ccc(OCCCCNC(=O)[C@@H]2CCN2Cc2ccccc2)cc1 ZINC000078875859 570634105 /nfs/dbraw/zinc/63/41/05/570634105.db2.gz BYRQISQEMFDWFL-NRFANRHFSA-N 1 0 352.478 3.545 50 0 FHAARO CC[NH+](CC)CCCOc1cccc(N2C(=O)C3=C(CCCC3)C2=O)c1 ZINC000005311480 570646939 /nfs/dbraw/zinc/64/69/39/570646939.db2.gz ZGODTUMTMNQYBM-UHFFFAOYSA-N 1 0 356.466 3.541 50 0 FHAARO CC[NH+](CC)CCCNc1ncnc2c1c(C)c(C)n2Cc1ccco1 ZINC000005348359 570649599 /nfs/dbraw/zinc/64/95/99/570649599.db2.gz FYIWFHZKFLEGGB-UHFFFAOYSA-N 1 0 355.486 3.833 50 0 FHAARO Cc1ccc([C@H](CC(=O)NCCC[NH+](C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000005348411 570649619 /nfs/dbraw/zinc/64/96/19/570649619.db2.gz KFXGNULOTVUHLH-UXHICEINSA-N 1 0 360.542 3.742 50 0 FHAARO O=C(CCc1ccccc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006698629 570652314 /nfs/dbraw/zinc/65/23/14/570652314.db2.gz FVNUMYXCRGKSKN-UHFFFAOYSA-N 1 0 352.522 3.732 50 0 FHAARO C/C=C/c1ccc(OCCC[NH+]2CCC(C(=O)OCC)CC2)c(OC)c1 ZINC000006703629 570652801 /nfs/dbraw/zinc/65/28/01/570652801.db2.gz QNYQFEADWASDNL-QPJJXVBHSA-N 1 0 361.482 3.772 50 0 FHAARO CCc1cc(=O)oc2c1ccc1c2CN(C2CC(C)(C)[NH2+]C(C)(C)C2)CO1 ZINC000006760017 570654084 /nfs/dbraw/zinc/65/40/84/570654084.db2.gz ILUUXDBEILOSQR-UHFFFAOYSA-N 1 0 370.493 3.817 50 0 FHAARO CC(C)N(C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1)C(C)C ZINC000071920709 570678586 /nfs/dbraw/zinc/67/85/86/570678586.db2.gz FQDIBCIUHJRCCI-CQSZACIVSA-N 1 0 355.320 3.915 50 0 FHAARO CCOc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)cc1 ZINC000002966485 570679124 /nfs/dbraw/zinc/67/91/24/570679124.db2.gz MPEBCBPXJWNSLX-QFIPXVFZSA-N 1 0 351.470 3.736 50 0 FHAARO CC(=O)Nc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000009691886 570696694 /nfs/dbraw/zinc/69/66/94/570696694.db2.gz OOWOKPYMDPEHJE-UHFFFAOYSA-N 1 0 351.450 3.883 50 0 FHAARO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000155604578 570701990 /nfs/dbraw/zinc/70/19/90/570701990.db2.gz RJLHXWGSQWKFKK-CQSZACIVSA-N 1 0 367.424 3.922 50 0 FHAARO O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010691375 570702205 /nfs/dbraw/zinc/70/22/05/570702205.db2.gz LBJDZRRBWLEEOJ-UHFFFAOYSA-N 1 0 352.434 3.696 50 0 FHAARO CC(C)C[N@@H+]1CCOc2ccc([C@@](C)(O)COc3ccccc3)cc2C1 ZINC000011782842 570706828 /nfs/dbraw/zinc/70/68/28/570706828.db2.gz AZIFVSPAFDQGEW-QFIPXVFZSA-N 1 0 355.478 3.824 50 0 FHAARO CCc1nc(C)c(C[NH+]2CCC(CCC(=O)Nc3ccccc3)CC2)[nH]1 ZINC000011817929 570707603 /nfs/dbraw/zinc/70/76/03/570707603.db2.gz CQXDZDLPVZVXQG-UHFFFAOYSA-N 1 0 354.498 3.911 50 0 FHAARO O=C(c1cccs1)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011820566 570708100 /nfs/dbraw/zinc/70/81/00/570708100.db2.gz FTDWJULHSMVGPQ-GOSISDBHSA-N 1 0 355.507 3.517 50 0 FHAARO OC[C@]1(CCCc2ccccc2)CCC[N@@H+](C2CSCCSC2)C1 ZINC000012074336 570716371 /nfs/dbraw/zinc/71/63/71/570716371.db2.gz SLGYYLWGTRECML-HXUWFJFHSA-N 1 0 365.608 3.932 50 0 FHAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)c1cccc(F)c1 ZINC000012314023 570735850 /nfs/dbraw/zinc/73/58/50/570735850.db2.gz XYIBHNNBCINHBB-UHFFFAOYSA-N 1 0 372.459 3.992 50 0 FHAARO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 ZINC000012315853 570735935 /nfs/dbraw/zinc/73/59/35/570735935.db2.gz CENSEVPBKJLAMZ-AWEZNQCLSA-N 1 0 367.424 3.957 50 0 FHAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000012316405 570736220 /nfs/dbraw/zinc/73/62/20/570736220.db2.gz YFFWHUPCDKHYMU-OAHLLOKOSA-N 1 0 363.408 3.663 50 0 FHAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2ccsc2)CC1 ZINC000012373536 570740056 /nfs/dbraw/zinc/74/00/56/570740056.db2.gz ZUASUZOCWUGCDC-UHFFFAOYSA-N 1 0 372.534 3.783 50 0 FHAARO C[C@@H](Oc1ccc(F)cc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012380632 570740469 /nfs/dbraw/zinc/74/04/69/570740469.db2.gz KGCIFIQTDYWGOU-OAHLLOKOSA-N 1 0 374.431 3.513 50 0 FHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccsc2)C1 ZINC000012429935 570744321 /nfs/dbraw/zinc/74/43/21/570744321.db2.gz HGFZFPLATQNWGP-KRWDZBQOSA-N 1 0 372.534 3.783 50 0 FHAARO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000012432618 570744796 /nfs/dbraw/zinc/74/47/96/570744796.db2.gz LHLXRCOQOGAKRS-JOCHJYFZSA-N 1 0 370.468 3.917 50 0 FHAARO O=C(CC[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1)N1CCCC1 ZINC000012457221 570747180 /nfs/dbraw/zinc/74/71/80/570747180.db2.gz HMFFUIQGHRDFOM-GOSISDBHSA-N 1 0 351.494 3.849 50 0 FHAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2ccc(F)c(F)c2)C1 ZINC000012578786 570751485 /nfs/dbraw/zinc/75/14/85/570751485.db2.gz KECMNJKLYQNSEB-GOSISDBHSA-N 1 0 372.459 3.992 50 0 FHAARO Cc1ncc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)s1 ZINC000012593392 570752602 /nfs/dbraw/zinc/75/26/02/570752602.db2.gz GMRGUEKLTPMTNE-QGZVFWFLSA-N 1 0 361.530 3.977 50 0 FHAARO CN(C(=O)c1ccnc(Cl)c1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012702041 570756917 /nfs/dbraw/zinc/75/69/17/570756917.db2.gz KSLURRSIEVNONG-IBGZPJMESA-N 1 0 371.912 3.904 50 0 FHAARO O=C(N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)c1ccc2[nH]ccc2c1 ZINC000012745252 570759126 /nfs/dbraw/zinc/75/91/26/570759126.db2.gz YPIGVRXDSMBACN-FQEVSTJZSA-N 1 0 359.473 3.530 50 0 FHAARO COCc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)o1 ZINC000012836079 570765346 /nfs/dbraw/zinc/76/53/46/570765346.db2.gz UGVQFPGECPKZQK-FQEVSTJZSA-N 1 0 363.885 3.897 50 0 FHAARO COc1ccc([C@H](C[NH2+]Cc2ccc(OC)cc2OC)N2CCCC2)cc1 ZINC000022932977 570772523 /nfs/dbraw/zinc/77/25/23/570772523.db2.gz LROZQAGIGPGDQB-NRFANRHFSA-N 1 0 370.493 3.639 50 0 FHAARO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000004279522 570773206 /nfs/dbraw/zinc/77/32/06/570773206.db2.gz HGACYDIYCDKQBY-XJKSGUPXSA-N 1 0 350.256 3.540 50 0 FHAARO C[C@H](O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032739822 570789391 /nfs/dbraw/zinc/78/93/91/570789391.db2.gz CEWPYKVGVHOPST-HNNXBMFYSA-N 1 0 355.869 3.722 50 0 FHAARO Cc1cc(NC(=O)CC[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)no1 ZINC000032825547 570816680 /nfs/dbraw/zinc/81/66/80/570816680.db2.gz OSTJJCMAXMYQFI-UHFFFAOYSA-N 1 0 369.465 3.523 50 0 FHAARO CCc1ccc(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)s1 ZINC000032824794 570816871 /nfs/dbraw/zinc/81/68/71/570816871.db2.gz ZGGCNNVHTYCRFJ-UHFFFAOYSA-N 1 0 371.550 3.561 50 0 FHAARO CC(C)[NH+](CCNC(=O)Cc1csc(-c2cccs2)n1)C(C)C ZINC000032841434 570820110 /nfs/dbraw/zinc/82/01/10/570820110.db2.gz IREZHRFCBLXDAL-UHFFFAOYSA-N 1 0 351.541 3.649 50 0 FHAARO CC(=O)Nc1ccc(OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000032868874 570824322 /nfs/dbraw/zinc/82/43/22/570824322.db2.gz DMUNLKNHGBZSSF-UHFFFAOYSA-N 1 0 352.434 3.850 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1oc2c(c1C)C(=O)CCC2)c1ccccc1 ZINC000032921970 570862544 /nfs/dbraw/zinc/86/25/44/570862544.db2.gz MZDIGOCTLZGFPY-QGZVFWFLSA-N 1 0 368.477 3.920 50 0 FHAARO CC[NH+](CC)Cc1ccc(C(=O)OCC(=O)c2cc(F)ccc2OC)cc1 ZINC000032922172 570862900 /nfs/dbraw/zinc/86/29/00/570862900.db2.gz DHLSJQMMWBYLRH-UHFFFAOYSA-N 1 0 373.424 3.716 50 0 FHAARO Cc1ccccc1C[N@H+](C[C@@H](O)COc1ccccc1C)C[C@@H]1CCCO1 ZINC000104973103 570865729 /nfs/dbraw/zinc/86/57/29/570865729.db2.gz LPBYLAZOYHYLRD-YADHBBJMSA-N 1 0 369.505 3.724 50 0 FHAARO CC[N@H+](C[C@@H](O)c1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983012 570866290 /nfs/dbraw/zinc/86/62/90/570866290.db2.gz JXAMYVRVCYAMKB-UYAOXDASSA-N 1 0 358.869 3.889 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(Br)ccc1F ZINC000046989066 570878236 /nfs/dbraw/zinc/87/82/36/570878236.db2.gz RTCYJBZEQVQUAN-CYBMUJFWSA-N 1 0 371.294 3.973 50 0 FHAARO CCCOc1cccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000047500641 570889944 /nfs/dbraw/zinc/88/99/44/570889944.db2.gz GNPGGHRGWBKBDT-UHFFFAOYSA-N 1 0 368.481 3.657 50 0 FHAARO O=C(Cc1ccc2c(c1)CCC2)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000044719575 570899113 /nfs/dbraw/zinc/89/91/13/570899113.db2.gz CAPMIPCAZRFXHN-IBGZPJMESA-N 1 0 354.519 3.733 50 0 FHAARO Fc1ccc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000020058106 570909543 /nfs/dbraw/zinc/90/95/43/570909543.db2.gz BXXXUHPRKTUHJD-UHFFFAOYSA-N 1 0 353.485 3.612 50 0 FHAARO O=C(CCC(=O)c1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000048312973 570946440 /nfs/dbraw/zinc/94/64/40/570946440.db2.gz JUZRIUNQYHAMTK-KRWDZBQOSA-N 1 0 356.491 3.664 50 0 FHAARO O=C(CCC(=O)c1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000048312976 570946575 /nfs/dbraw/zinc/94/65/75/570946575.db2.gz JUZRIUNQYHAMTK-QGZVFWFLSA-N 1 0 356.491 3.664 50 0 FHAARO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1cnn(-c2ccccc2)c1 ZINC000028901163 570950018 /nfs/dbraw/zinc/95/00/18/570950018.db2.gz JCASDFWERKWIFC-UHFFFAOYSA-N 1 0 368.868 3.986 50 0 FHAARO COc1cc([C@@H](C)[NH2+]Cc2cnc(N3CCCC3)nc2)ccc1OC(C)C ZINC000048710140 570958507 /nfs/dbraw/zinc/95/85/07/570958507.db2.gz JUXPBHJTMLTEQC-MRXNPFEDSA-N 1 0 370.497 3.723 50 0 FHAARO CCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)c1 ZINC000048712588 570958893 /nfs/dbraw/zinc/95/88/93/570958893.db2.gz GZOUYKDNYJKKNI-UHFFFAOYSA-N 1 0 356.441 3.619 50 0 FHAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000049590364 570964999 /nfs/dbraw/zinc/96/49/99/570964999.db2.gz IUBZIBIHDUTHTE-ZDUSSCGKSA-N 1 0 370.371 3.530 50 0 FHAARO CC[NH+](CC)Cc1cccc(NC(=O)Cc2ccc(OC)cc2OC)c1 ZINC000024926199 570986248 /nfs/dbraw/zinc/98/62/48/570986248.db2.gz AVMCWMJLEIKJRW-UHFFFAOYSA-N 1 0 356.466 3.727 50 0 FHAARO COc1cccc(NC(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000025061228 570990059 /nfs/dbraw/zinc/99/00/59/570990059.db2.gz RVMYKIPAAHCWTF-UYAOXDASSA-N 1 0 351.450 3.843 50 0 FHAARO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025332027 570994575 /nfs/dbraw/zinc/99/45/75/570994575.db2.gz GEQDUXQRUGHGLU-SFHVURJKSA-N 1 0 369.490 3.673 50 0 FHAARO CSc1ncccc1C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025536642 570996923 /nfs/dbraw/zinc/99/69/23/570996923.db2.gz HWURZQOHMMJDTK-IBGZPJMESA-N 1 0 369.534 3.616 50 0 FHAARO CCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1OCC ZINC000025720697 570999243 /nfs/dbraw/zinc/99/92/43/570999243.db2.gz UEPVIJALPKDXKY-OAHLLOKOSA-N 1 0 362.495 3.578 50 0 FHAARO O=C(NC1CC[NH+](CCSc2ccccc2F)CC1)c1ccccc1 ZINC000025828619 571001038 /nfs/dbraw/zinc/00/10/38/571001038.db2.gz CNZHVCBUFKFUKA-UHFFFAOYSA-N 1 0 358.482 3.812 50 0 FHAARO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CCC(=O)NC1CC1 ZINC000026913061 571009190 /nfs/dbraw/zinc/00/91/90/571009190.db2.gz HKLQFHYQMAODCN-INIZCTEOSA-N 1 0 365.477 3.600 50 0 FHAARO COc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)c1 ZINC000027581720 571014576 /nfs/dbraw/zinc/01/45/76/571014576.db2.gz AWOABZLSRKALFW-NRFANRHFSA-N 1 0 352.478 3.961 50 0 FHAARO O=C(COc1ccccc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027583857 571015037 /nfs/dbraw/zinc/01/50/37/571015037.db2.gz LDERTSPJYRHYSU-IBGZPJMESA-N 1 0 358.869 3.672 50 0 FHAARO COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000027583903 571015080 /nfs/dbraw/zinc/01/50/80/571015080.db2.gz MVOKRMWMBCMZRV-NRFANRHFSA-N 1 0 352.478 3.961 50 0 FHAARO COc1ccc(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027662187 571016933 /nfs/dbraw/zinc/01/69/33/571016933.db2.gz AHOXJWOHDZHXJV-HXUWFJFHSA-N 1 0 372.896 3.844 50 0 FHAARO Cc1ccccc1OCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027664276 571018221 /nfs/dbraw/zinc/01/82/21/571018221.db2.gz MAOIBXXALUGVLE-LJQANCHMSA-N 1 0 372.896 3.981 50 0 FHAARO COc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027747908 571019931 /nfs/dbraw/zinc/01/99/31/571019931.db2.gz JGGGGOPNCBGYGC-SFHVURJKSA-N 1 0 358.507 3.643 50 0 FHAARO CC1CC[NH+](CCCNC(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000028070351 571026734 /nfs/dbraw/zinc/02/67/34/571026734.db2.gz QYSLQFCRPRUXHR-UHFFFAOYSA-N 1 0 355.482 3.512 50 0 FHAARO COc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000028291492 571029974 /nfs/dbraw/zinc/02/99/74/571029974.db2.gz FQWOHGLQEKFOOE-KRWDZBQOSA-N 1 0 358.507 3.960 50 0 FHAARO COCc1c(C(=O)N2CCCC[C@H]2C[NH+](C)C)sc2cccc(F)c21 ZINC000066948784 571042740 /nfs/dbraw/zinc/04/27/40/571042740.db2.gz KSWLYYZXZSKPKO-ZDUSSCGKSA-N 1 0 364.486 3.743 50 0 FHAARO O=C(Nc1ccccn1)C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000052829101 571043683 /nfs/dbraw/zinc/04/36/83/571043683.db2.gz RBMREQDKJYHFOW-UHFFFAOYSA-N 1 0 364.424 3.620 50 0 FHAARO COC(=O)c1oc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C ZINC000029833284 571044196 /nfs/dbraw/zinc/04/41/96/571044196.db2.gz FXICGFMXZXFSAN-CQSZACIVSA-N 1 0 354.406 3.895 50 0 FHAARO CCO[C@@H]1C[C@@](O)(C[NH2+][C@H](C)c2ccc(Br)cc2)C1(C)C ZINC000225594514 571047865 /nfs/dbraw/zinc/04/78/65/571047865.db2.gz WYQRZWGOWFLJIE-SRCQZFHVSA-N 1 0 356.304 3.666 50 0 FHAARO Fc1ccc(-c2ccc(C[NH2+]Cc3ccnc(N4CCOCC4)c3)o2)cc1 ZINC000030900430 571052912 /nfs/dbraw/zinc/05/29/12/571052912.db2.gz CAHLWKPHOWRZDK-UHFFFAOYSA-N 1 0 367.424 3.607 50 0 FHAARO C[NH+](C)C1(CNC(=O)Nc2cccc(COCc3ccco3)c2)CCCC1 ZINC000083847859 571053005 /nfs/dbraw/zinc/05/30/05/571053005.db2.gz IVMNJVRBGAPEDU-UHFFFAOYSA-N 1 0 371.481 3.992 50 0 FHAARO O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cccc(Oc2ccncc2)c1 ZINC000072307222 571064175 /nfs/dbraw/zinc/06/41/75/571064175.db2.gz AOFXJYYCUKTACU-WOJBJXKFSA-N 1 0 362.433 3.984 50 0 FHAARO C[NH+](C)Cc1ccccc1CNC(=O)Cc1csc(-c2ccsc2)n1 ZINC000039984334 571066845 /nfs/dbraw/zinc/06/68/45/571066845.db2.gz OAIYHHBQEBCLJO-UHFFFAOYSA-N 1 0 371.531 3.792 50 0 FHAARO C[NH+]1CCC(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000039976696 571066921 /nfs/dbraw/zinc/06/69/21/571066921.db2.gz NPDJZJZMKUMTLV-UHFFFAOYSA-N 1 0 354.294 3.548 50 0 FHAARO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000040005790 571067880 /nfs/dbraw/zinc/06/78/80/571067880.db2.gz KNCWLXZCJZTWOG-NEFAXPCMSA-N 1 0 358.530 3.939 50 0 FHAARO Cc1noc2nc(-c3ccco3)cc(C(=O)NCC[NH+](C(C)C)C(C)C)c12 ZINC000040039874 571069515 /nfs/dbraw/zinc/06/95/15/571069515.db2.gz DMKAXVBAKUUNAA-UHFFFAOYSA-N 1 0 370.453 3.640 50 0 FHAARO COc1cc(CCC(=O)Nc2ccccc2C[NH+]2CCCC2)cc(OC)c1 ZINC000040090888 571075219 /nfs/dbraw/zinc/07/52/19/571075219.db2.gz MDNDKZGHECOSSN-UHFFFAOYSA-N 1 0 368.477 3.871 50 0 FHAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101999 571079579 /nfs/dbraw/zinc/07/95/79/571079579.db2.gz WKVFMLMOFGBRQT-NRFANRHFSA-N 1 0 373.468 3.841 50 0 FHAARO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCO2)c1OC(C)C ZINC000040728490 571093642 /nfs/dbraw/zinc/09/36/42/571093642.db2.gz UZUQUYKLUVOADK-AWEZNQCLSA-N 1 0 358.276 3.514 50 0 FHAARO O=C(NC1CC1)C1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000084522636 571088403 /nfs/dbraw/zinc/08/84/03/571088403.db2.gz VXRYCAOXCGDDNR-NRFANRHFSA-N 1 0 352.453 3.906 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000040160254 571089811 /nfs/dbraw/zinc/08/98/11/571089811.db2.gz VBPFFZRYLVQOQE-GFCCVEGCSA-N 1 0 365.836 3.657 50 0 FHAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]CCN2CCOCC2)c1 ZINC000040720887 571092872 /nfs/dbraw/zinc/09/28/72/571092872.db2.gz OAWBJPBXZJDDQU-UHFFFAOYSA-N 1 0 374.912 3.649 50 0 FHAARO Cc1ccc(OCC[N@@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000012776123 571094757 /nfs/dbraw/zinc/09/47/57/571094757.db2.gz FZFVNWSUYYUIAN-UHFFFAOYSA-N 1 0 353.418 3.626 50 0 FHAARO CCOc1cc(C[NH2+]CCO)ccc1OCc1c(F)cccc1Cl ZINC000040737316 571094758 /nfs/dbraw/zinc/09/47/58/571094758.db2.gz XIJIJDGRRSPAOQ-UHFFFAOYSA-N 1 0 353.821 3.539 50 0 FHAARO OCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000040744890 571096380 /nfs/dbraw/zinc/09/63/80/571096380.db2.gz LLIQCWTUEOSDJY-UHFFFAOYSA-N 1 0 368.246 3.639 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)CCCSc3ccccc3)cc2)CC1 ZINC000009117974 571097457 /nfs/dbraw/zinc/09/74/57/571097457.db2.gz BOMFDAHXDALCMA-UHFFFAOYSA-N 1 0 369.534 3.949 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)CSCc3ccccc3)cc2)CC1 ZINC000009322936 571105210 /nfs/dbraw/zinc/10/52/10/571105210.db2.gz WFZBZDMXEDBSDH-UHFFFAOYSA-N 1 0 369.534 3.700 50 0 FHAARO Cc1ccc(SCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000009364259 571106428 /nfs/dbraw/zinc/10/64/28/571106428.db2.gz WQIKFDHIHXKVNM-UHFFFAOYSA-N 1 0 369.534 3.786 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000009368769 571107026 /nfs/dbraw/zinc/10/70/26/571107026.db2.gz HXSDNWSGCHHTER-UHFFFAOYSA-N 1 0 367.537 3.983 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cccn1Cc1cccs1)c1cccs1 ZINC000070004352 571107569 /nfs/dbraw/zinc/10/75/69/571107569.db2.gz UZEWIAASTMQTKR-MRXNPFEDSA-N 1 0 359.520 3.692 50 0 FHAARO C[C@@H](c1cccs1)N(C)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000048147732 571108070 /nfs/dbraw/zinc/10/80/70/571108070.db2.gz LKBIRJXCQKSMEF-HNNXBMFYSA-N 1 0 359.495 3.805 50 0 FHAARO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc[nH]c1=S ZINC000041400049 571110692 /nfs/dbraw/zinc/11/06/92/571110692.db2.gz OKGDXRYSUIFVEG-MRXNPFEDSA-N 1 0 361.898 3.591 50 0 FHAARO CC(C)C[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000006045852 571111880 /nfs/dbraw/zinc/11/18/80/571111880.db2.gz HCFACJOZXLBUAP-KRWDZBQOSA-N 1 0 359.857 3.856 50 0 FHAARO CC(C)c1nnsc1C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000244602009 571113771 /nfs/dbraw/zinc/11/37/71/571113771.db2.gz DVZVJGBFXYVQBM-CQSZACIVSA-N 1 0 355.511 3.993 50 0 FHAARO CN1CC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C[C@H]1c1ccccc1 ZINC000244691762 571114336 /nfs/dbraw/zinc/11/43/36/571114336.db2.gz JIVAPZRTILCRGT-QFIPXVFZSA-N 1 0 372.468 3.999 50 0 FHAARO CC(=O)c1c(C)[nH]c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1C ZINC000009607232 571115193 /nfs/dbraw/zinc/11/51/93/571115193.db2.gz XURCYKCPNOAZQK-UHFFFAOYSA-N 1 0 359.514 3.753 50 0 FHAARO CCCCc1ncc(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)[nH]1 ZINC000055119744 571116586 /nfs/dbraw/zinc/11/65/86/571116586.db2.gz TYZPMIFSLCJSDS-QFIPXVFZSA-N 1 0 355.526 3.960 50 0 FHAARO CC[C@H](C)[N@H+](Cc1ccc(Sc2nncn2C)o1)Cc1ccncc1 ZINC000055198109 571117343 /nfs/dbraw/zinc/11/73/43/571117343.db2.gz UMKMLPPEVYODHL-AWEZNQCLSA-N 1 0 357.483 3.755 50 0 FHAARO Cc1nccn1CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000244795670 571117481 /nfs/dbraw/zinc/11/74/81/571117481.db2.gz RLMUSEAHJVBCMO-GOSISDBHSA-N 1 0 351.454 3.511 50 0 FHAARO c1cc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@H]2CCCO2)cs1 ZINC000055271013 571118831 /nfs/dbraw/zinc/11/88/31/571118831.db2.gz FMRNJAVFNYMQPC-LJQANCHMSA-N 1 0 354.479 3.510 50 0 FHAARO O=C(NC1CC[NH+](Cc2cccs2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000057530828 571122699 /nfs/dbraw/zinc/12/26/99/571122699.db2.gz JDFJSTOYVLTFLF-UHFFFAOYSA-N 1 0 373.566 3.981 50 0 FHAARO Cc1cccc(Cn2nc(C[NH2+]CCCCCO)c(-c3ccccc3)n2)c1 ZINC000247939292 571126700 /nfs/dbraw/zinc/12/67/00/571126700.db2.gz UBWKHKCXOWSMIW-UHFFFAOYSA-N 1 0 364.493 3.554 50 0 FHAARO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1C ZINC000058192889 571128017 /nfs/dbraw/zinc/12/80/17/571128017.db2.gz NKHTWUIABJVYOK-INIZCTEOSA-N 1 0 373.522 3.538 50 0 FHAARO C[C@H]1Cc2ccccc2N1C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC000058229890 571129981 /nfs/dbraw/zinc/12/99/81/571129981.db2.gz HBRJXDZJNUMUQS-INIZCTEOSA-N 1 0 374.444 3.503 50 0 FHAARO O=C(CSc1ccccc1)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252485685 571132195 /nfs/dbraw/zinc/13/21/95/571132195.db2.gz HBRCMTKVFKTUAH-IBGZPJMESA-N 1 0 354.519 3.807 50 0 FHAARO COCC[N@@H+]1CC[C@@H](CN(C)C(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000252507754 571133452 /nfs/dbraw/zinc/13/34/52/571133452.db2.gz WTMXBMMYIRJHAL-KRWDZBQOSA-N 1 0 370.468 3.533 50 0 FHAARO Cc1cc(C)n(-c2ccccc2C[NH+]2CCC(Cn3ccnc3C)CC2)n1 ZINC000252510251 571133701 /nfs/dbraw/zinc/13/37/01/571133701.db2.gz ZFKUQCLECXJUFC-UHFFFAOYSA-N 1 0 363.509 3.906 50 0 FHAARO CC(=O)Nc1ccc(C[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000025312839 571143703 /nfs/dbraw/zinc/14/37/03/571143703.db2.gz BQXLAVJQBUQMHE-UHFFFAOYSA-N 1 0 351.219 3.836 50 0 FHAARO CCCn1nc(-c2cc(C)sc2C)cc1C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC000034902487 571147635 /nfs/dbraw/zinc/14/76/35/571147635.db2.gz CFZVORNGVGEEAI-MRXNPFEDSA-N 1 0 374.554 3.853 50 0 FHAARO COCc1ccc(C(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000025536808 571148116 /nfs/dbraw/zinc/14/81/16/571148116.db2.gz ZRDKQCYOMGWNII-QFIPXVFZSA-N 1 0 366.505 3.646 50 0 FHAARO CN(CC(=O)N(C)c1ccccc1)Cc1csc(Br)c1 ZINC000053331852 571148291 /nfs/dbraw/zinc/14/82/91/571148291.db2.gz MKQSDRQGVPKQPL-UHFFFAOYSA-N 1 0 353.285 3.605 50 0 FHAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(OC)cc1 ZINC000004679273 571158845 /nfs/dbraw/zinc/15/88/45/571158845.db2.gz RAOBFDFICMHWME-UHFFFAOYSA-N 1 0 355.413 3.956 50 0 FHAARO c1nc(N2CCCC2)sc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000072121960 571170283 /nfs/dbraw/zinc/17/02/83/571170283.db2.gz FSHNVWNDTTWKTB-UHFFFAOYSA-N 1 0 357.523 3.925 50 0 FHAARO O=C(CC[N@H+]1CCC[C@H](CCc2ccc(F)c(F)c2)C1)N1CCCC1 ZINC000072131736 571171151 /nfs/dbraw/zinc/17/11/51/571171151.db2.gz DNQFUEYXGSOSGJ-QGZVFWFLSA-N 1 0 350.453 3.622 50 0 FHAARO COc1c[nH]c(C[N@@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)cc1=O ZINC000072133704 571171331 /nfs/dbraw/zinc/17/13/31/571171331.db2.gz XMXUKTOPTLAFAZ-HNNXBMFYSA-N 1 0 362.420 3.919 50 0 FHAARO c1coc(-c2ncc(CN3CCC[N@H+](Cc4cccs4)CC3)cn2)c1 ZINC000072139062 571171728 /nfs/dbraw/zinc/17/17/28/571171728.db2.gz REEBYXZLYPQXHF-UHFFFAOYSA-N 1 0 354.479 3.506 50 0 FHAARO Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cc1F ZINC000072144189 571172441 /nfs/dbraw/zinc/17/24/41/571172441.db2.gz MPJMKVJSQXDVPF-MDNUFGMLSA-N 1 0 366.480 3.902 50 0 FHAARO COc1nc2ccccc2cc1C[N@@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000072144968 571172719 /nfs/dbraw/zinc/17/27/19/571172719.db2.gz DUSPCJULLXZOCN-FQEVSTJZSA-N 1 0 363.461 3.820 50 0 FHAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)c1OC ZINC000072145525 571172847 /nfs/dbraw/zinc/17/28/47/571172847.db2.gz WIUMHUIGLWQYTB-JOCHJYFZSA-N 1 0 358.526 3.792 50 0 FHAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000072150786 571174337 /nfs/dbraw/zinc/17/43/37/571174337.db2.gz BYYXFLUMIAYUML-NRFANRHFSA-N 1 0 365.521 3.525 50 0 FHAARO Nc1ncccc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072152425 571174789 /nfs/dbraw/zinc/17/47/89/571174789.db2.gz AJRCHRDQBSGPLU-UHFFFAOYSA-N 1 0 358.489 3.571 50 0 FHAARO C[N@H+](Cc1cc(-c2ccncc2)no1)Cc1ccccc1Cn1cccn1 ZINC000072157252 571175132 /nfs/dbraw/zinc/17/51/32/571175132.db2.gz LRSKGYPJLOWZLF-UHFFFAOYSA-N 1 0 359.433 3.613 50 0 FHAARO COc1cccc(OC[C@H]2CCC[N@H+](Cc3ccc(O)c(OC)c3)C2)c1 ZINC000072164368 571176272 /nfs/dbraw/zinc/17/62/72/571176272.db2.gz ZQORNXSFFUMLOW-KRWDZBQOSA-N 1 0 357.450 3.700 50 0 FHAARO Cc1nc[nH]c1C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000072167493 571177040 /nfs/dbraw/zinc/17/70/40/571177040.db2.gz CMPOEBVELDLCTR-UHFFFAOYSA-N 1 0 361.489 3.866 50 0 FHAARO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4F)o3)C2)cc(=O)[nH]1 ZINC000072173936 571177784 /nfs/dbraw/zinc/17/77/84/571177784.db2.gz HIDRZTBWQVCAFY-OAHLLOKOSA-N 1 0 367.424 3.857 50 0 FHAARO FC(F)(F)c1cccc(N2CC[NH+](Cn3cnc4ccccc43)CC2)c1 ZINC000012556883 571181304 /nfs/dbraw/zinc/18/13/04/571181304.db2.gz NRCKNHZUXHLSHG-UHFFFAOYSA-N 1 0 360.383 3.835 50 0 FHAARO CC(C)Sc1ccc(CC(=O)N2CCCSC[C@H]2C[NH+](C)C)cc1 ZINC000090700129 571186316 /nfs/dbraw/zinc/18/63/16/571186316.db2.gz RVBCSPFINXDYQP-QGZVFWFLSA-N 1 0 366.596 3.625 50 0 FHAARO Cc1nc[nH]c1C[N@@H+]1CCCC12CCN(c1nc3ccccc3s1)CC2 ZINC000072408896 571191424 /nfs/dbraw/zinc/19/14/24/571191424.db2.gz YBCPIRPOTSJGNG-UHFFFAOYSA-N 1 0 367.522 3.963 50 0 FHAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)c1ccn(C(F)F)n1 ZINC000072448142 571197350 /nfs/dbraw/zinc/19/73/50/571197350.db2.gz MOUZZYXHDGCWQS-UHFFFAOYSA-N 1 0 354.445 3.539 50 0 FHAARO CC(C)[NH+]1CCC(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000073435036 571200934 /nfs/dbraw/zinc/20/09/34/571200934.db2.gz BXYCKZCBBCHFCF-HXUWFJFHSA-N 1 0 355.457 3.547 50 0 FHAARO CCc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(OC)cc2)on1 ZINC000075448518 571203247 /nfs/dbraw/zinc/20/32/47/571203247.db2.gz FWADTKASFRFBGY-SFHVURJKSA-N 1 0 352.438 3.973 50 0 FHAARO CCc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(OC)cc2)on1 ZINC000075448525 571203256 /nfs/dbraw/zinc/20/32/56/571203256.db2.gz FWADTKASFRFBGY-GOSISDBHSA-N 1 0 352.438 3.973 50 0 FHAARO CCn1cc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000077286409 571206122 /nfs/dbraw/zinc/20/61/22/571206122.db2.gz UUKOVZHLMHKTAX-HXUWFJFHSA-N 1 0 354.498 3.640 50 0 FHAARO Cc1ccc2c(c1)c(-c1cccc(C(=O)N(C)CCC[NH+](C)C)c1)nn2C ZINC000534659618 571208004 /nfs/dbraw/zinc/20/80/04/571208004.db2.gz BKODNMWRZIRMFJ-UHFFFAOYSA-N 1 0 364.493 3.572 50 0 FHAARO O=C(c1ccc2[nH]ccc2c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077408132 571210892 /nfs/dbraw/zinc/21/08/92/571210892.db2.gz HPDRNMXWZGFEDR-UHFFFAOYSA-N 1 0 361.489 3.949 50 0 FHAARO Cc1ccc([C@@H]2CN(C(=O)CSc3ccccc3)C[C@H]2[NH+](C)C)cc1 ZINC000077425826 571211167 /nfs/dbraw/zinc/21/11/67/571211167.db2.gz HFYKIQNWIYKKKD-VQTJNVASSA-N 1 0 354.519 3.643 50 0 FHAARO O=C1Nc2ccccc2NC12CC[NH+](CCSc1ccccc1)CC2 ZINC000077438254 571211297 /nfs/dbraw/zinc/21/12/97/571211297.db2.gz OHAHVTSUYMMHRW-UHFFFAOYSA-N 1 0 353.491 3.678 50 0 FHAARO COc1cccc2ccc(C[N@@H+]3CCCC[C@@H]3CCn3cccn3)nc21 ZINC000077469803 571212506 /nfs/dbraw/zinc/21/25/06/571212506.db2.gz KSEKNHMIMGKBGP-LJQANCHMSA-N 1 0 350.466 3.885 50 0 FHAARO Cc1ccc([C@@H]2CN(C(=O)c3cn(C)c4ccccc34)C[C@H]2[NH+](C)C)cc1 ZINC000077470700 571212955 /nfs/dbraw/zinc/21/29/55/571212955.db2.gz YPFIUIBYRTVBTL-SIKLNZKXSA-N 1 0 361.489 3.657 50 0 FHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc(CO)cc2)cc1 ZINC000077535129 571214778 /nfs/dbraw/zinc/21/47/78/571214778.db2.gz HHLIUPDSDOEOJX-QFIPXVFZSA-N 1 0 366.505 3.537 50 0 FHAARO CSc1ccc(CNC(=O)N(C)Cc2ccc3c(c2)C[N@@H+](C)C3)cc1 ZINC000426376603 571216813 /nfs/dbraw/zinc/21/68/13/571216813.db2.gz YUNBGHVWQKWKRS-UHFFFAOYSA-N 1 0 355.507 3.696 50 0 FHAARO O=C(CCC(=O)Nc1ccccc1)NC[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000426387979 571218419 /nfs/dbraw/zinc/21/84/19/571218419.db2.gz QQVNEORQUHRCTN-SFHVURJKSA-N 1 0 371.525 3.566 50 0 FHAARO O=C(NCCCC[NH+]1CCCC1)c1ccc(-c2cc(F)ccc2O)cc1 ZINC000426399352 571220182 /nfs/dbraw/zinc/22/01/82/571220182.db2.gz FOZPAXCKYWTORB-UHFFFAOYSA-N 1 0 356.441 3.804 50 0 FHAARO CN(Cc1cscn1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426431024 571224676 /nfs/dbraw/zinc/22/46/76/571224676.db2.gz JFRDSHAWYMWMTJ-IBGZPJMESA-N 1 0 372.538 3.902 50 0 FHAARO Cc1c(Cl)cccc1-c1ccc(C(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000426465378 571226638 /nfs/dbraw/zinc/22/66/38/571226638.db2.gz ZTCCPYDGAVNRHX-UHFFFAOYSA-N 1 0 372.896 3.502 50 0 FHAARO CCCS(=O)(=O)Nc1ccccc1CCc1nc2ccccc2n1CC ZINC000033275347 571227273 /nfs/dbraw/zinc/22/72/73/571227273.db2.gz MACBGJUHMOPDAH-UHFFFAOYSA-N 1 0 371.506 3.993 50 0 FHAARO [NH3+][C@@H]1CCCCN(Cc2cc(-c3ccccc3OC(F)(F)F)no2)C1 ZINC000082087908 571227862 /nfs/dbraw/zinc/22/78/62/571227862.db2.gz DVTBXKNHMFETPS-GFCCVEGCSA-N 1 0 355.360 3.553 50 0 FHAARO Cc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)c2cccc(C)c2n1 ZINC000082108862 571228371 /nfs/dbraw/zinc/22/83/71/571228371.db2.gz AXXMJYKSHCJENJ-FQEVSTJZSA-N 1 0 373.500 3.980 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cccc(F)c3F)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426497160 571228608 /nfs/dbraw/zinc/22/86/08/571228608.db2.gz HTERHJWECQOICD-PLMTUMEDSA-N 1 0 374.431 3.951 50 0 FHAARO Cc1c(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)c2cccc3c2n1CCC3 ZINC000082137279 571229095 /nfs/dbraw/zinc/22/90/95/571229095.db2.gz MADDXIIKLQTOEJ-LJQANCHMSA-N 1 0 368.521 3.756 50 0 FHAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccco3)C2)CN1CCc1ccccc1 ZINC000082147372 571229236 /nfs/dbraw/zinc/22/92/36/571229236.db2.gz KEUJMPTVKGLNPC-QFIPXVFZSA-N 1 0 352.478 3.727 50 0 FHAARO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1ccc3[nH]ccc3c1)CC2 ZINC000426510878 571229352 /nfs/dbraw/zinc/22/93/52/571229352.db2.gz RACYJIXVZSPOHV-HXUWFJFHSA-N 1 0 359.473 3.806 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cccc4c(C)cccc34)[C@H]1C[C@@H](OCCO)CC2 ZINC000426525974 571230106 /nfs/dbraw/zinc/23/01/06/571230106.db2.gz FBFWRQFXLUUKFZ-AJSBUHFISA-N 1 0 369.505 3.669 50 0 FHAARO CCCN(Cc1ccncc1)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000426726692 571236721 /nfs/dbraw/zinc/23/67/21/571236721.db2.gz DIFOKEVMKXVPOZ-UHFFFAOYSA-N 1 0 358.530 3.658 50 0 FHAARO COc1cccc(CNC(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)c1 ZINC000426737505 571236888 /nfs/dbraw/zinc/23/68/88/571236888.db2.gz MRNPPPRNNXHUPY-UHFFFAOYSA-N 1 0 367.493 3.633 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000006627110 571237827 /nfs/dbraw/zinc/23/78/27/571237827.db2.gz JCDYJYAVTWCEQV-HUUCEWRRSA-N 1 0 353.491 3.901 50 0 FHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000006652563 571239341 /nfs/dbraw/zinc/23/93/41/571239341.db2.gz WUYSPNQVJWONKD-HNNXBMFYSA-N 1 0 368.355 3.745 50 0 FHAARO Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)c(C)c1 ZINC000091444479 571239704 /nfs/dbraw/zinc/23/97/04/571239704.db2.gz WBCNGILYSOZGGL-VQTJNVASSA-N 1 0 364.493 3.827 50 0 FHAARO CCc1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000006660991 571239749 /nfs/dbraw/zinc/23/97/49/571239749.db2.gz XZNQFOFBCJCCKZ-ZHACJKMWSA-N 1 0 355.507 3.714 50 0 FHAARO COc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COc2ccccc2)cc1 ZINC000036095290 571240880 /nfs/dbraw/zinc/24/08/80/571240880.db2.gz CDUMUPMRWQWDCJ-FQEVSTJZSA-N 1 0 357.494 3.983 50 0 FHAARO CC(C)COC[C@@H](O)C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036099522 571241331 /nfs/dbraw/zinc/24/13/31/571241331.db2.gz PQUJECWXDPBLAT-IBGZPJMESA-N 1 0 351.487 3.923 50 0 FHAARO CCN1C[C@]2(CCC[N@H+](Cc3cncn3C3CCCCC3)C2)CCC1=O ZINC000091713416 571242690 /nfs/dbraw/zinc/24/26/90/571242690.db2.gz BQVGPAKXYDRDAV-OAQYLSRUSA-N 1 0 358.530 3.613 50 0 FHAARO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC000091713450 571242715 /nfs/dbraw/zinc/24/27/15/571242715.db2.gz IOAMXZOACYUCSC-NRFANRHFSA-N 1 0 370.537 3.503 50 0 FHAARO O[C@@H]1C[C@H](O)C12CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000091745560 571243135 /nfs/dbraw/zinc/24/31/35/571243135.db2.gz KRCMIUPOEASKBL-BGYRXZFFSA-N 1 0 373.880 3.840 50 0 FHAARO CSc1nc2c3c(sc2c(SCC[NH+](C)C)n1)CC(C)(C)OC3 ZINC000006756219 571245284 /nfs/dbraw/zinc/24/52/84/571245284.db2.gz KWBCABGHUQGNFF-UHFFFAOYSA-N 1 0 369.581 3.918 50 0 FHAARO CC1(C)C[C@](CC[NH2+]CCCN2CCOCC2)(Cc2ccccc2)CCO1 ZINC000006759587 571245428 /nfs/dbraw/zinc/24/54/28/571245428.db2.gz OMMMTYVSSFZZFI-QHCPKHFHSA-N 1 0 374.569 3.507 50 0 FHAARO CC[C@H](C)[N@@H+](Cc1cccn1C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169677955 571246936 /nfs/dbraw/zinc/24/69/36/571246936.db2.gz AAQZKWCVEUMXET-MAUKXSAKSA-N 1 0 350.890 3.719 50 0 FHAARO CC(C)[N@H+](CCCNC(=O)c1noc2c1CCCCC2)Cc1ccccc1 ZINC000007000083 571256577 /nfs/dbraw/zinc/25/65/77/571256577.db2.gz ASISDOFHVYHZNZ-UHFFFAOYSA-N 1 0 369.509 3.974 50 0 FHAARO Cc1cccc(NC(=O)c2ccc(N3CC[NH2+][C@@H](c4ccccc4)C3)nc2)c1 ZINC000065256069 571257800 /nfs/dbraw/zinc/25/78/00/571257800.db2.gz SIDCEPDAQCIMJA-OAQYLSRUSA-N 1 0 372.472 3.793 50 0 FHAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=S)NCc1ccc(F)cc1 ZINC000036847573 571263399 /nfs/dbraw/zinc/26/33/99/571263399.db2.gz LMUUPPIRYJFXKG-UHFFFAOYSA-N 1 0 359.514 3.830 50 0 FHAARO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)cc1F ZINC000065622520 571265730 /nfs/dbraw/zinc/26/57/30/571265730.db2.gz AIXYMAULJZSBFX-OAQYLSRUSA-N 1 0 352.453 3.970 50 0 FHAARO O=C(NC1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000170614513 571268102 /nfs/dbraw/zinc/26/81/02/571268102.db2.gz FQKSKVINDFNZQZ-IAGOWNOFSA-N 1 0 354.416 3.746 50 0 FHAARO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000076021853 571273749 /nfs/dbraw/zinc/27/37/49/571273749.db2.gz GBSOZZTXUXRUSH-UWJYYQICSA-N 1 0 368.477 3.656 50 0 FHAARO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000089920340 571274058 /nfs/dbraw/zinc/27/40/58/571274058.db2.gz KEYLEUDRBQUABH-MAUKXSAKSA-N 1 0 350.441 3.999 50 0 FHAARO CC1CC[NH+](Cc2ccc(CNC(=O)c3cnoc3C3CC3)cc2)CC1 ZINC000089929978 571274081 /nfs/dbraw/zinc/27/40/81/571274081.db2.gz OTRQLSPSYQSUNB-UHFFFAOYSA-N 1 0 353.466 3.714 50 0 FHAARO COc1ccc(CN(C)Cn2ncnc2-c2ccccc2Cl)cc1F ZINC000054430414 571276921 /nfs/dbraw/zinc/27/69/21/571276921.db2.gz BJVFJNYXEMHVKC-UHFFFAOYSA-N 1 0 360.820 3.836 50 0 FHAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000237490643 571277284 /nfs/dbraw/zinc/27/72/84/571277284.db2.gz HOOBDFSUJDGDDA-PBHICJAKSA-N 1 0 363.436 3.993 50 0 FHAARO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1cc[nH]n1 ZINC000252492525 571280979 /nfs/dbraw/zinc/28/09/79/571280979.db2.gz MOMJZCWIENVEMG-CYBMUJFWSA-N 1 0 364.287 3.571 50 0 FHAARO O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252511016 571281631 /nfs/dbraw/zinc/28/16/31/571281631.db2.gz CXXATKSZDPCJHS-GJZGRUSLSA-N 1 0 373.884 3.671 50 0 FHAARO CC(C)[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000252535959 571282817 /nfs/dbraw/zinc/28/28/17/571282817.db2.gz HHTKXRMOVBHAQG-FQEVSTJZSA-N 1 0 357.542 3.771 50 0 FHAARO CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000007681192 571285657 /nfs/dbraw/zinc/28/56/57/571285657.db2.gz MZFDVYQHSJXKKI-AWEZNQCLSA-N 1 0 357.429 3.806 50 0 FHAARO COc1cc2c(cc1OC)[C@H](N1CC[NH+](C)CC1)Cc1ccccc1S2 ZINC000033884270 571308474 /nfs/dbraw/zinc/30/84/74/571308474.db2.gz NJINVTPOJJDKII-QGZVFWFLSA-N 1 0 370.518 3.700 50 0 FHAARO C[C@@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1cnn(-c2ccc(F)cc2)c1 ZINC000584891620 571314615 /nfs/dbraw/zinc/31/46/15/571314615.db2.gz SIEYIJFXZOUBIY-MRXNPFEDSA-N 1 0 368.456 3.920 50 0 FHAARO C[C@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1cnn(-c2ccc(F)cc2)c1 ZINC000584891619 571314723 /nfs/dbraw/zinc/31/47/23/571314723.db2.gz SIEYIJFXZOUBIY-INIZCTEOSA-N 1 0 368.456 3.920 50 0 FHAARO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc3c(c2)N(C)CCO3)c1 ZINC000253432963 571316580 /nfs/dbraw/zinc/31/65/80/571316580.db2.gz QHCHXLIJZURINV-UHFFFAOYSA-N 1 0 353.466 3.609 50 0 FHAARO C[N@H+](CC(=O)NCCc1ccc(F)cc1)CC12CC3CC(CC(C3)C1)C2 ZINC000027782504 571321382 /nfs/dbraw/zinc/32/13/82/571321382.db2.gz AIGLTTJBWJPZHN-UHFFFAOYSA-N 1 0 358.501 3.633 50 0 FHAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000012524031 571322514 /nfs/dbraw/zinc/32/25/14/571322514.db2.gz NGGKDTCGSHXTLI-PNJWGLBASA-N 1 0 374.569 3.647 50 0 FHAARO CCc1ccc2[nH]c(C)c(C[NH+]3CCN(c4ccccc4)CC3)c(=O)c2c1 ZINC000019793699 571327285 /nfs/dbraw/zinc/32/72/85/571327285.db2.gz IZUXEVAOTADWLI-UHFFFAOYSA-N 1 0 361.489 3.721 50 0 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CCOC(=O)Nc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)c1 ZINC000058244248 212000164 /nfs/dbraw/zinc/00/01/64/212000164.db2.gz LDUSQIDIJTXIKQ-GOSISDBHSA-N 1 0 373.497 3.782 50 0 FHAARO Cc1ccc(C(=O)Nc2cc(NC(=O)[C@@H](C)[NH+]3CCCC3)ccc2C)cc1 ZINC000055281548 211941893 /nfs/dbraw/zinc/94/18/93/211941893.db2.gz JQZJAFFQRGLYEP-QGZVFWFLSA-N 1 0 365.477 3.979 50 0 FHAARO S=C(Nc1ccccc1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000013577106 220076038 /nfs/dbraw/zinc/07/60/38/220076038.db2.gz LCOUYPXNEIZLIA-FQEVSTJZSA-N 1 0 351.519 3.559 50 0 FHAARO Cc1c(Cl)cccc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047326072 211851006 /nfs/dbraw/zinc/85/10/06/211851006.db2.gz AJVJOLDLUPYGAV-UHFFFAOYSA-N 1 0 358.873 3.830 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccccc2Br)C1 ZINC000013671166 220082085 /nfs/dbraw/zinc/08/20/85/220082085.db2.gz OCFAFQONPGNIGR-ZIAGYGMSSA-N 1 0 353.304 3.547 50 0 FHAARO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1cccs1 ZINC000014169117 220112291 /nfs/dbraw/zinc/11/22/91/220112291.db2.gz FQYPBXHVPSBASF-NSHDSACASA-N 1 0 374.325 3.635 50 0 FHAARO COc1cc(C[N@H+](C)CCc2ccccc2)cc(Br)c1O ZINC000016662952 220189379 /nfs/dbraw/zinc/18/93/79/220189379.db2.gz QVKMCAZRTQQDEG-UHFFFAOYSA-N 1 0 350.256 3.838 50 0 FHAARO CN1CCN(C(=O)c2ccc(Br)cc2)[C@H](c2ccccc2)C1 ZINC000018232276 220228756 /nfs/dbraw/zinc/22/87/56/220228756.db2.gz OBOCQMAQZAKFAK-KRWDZBQOSA-N 1 0 359.267 3.578 50 0 FHAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1noc2c1COc1ccccc1-2 ZINC000033028840 211584664 /nfs/dbraw/zinc/58/46/64/211584664.db2.gz WXYLTAPKMCVCLW-GJZGRUSLSA-N 1 0 369.465 3.617 50 0 FHAARO Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)c1 ZINC000027663923 211468503 /nfs/dbraw/zinc/46/85/03/211468503.db2.gz WUIKHIBFPMGWRC-SFHVURJKSA-N 1 0 358.507 3.779 50 0 FHAARO CC(C)(C)OC(=O)N1CCC(C)([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000023471850 211388698 /nfs/dbraw/zinc/38/86/98/211388698.db2.gz ADWDLBFPPGSCGZ-UHFFFAOYSA-N 1 0 373.541 3.594 50 0 FHAARO CC(C)c1cc(C(C)C)n([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)n1 ZINC000023369543 211387921 /nfs/dbraw/zinc/38/79/21/211387921.db2.gz KCTPWNVUSSINSL-RTWAWAEBSA-N 1 0 353.510 3.715 50 0 FHAARO CNC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)s2)s1 ZINC000023369532 211387697 /nfs/dbraw/zinc/38/76/97/211387697.db2.gz LUROEDAFDWLPGR-AWEZNQCLSA-N 1 0 372.519 3.896 50 0 FHAARO CCOc1ccc(CN2CC[N@H+](Cc3ccc(C)s3)C[C@@H]2CCO)cc1 ZINC000023372879 211386230 /nfs/dbraw/zinc/38/62/30/211386230.db2.gz VXPMMMFXVZFOIM-IBGZPJMESA-N 1 0 374.550 3.524 50 0 FHAARO COc1cc2c(cc1CN[C@H]1CCC[N@H+](CC3CCCCC3)C1)OCO2 ZINC000023358958 211384488 /nfs/dbraw/zinc/38/44/88/211384488.db2.gz LTMZAKDDSSSKGD-SFHVURJKSA-N 1 0 360.498 3.558 50 0 FHAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000022936078 211372231 /nfs/dbraw/zinc/37/22/31/211372231.db2.gz DZTUXFXXAFSYLR-HXUWFJFHSA-N 1 0 372.484 3.987 50 0 FHAARO O=C(CCN1CC[NH+](Cc2cccs2)CC1)Nc1ccccc1Cl ZINC000022932119 211369963 /nfs/dbraw/zinc/36/99/63/211369963.db2.gz FVAWSTZQWZLEPG-UHFFFAOYSA-N 1 0 363.914 3.548 50 0 FHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000022335363 211346913 /nfs/dbraw/zinc/34/69/13/211346913.db2.gz ANFDYBVPKDZCBI-OAHLLOKOSA-N 1 0 359.470 3.591 50 0 FHAARO O=C(NCC[NH+]1CCCCC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934581 211331835 /nfs/dbraw/zinc/33/18/35/211331835.db2.gz FMIMXUTWXBVOPE-UHFFFAOYSA-N 1 0 360.461 3.513 50 0 FHAARO CCOc1ccc(Br)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000022075941 211336889 /nfs/dbraw/zinc/33/68/89/211336889.db2.gz KRJJMUBBDHCIKO-INIZCTEOSA-N 1 0 350.256 3.671 50 0 FHAARO COc1cccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCC(C)CC2)c1 ZINC000021659761 211318650 /nfs/dbraw/zinc/31/86/50/211318650.db2.gz QEXLXXFQISXFDJ-IBGZPJMESA-N 1 0 356.466 3.800 50 0 FHAARO COC[C@@H](C)[NH2+]Cc1ccc(OC)c(-c2cccc(-c3cc[nH]n3)c2)c1 ZINC000020999597 211304005 /nfs/dbraw/zinc/30/40/05/211304005.db2.gz LFNDKQPQPZEVLL-OAHLLOKOSA-N 1 0 351.450 3.877 50 0 FHAARO CCC[C@@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756584 211294657 /nfs/dbraw/zinc/29/46/57/211294657.db2.gz MCPXRMSANKDTNK-DHIUTWEWSA-N 1 0 369.505 3.799 50 0 FHAARO O=C(COc1ccccc1Cl)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021148655 211308959 /nfs/dbraw/zinc/30/89/59/211308959.db2.gz ADBXCDZKAHPWCX-KRWDZBQOSA-N 1 0 364.917 3.976 50 0 FHAARO Cc1ncc2c(c1-c1noc([C@@]3(c4cccs4)CC3(C)C)n1)CC[NH2+]C2 ZINC000020599242 211289096 /nfs/dbraw/zinc/28/90/96/211289096.db2.gz NEGXZNDFUVRBMJ-FQEVSTJZSA-N 1 0 366.490 3.863 50 0 FHAARO O[C@@H](C[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1)c1ccccc1 ZINC000020406001 211280008 /nfs/dbraw/zinc/28/00/08/211280008.db2.gz YOUBOQIJYGWXRG-KRWDZBQOSA-N 1 0 373.909 3.805 50 0 FHAARO OCC[C@H]1C[N@@H+](C2C3CC4CC(C3)CC2C4)CCN1Cc1ccccc1F ZINC000020256395 211273965 /nfs/dbraw/zinc/27/39/65/211273965.db2.gz SRNVUIJSEVIXHX-YPTCHGKGSA-N 1 0 372.528 3.519 50 0 FHAARO COC(=O)c1ccc2c(c1)[N+](C)=C(/C=C/c1ccc3c(c1)OCO3)C2(C)C ZINC000020070288 211266494 /nfs/dbraw/zinc/26/64/94/211266494.db2.gz QUDAQPAVBRUHAV-UXBLZVDNSA-N 1 0 364.421 3.921 50 0 FHAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3cc(OC)ccc3OC)c2c1 ZINC000019848512 211259925 /nfs/dbraw/zinc/25/99/25/211259925.db2.gz CJNAJEAZKILMNO-UHFFFAOYSA-N 1 0 354.450 3.834 50 0 FHAARO Cc1cc(CN2CC[NH+](Cc3cc(C)c(O)c(C)c3)CC2)cc(C)c1O ZINC000019857322 211258809 /nfs/dbraw/zinc/25/88/09/211258809.db2.gz KHOSGZKQMJLJQK-UHFFFAOYSA-N 1 0 354.494 3.649 50 0 FHAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3cccc(OC)c3OC)c2c1 ZINC000019798239 211257256 /nfs/dbraw/zinc/25/72/56/211257256.db2.gz XKHOBHJTSNBSCX-UHFFFAOYSA-N 1 0 354.450 3.834 50 0 FHAARO CC[C@@H](C)C(=O)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000019745332 211253823 /nfs/dbraw/zinc/25/38/23/211253823.db2.gz TWNPTKFYBPJEQQ-UTKZUKDTSA-N 1 0 352.478 3.785 50 0 FHAARO O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CCc2c([nH]c3ccccc32)C1 ZINC000019745793 211253969 /nfs/dbraw/zinc/25/39/69/211253969.db2.gz YRPQNEKLXBLFBN-INIZCTEOSA-N 1 0 351.475 3.852 50 0 FHAARO C[NH+]1CCN(Cc2c(NC(=O)c3ccccc3)sc3c2CCCC3)CC1 ZINC000019590053 211238350 /nfs/dbraw/zinc/23/83/50/211238350.db2.gz BAUJTGBMDAMFBQ-UHFFFAOYSA-N 1 0 369.534 3.627 50 0 FHAARO c1ccc2c(c1)cccc2C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019359457 211217623 /nfs/dbraw/zinc/21/76/23/211217623.db2.gz CLCGFLOOBFLQJQ-UHFFFAOYSA-N 1 0 360.457 3.886 50 0 FHAARO COc1ccc([N+]2=C3CCCCN3C[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000017146523 211180774 /nfs/dbraw/zinc/18/07/74/211180774.db2.gz WMFVEZIJXAELKF-HXUWFJFHSA-N 1 0 357.861 3.609 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000016753970 211168447 /nfs/dbraw/zinc/16/84/47/211168447.db2.gz UVLVEMLMPHAPMU-NRFANRHFSA-N 1 0 352.478 3.961 50 0 FHAARO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1OC ZINC000016606838 211163945 /nfs/dbraw/zinc/16/39/45/211163945.db2.gz OTXVPFHGCZKUNB-UHFFFAOYSA-N 1 0 372.440 3.694 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCC2)o1 ZINC000015860252 211147369 /nfs/dbraw/zinc/14/73/69/211147369.db2.gz OADIGQIDOCUZHY-IBGZPJMESA-N 1 0 356.466 3.537 50 0 FHAARO Cc1c(O)ccc2c(C[N@H+](C)CCOc3ccccc3Cl)cc(=O)oc12 ZINC000015103517 211121868 /nfs/dbraw/zinc/12/18/68/211121868.db2.gz COFFNIIFHARWBK-UHFFFAOYSA-N 1 0 373.836 3.971 50 0 FHAARO COc1ccc2cc(-c3n[nH]cc3C[N@H+](C)CCc3cn[nH]c3)ccc2c1 ZINC000015071117 211120233 /nfs/dbraw/zinc/12/02/33/211120233.db2.gz RUSPQNAYPPKFNK-UHFFFAOYSA-N 1 0 361.449 3.636 50 0 FHAARO Clc1ccccc1Cc1noc(CN2CCC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000014980231 211111978 /nfs/dbraw/zinc/11/19/78/211111978.db2.gz SLTGJMJVRHEVIW-INIZCTEOSA-N 1 0 374.916 3.622 50 0 FHAARO C[C@@H](CCc1ccccc1)[N@H+]1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000014968077 211109339 /nfs/dbraw/zinc/10/93/39/211109339.db2.gz VEMIUMWMOTUJBL-SFHVURJKSA-N 1 0 354.469 3.881 50 0 FHAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2ccsc2)cc1 ZINC000014970769 211108260 /nfs/dbraw/zinc/10/82/60/211108260.db2.gz CIQWGIBQYZPMIU-UHFFFAOYSA-N 1 0 372.534 3.783 50 0 FHAARO COc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)c(C)c1C ZINC000014966518 211108029 /nfs/dbraw/zinc/10/80/29/211108029.db2.gz QKNYKAAXPUQIFE-UHFFFAOYSA-N 1 0 362.477 3.629 50 0 FHAARO O=C1CC[C@H](CC[NH2+]CCOc2ccccc2)N1Cc1cccc(F)c1F ZINC000014960025 211106975 /nfs/dbraw/zinc/10/69/75/211106975.db2.gz OSENHFWOLBHIPG-QGZVFWFLSA-N 1 0 374.431 3.515 50 0 FHAARO CCc1ccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1 ZINC000014954566 211106753 /nfs/dbraw/zinc/10/67/53/211106753.db2.gz OJMQHXJNYKWCJO-UHFFFAOYSA-N 1 0 360.505 3.684 50 0 FHAARO O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000014246676 211088184 /nfs/dbraw/zinc/08/81/84/211088184.db2.gz SKJWULBECSSGBO-MRXNPFEDSA-N 1 0 364.898 3.734 50 0 FHAARO CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000014197242 211083053 /nfs/dbraw/zinc/08/30/53/211083053.db2.gz LQPBSDTZOIEHER-UHFFFAOYSA-N 1 0 361.486 3.639 50 0 FHAARO Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000014168981 211080093 /nfs/dbraw/zinc/08/00/93/211080093.db2.gz SAZQPLIJVOAASB-UHFFFAOYSA-N 1 0 366.490 3.505 50 0 FHAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1[C@H]3CCc4ccccc4C3=NN12 ZINC000013810147 211060247 /nfs/dbraw/zinc/06/02/47/211060247.db2.gz COBOEWUKKRMQNZ-UGKGYDQZSA-N 1 0 359.473 3.824 50 0 FHAARO Cc1ccc(COc2ccc(C[NH2+]CCCN3CCCC3=O)cc2)cc1 ZINC000013727943 211053319 /nfs/dbraw/zinc/05/33/19/211053319.db2.gz PVPJSLNASLDYFX-UHFFFAOYSA-N 1 0 352.478 3.676 50 0 FHAARO CCOc1c(C[NH2+]CCCOC(C)C)cc(Br)cc1OC ZINC000013722102 211052690 /nfs/dbraw/zinc/05/26/90/211052690.db2.gz SDOOAPHBBIDZCV-UHFFFAOYSA-N 1 0 360.292 3.761 50 0 FHAARO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717722 211051333 /nfs/dbraw/zinc/05/13/33/211051333.db2.gz QVEWZGYKZJPEJJ-HNNXBMFYSA-N 1 0 367.453 3.741 50 0 FHAARO Cc1ccc(Cl)c(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000013012506 211020494 /nfs/dbraw/zinc/02/04/94/211020494.db2.gz GVQXOJZYXJOGBQ-UHFFFAOYSA-N 1 0 372.896 3.808 50 0 FHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000013003986 211019235 /nfs/dbraw/zinc/01/92/35/211019235.db2.gz YWZMSBJISUUFLK-IBGZPJMESA-N 1 0 355.434 3.828 50 0 FHAARO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CCCC[C@@H]2C)cs1 ZINC000012999106 211016478 /nfs/dbraw/zinc/01/64/78/211016478.db2.gz HGQXXZLZNMWDQB-AWEZNQCLSA-N 1 0 355.507 3.882 50 0 FHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000012986326 211015540 /nfs/dbraw/zinc/01/55/40/211015540.db2.gz PTGSNAQEPSEDNK-IBGZPJMESA-N 1 0 355.434 3.828 50 0 FHAARO CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000012858590 211000565 /nfs/dbraw/zinc/00/05/65/211000565.db2.gz MQJSDMUGXYWOGF-MSOLQXFVSA-N 1 0 373.541 3.743 50 0 FHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CCSC ZINC000012298744 210938183 /nfs/dbraw/zinc/93/81/83/210938183.db2.gz OYRICBFUFOMRFT-SFHVURJKSA-N 1 0 366.546 3.682 50 0 FHAARO C[NH+](C)CCCN(C(=O)Cc1ccccc1)c1nc2ccc(F)cc2s1 ZINC000004359626 210527538 /nfs/dbraw/zinc/52/75/38/210527538.db2.gz VAWKIBYPFFDVNU-UHFFFAOYSA-N 1 0 371.481 3.963 50 0 FHAARO Cc1nn2c(nc3c(c2NCCC[NH+](C)C)CCCC3)c1-c1ccccc1 ZINC000002438852 210399434 /nfs/dbraw/zinc/39/94/34/210399434.db2.gz JBGHJXWBNDFTSA-UHFFFAOYSA-N 1 0 363.509 3.947 50 0 FHAARO O[C@H](C[NH2+]CCOc1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000002170537 210382018 /nfs/dbraw/zinc/38/20/18/210382018.db2.gz ZUAFHLPWFBLNOI-GOSISDBHSA-N 1 0 360.457 3.824 50 0 FHAARO COc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1Br ZINC000020064289 220310037 /nfs/dbraw/zinc/31/00/37/220310037.db2.gz BUTCCEBMHNVELS-UHFFFAOYSA-N 1 0 367.331 3.908 50 0 FHAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc(O)c3)=NN12 ZINC000010214136 210343352 /nfs/dbraw/zinc/34/33/52/210343352.db2.gz KZBDEBINOOCCMS-HXUWFJFHSA-N 1 0 363.461 3.748 50 0 FHAARO CCOC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000001035989 210304943 /nfs/dbraw/zinc/30/49/43/210304943.db2.gz NMMFZLTWQXIBLB-UHFFFAOYSA-N 1 0 372.490 3.776 50 0 FHAARO CCOc1cc(CNc2[nH+]cc(-c3ccc(OC)cc3)n2C)ccc1O ZINC000000819115 210276263 /nfs/dbraw/zinc/27/62/63/210276263.db2.gz TTWNUGWWNNWXMS-UHFFFAOYSA-N 1 0 353.422 3.812 50 0 FHAARO COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C)CC2)cc1 ZINC000000810597 210274480 /nfs/dbraw/zinc/27/44/80/210274480.db2.gz LNHDAMUXKOTLNI-FQEVSTJZSA-N 1 0 363.461 3.661 50 0 FHAARO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000022095758 220376881 /nfs/dbraw/zinc/37/68/81/220376881.db2.gz NGJDQZWKXVCYAB-MJGOQNOKSA-N 1 0 355.482 3.732 50 0 FHAARO C[N@H+](CCCc1ccccc1)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000052802626 221040659 /nfs/dbraw/zinc/04/06/59/221040659.db2.gz FCBTZOWUEIDWEY-UHFFFAOYSA-N 1 0 351.494 3.790 50 0 FHAARO C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(N4CCCCCC4)nc3)no2)C1 ZINC000065216216 221181637 /nfs/dbraw/zinc/18/16/37/221181637.db2.gz COCHOSBYVQBZDA-INIZCTEOSA-N 1 0 355.486 3.744 50 0 FHAARO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nncn3Cc3ccccc3)C2)cc1 ZINC000065287796 221195603 /nfs/dbraw/zinc/19/56/03/221195603.db2.gz VHKWGRJPFZYVEO-LJQANCHMSA-N 1 0 350.441 3.845 50 0 FHAARO C[NH+]1CCC(Oc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000065365273 221203302 /nfs/dbraw/zinc/20/33/02/221203302.db2.gz CCAUKKZBAZPPCZ-UHFFFAOYSA-N 1 0 358.869 3.994 50 0 FHAARO c1nn2cccnc2c1-c1c(-c2ccccc2)ncn1CC[NH+]1CCCCC1 ZINC000065385221 221208346 /nfs/dbraw/zinc/20/83/46/221208346.db2.gz ZIJRNQUEFBMGDU-UHFFFAOYSA-N 1 0 372.476 3.746 50 0 FHAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccccn1)Nc1nc2ccccc2s1 ZINC000065384733 221208606 /nfs/dbraw/zinc/20/86/06/221208606.db2.gz WDIVXVZTUPZPFW-INIZCTEOSA-N 1 0 352.463 3.857 50 0 FHAARO CCc1nc(Cn2cnc(-c3ccccc3)c2[C@H]2CCC[N@@H+](CC)C2)no1 ZINC000065387946 221209851 /nfs/dbraw/zinc/20/98/51/221209851.db2.gz BKGYQMONHAIVHI-KRWDZBQOSA-N 1 0 365.481 3.743 50 0 FHAARO c1nc2cc(-c3noc(-c4cccnc4)n3)ccc2n1CC[NH+]1CCCCC1 ZINC000065255056 221188603 /nfs/dbraw/zinc/18/86/03/221188603.db2.gz ZJIBWNXFHRRWHZ-UHFFFAOYSA-N 1 0 374.448 3.634 50 0 FHAARO CCc1cccc(NC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)c1 ZINC000065255099 221188775 /nfs/dbraw/zinc/18/87/75/221188775.db2.gz RVXWSNFBUZYOED-UHFFFAOYSA-N 1 0 362.477 3.947 50 0 FHAARO Cc1cc2cc(NC(=O)c3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)ccc2o1 ZINC000065406048 221214001 /nfs/dbraw/zinc/21/40/01/221214001.db2.gz XAGKHPNOHXQWIK-IBGZPJMESA-N 1 0 350.418 3.560 50 0 FHAARO CCc1ccc2oc(=O)cc(C[NH2+]Cc3ccc4c(c3)OCCCO4)c2c1 ZINC000065489942 221223750 /nfs/dbraw/zinc/22/37/50/221223750.db2.gz FHBCWCFUQNGWIK-UHFFFAOYSA-N 1 0 365.429 3.807 50 0 FHAARO COc1ccc2[nH]cc(C3CC[NH+](C[C@@H](O)COC(C)(C)C)CC3)c2c1 ZINC000065575421 221234245 /nfs/dbraw/zinc/23/42/45/221234245.db2.gz RRMYTTJDIVDDHU-MRXNPFEDSA-N 1 0 360.498 3.532 50 0 FHAARO CC(C)(C)OC(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000066324410 221244262 /nfs/dbraw/zinc/24/42/62/221244262.db2.gz RSKGYBOMPHCYHD-GOSISDBHSA-N 1 0 360.498 3.725 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@](C)(CO)C3)c(C)o2)c(OC)c1C ZINC000067489960 221257690 /nfs/dbraw/zinc/25/76/90/221257690.db2.gz RBAAXKTVEXXYRL-OAQYLSRUSA-N 1 0 374.481 3.570 50 0 FHAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+](C)CC1(CO)CCOCC1 ZINC000067726876 221277621 /nfs/dbraw/zinc/27/76/21/221277621.db2.gz RSPFPKOEFUHPML-UHFFFAOYSA-N 1 0 364.873 3.524 50 0 FHAARO Cn1ccnc1-c1ccc(Oc2ccc(C[NH+]3CCCC3)cc2Cl)nn1 ZINC000067773154 221283931 /nfs/dbraw/zinc/28/39/31/221283931.db2.gz CLTQPVGMWMTWGH-UHFFFAOYSA-N 1 0 369.856 3.919 50 0 FHAARO [NH3+]C[C@@H]1Cc2cc(-c3ccccc3OCCn3ccnc3)cc(Cl)c2O1 ZINC000067872911 221299739 /nfs/dbraw/zinc/29/97/39/221299739.db2.gz ASUQQQYMFIJMEZ-INIZCTEOSA-N 1 0 369.852 3.545 50 0 FHAARO CS[C@H](C)CC[N@@H+]1CCOc2c(O)cc(-c3nc(C)cnc3C)cc2C1 ZINC000067895467 221302135 /nfs/dbraw/zinc/30/21/35/221302135.db2.gz KVGQGHQFDGPKCT-CQSZACIVSA-N 1 0 373.522 3.802 50 0 FHAARO O=C(c1ccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)o1)N1CCCC1 ZINC000067909160 221304406 /nfs/dbraw/zinc/30/44/06/221304406.db2.gz PUTOFIXNXHDQGF-SFHVURJKSA-N 1 0 368.477 3.963 50 0 FHAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C[C@@H]1CCC[NH2+]C1)CCO2 ZINC000067935019 221306358 /nfs/dbraw/zinc/30/63/58/221306358.db2.gz DHHAPQORICPUNE-QGZVFWFLSA-N 1 0 352.478 3.562 50 0 FHAARO Fc1ccc(-c2n[nH]c3c2C[N@H+](CCCc2cccnc2)CC3)cc1F ZINC000067975690 221312359 /nfs/dbraw/zinc/31/23/59/221312359.db2.gz HCLTYCGTPKBNQB-UHFFFAOYSA-N 1 0 354.404 3.741 50 0 FHAARO CC(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000069090841 221321796 /nfs/dbraw/zinc/32/17/96/221321796.db2.gz IPMPHYOUQYBLJZ-NRFANRHFSA-N 1 0 372.534 3.925 50 0 FHAARO Cc1ccc(-c2cc(C(=O)N3CCC[N@H+](CC4CC4)[C@H](C(C)C)C3)[nH]n2)o1 ZINC000071416040 221346678 /nfs/dbraw/zinc/34/66/78/221346678.db2.gz FCMUJBUZASOUDD-IBGZPJMESA-N 1 0 370.497 3.561 50 0 FHAARO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c(C)o1 ZINC000071404133 221346856 /nfs/dbraw/zinc/34/68/56/221346856.db2.gz SSTBLVBZZHEZFM-IBGZPJMESA-N 1 0 373.472 3.803 50 0 FHAARO O=C(C1CC1)N1CCC([N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071736301 221356889 /nfs/dbraw/zinc/35/68/89/221356889.db2.gz CFYTYTSLRMGEEW-GOSISDBHSA-N 1 0 358.501 3.871 50 0 FHAARO CC[C@@H]1C[N@H+](Cc2ccc(O)c(C)c2)CCC(=O)N1Cc1ccccc1 ZINC000071738789 221358127 /nfs/dbraw/zinc/35/81/27/221358127.db2.gz RMGJXBFUWQAHJH-HXUWFJFHSA-N 1 0 352.478 3.714 50 0 FHAARO CCc1nn(C)c(Cl)c1CN1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071751653 221361970 /nfs/dbraw/zinc/36/19/70/221361970.db2.gz LEEAWFXMCUXCMK-SFHVURJKSA-N 1 0 352.954 3.578 50 0 FHAARO COc1c(F)ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c1F ZINC000071750674 221362703 /nfs/dbraw/zinc/36/27/03/221362703.db2.gz VBTDWCKHJUAPEB-KRWDZBQOSA-N 1 0 366.452 3.556 50 0 FHAARO CC(C)[C@H]1C[N@H+](Cc2ccc(O)cc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071759739 221366061 /nfs/dbraw/zinc/36/60/61/221366061.db2.gz WQKXFJIJQJCJKM-OAQYLSRUSA-N 1 0 370.468 3.790 50 0 FHAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](CCc4cn[nH]c4)C3)ccc2c1 ZINC000071639262 221354422 /nfs/dbraw/zinc/35/44/22/221354422.db2.gz LBUDLSPOYQDAGG-FQEVSTJZSA-N 1 0 363.461 3.709 50 0 FHAARO Cc1c[nH]c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1 ZINC000071715313 221354908 /nfs/dbraw/zinc/35/49/08/221354908.db2.gz UJHGLWGYEBYOQF-HXUWFJFHSA-N 1 0 357.473 3.835 50 0 FHAARO C[C@@H](C1CCN(C(=O)c2cnc(-c3cccs3)nc2)CC1)[NH+]1CCCC1 ZINC000072433003 221525011 /nfs/dbraw/zinc/52/50/11/221525011.db2.gz QNKQXEGYAKWSFZ-HNNXBMFYSA-N 1 0 370.522 3.542 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(c3cc(C)ncn3)CC2)C1 ZINC000092078081 132206146 /nfs/dbraw/zinc/20/61/46/132206146.db2.gz BMGIBFMPTBNGRV-HXUWFJFHSA-N 1 0 350.510 3.881 50 0 FHAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000095352960 132206819 /nfs/dbraw/zinc/20/68/19/132206819.db2.gz GXIHQKXRILFWJN-QGZVFWFLSA-N 1 0 352.482 3.579 50 0 FHAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000095354234 132207261 /nfs/dbraw/zinc/20/72/61/132207261.db2.gz SVWHILPIIJXKDC-IBGZPJMESA-N 1 0 363.509 3.767 50 0 FHAARO FC(F)(F)c1ccc(N2CCC([NH+]3CC(c4ccccn4)C3)CC2)nc1 ZINC000095366072 132208469 /nfs/dbraw/zinc/20/84/69/132208469.db2.gz IXCZMJYCBXYXAR-UHFFFAOYSA-N 1 0 362.399 3.564 50 0 FHAARO C[C@@H]1C[N@H+](C2CCN(c3ccc4cccc(Cl)c4n3)CC2)C[C@H](C)O1 ZINC000095381320 132209368 /nfs/dbraw/zinc/20/93/68/132209368.db2.gz BLZINJXPEYILKO-GASCZTMLSA-N 1 0 359.901 3.966 50 0 FHAARO CCc1cc(N2CCC([NH2+]CCc3cccc(Cl)c3)CC2)nc(C)n1 ZINC000095509750 132213252 /nfs/dbraw/zinc/21/32/52/132213252.db2.gz VZEKMGYDXMXJPT-UHFFFAOYSA-N 1 0 358.917 3.802 50 0 FHAARO Cc1cc2c(ncnc2N2CCC([N@H+](C)CCC[C@@H]3CCCO3)CC2)s1 ZINC000095517455 132213588 /nfs/dbraw/zinc/21/35/88/132213588.db2.gz RUZBDHLGCVCATF-QGZVFWFLSA-N 1 0 374.554 3.860 50 0 FHAARO Cc1nc2sccc2c(N2CCC([NH2+]CCCc3ccco3)CC2)n1 ZINC000096139676 132220161 /nfs/dbraw/zinc/22/01/61/132220161.db2.gz GGSSFFROLMKFLT-UHFFFAOYSA-N 1 0 356.495 3.784 50 0 FHAARO O=C(NC[C@@H]1CCCN(c2cc[nH+]cc2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000096148819 132220522 /nfs/dbraw/zinc/22/05/22/132220522.db2.gz OGGZVQLLHIDYDG-INIZCTEOSA-N 1 0 369.896 3.799 50 0 FHAARO C[C@H](c1ccc(-c2nccc(N3CCC(O)CC3)n2)cc1)[NH+]1CCCCC1 ZINC000097681876 132230373 /nfs/dbraw/zinc/23/03/73/132230373.db2.gz HKTYLUQITYWVCL-QGZVFWFLSA-N 1 0 366.509 3.652 50 0 FHAARO OCC[C@H]1CN(c2ccnc3ccc(Cl)cc32)CC[N@@H+]1C1CCCC1 ZINC000107012066 132240636 /nfs/dbraw/zinc/24/06/36/132240636.db2.gz XRGFHCPHVDLLQF-KRWDZBQOSA-N 1 0 359.901 3.704 50 0 FHAARO Cc1cc(NC(=O)Cc2ccccc2Cl)cc(N2CC[NH+](C)CC2)c1 ZINC000241316776 132289721 /nfs/dbraw/zinc/28/97/21/132289721.db2.gz LUVHLEAQPJGWSR-UHFFFAOYSA-N 1 0 357.885 3.581 50 0 FHAARO O=C(C[NH2+]CCc1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000002645159 132383779 /nfs/dbraw/zinc/38/37/79/132383779.db2.gz OLIXUOQRBQPNTK-UHFFFAOYSA-N 1 0 355.457 3.587 50 0 FHAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCN(c2ccc(-n3cccn3)cc2)CC1 ZINC000048112445 136122966 /nfs/dbraw/zinc/12/29/66/136122966.db2.gz QQNXVOQTKOEFAG-SFHVURJKSA-N 1 0 370.541 3.760 50 0 FHAARO O=C(CCSc1ccccc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928589 136138547 /nfs/dbraw/zinc/13/85/47/136138547.db2.gz XBZPRDXWHABKSZ-UHFFFAOYSA-N 1 0 355.507 3.597 50 0 FHAARO CNc1nc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc(C)[nH+]1 ZINC000071422210 136139214 /nfs/dbraw/zinc/13/92/14/136139214.db2.gz HKKJESFEMHNGPH-AWEZNQCLSA-N 1 0 353.253 3.711 50 0 FHAARO CN1C[C@H]([NH2+]C2CCN(c3cccc(-c4ccccc4)c3)CC2)CCC1=O ZINC000023380064 136152677 /nfs/dbraw/zinc/15/26/77/136152677.db2.gz GJVBOSPZLJKCOJ-OAQYLSRUSA-N 1 0 363.505 3.533 50 0 FHAARO c1cnn(-c2cccc(N3CCC([NH2+][C@H]4CCc5ccccc5C4)CC3)c2)c1 ZINC000023505635 136152932 /nfs/dbraw/zinc/15/29/32/136152932.db2.gz HNJOVAKSXYZVGD-QFIPXVFZSA-N 1 0 372.516 3.988 50 0 FHAARO C[C@H](C1CCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)CC1)[NH+](C)C ZINC000077319519 221604367 /nfs/dbraw/zinc/60/43/67/221604367.db2.gz ANLPDEXEHPOBHQ-MRXNPFEDSA-N 1 0 352.478 3.862 50 0 FHAARO C[C@@H]([NH2+]CC1(c2ccccc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000079015266 221685005 /nfs/dbraw/zinc/68/50/05/221685005.db2.gz LBNOIYPUMFXBDE-KNQAVFIVSA-N 1 0 350.506 3.770 50 0 FHAARO c1coc(-c2ccccc2-c2cn([C@H]3COC[C@@H]3[NH+]3CCCCC3)nn2)c1 ZINC000092061631 221832313 /nfs/dbraw/zinc/83/23/13/221832313.db2.gz QOGUKSQVEZZCCM-PMACEKPBSA-N 1 0 364.449 3.631 50 0 FHAARO CSCC[NH+]1CCC(NC(=O)c2cccc(-c3ccc(O)cc3)c2)CC1 ZINC000096133211 222038720 /nfs/dbraw/zinc/03/87/20/222038720.db2.gz ZCYFEQVSNISJFI-UHFFFAOYSA-N 1 0 370.518 3.616 50 0 FHAARO Cc1cc(N2CCCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)cc[nH+]1 ZINC000096133332 222040061 /nfs/dbraw/zinc/04/00/61/222040061.db2.gz DDHAKELOQFODGS-UHFFFAOYSA-N 1 0 350.466 3.623 50 0 FHAARO Fc1ccc(-n2nc(-c3ccco3)nc2[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000096148391 222049965 /nfs/dbraw/zinc/04/99/65/222049965.db2.gz YQGHKPIPBKYPSS-ZDUSSCGKSA-N 1 0 356.376 3.663 50 0 FHAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000097001844 222149331 /nfs/dbraw/zinc/14/93/31/222149331.db2.gz RDPZPDFHTOGHTK-QGZVFWFLSA-N 1 0 373.476 3.624 50 0 FHAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000097001846 222149677 /nfs/dbraw/zinc/14/96/77/222149677.db2.gz RDPZPDFHTOGHTK-KRWDZBQOSA-N 1 0 373.476 3.624 50 0 FHAARO CCS[C@@H]1CC[C@]1(O)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000097017204 222150910 /nfs/dbraw/zinc/15/09/10/222150910.db2.gz NPWMIPFEYQTNMD-OAGGEKHMSA-N 1 0 374.319 3.812 50 0 FHAARO COCC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccc(-c3ccc(C)o3)cc2)C1 ZINC000097137085 222163319 /nfs/dbraw/zinc/16/33/19/222163319.db2.gz FGNVHTYZMLCCDK-GOSISDBHSA-N 1 0 370.493 3.685 50 0 FHAARO Cc1cc(C(=O)N2CC[NH+](C(C)C)CC2)c(C)n1[C@H](C)c1ccccc1 ZINC000097288146 222172976 /nfs/dbraw/zinc/17/29/76/222172976.db2.gz HDLYOOHNYGCTGI-GOSISDBHSA-N 1 0 353.510 3.880 50 0 FHAARO CCn1ncc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)c1C ZINC000097288855 222173665 /nfs/dbraw/zinc/17/36/65/222173665.db2.gz RIYJUQWHRKMDSI-OAQYLSRUSA-N 1 0 368.525 3.723 50 0 FHAARO C[NH+]1CCN(Cc2ccc(-c3cc(F)cc(C(F)(F)F)c3)nc2)CC1 ZINC000097698961 222207406 /nfs/dbraw/zinc/20/74/06/222207406.db2.gz ZDHUOXOLTWNZFK-UHFFFAOYSA-N 1 0 353.363 3.654 50 0 FHAARO Cc1ccc(N2C(=O)C[C@@H](NCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000100716505 222250124 /nfs/dbraw/zinc/25/01/24/222250124.db2.gz WPPYEUJWNOCVOP-MRXNPFEDSA-N 1 0 363.244 3.724 50 0 FHAARO COc1cccc(C[N@@H+]2CCC[C@@H](O)CC2)c1OCc1cccc(F)c1 ZINC000097551243 222191616 /nfs/dbraw/zinc/19/16/16/222191616.db2.gz YCZDBNUVEXMQNW-LJQANCHMSA-N 1 0 359.441 3.760 50 0 FHAARO Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc3n(n2)CCC[NH2+]C3)ccc1F ZINC000102225654 222292606 /nfs/dbraw/zinc/29/26/06/222292606.db2.gz IIQGOLWYYDGGRX-FNLKRUPLSA-N 1 0 368.500 3.735 50 0 FHAARO Cc1ccccc1C[N@H+]1CCN(Cc2nc(C(C)C)cs2)C[C@H]1CCO ZINC000104312951 222356434 /nfs/dbraw/zinc/35/64/34/222356434.db2.gz HLJNGAVWBRZPHZ-LJQANCHMSA-N 1 0 373.566 3.644 50 0 FHAARO CC(C)(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019781750 263376798 /nfs/dbraw/zinc/37/67/98/263376798.db2.gz PGIUSTBMMXLCJZ-HXUWFJFHSA-N 1 0 368.521 3.546 50 0 FHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)CC1 ZINC000020154029 263379201 /nfs/dbraw/zinc/37/92/01/263379201.db2.gz ZCZIBDLUUZKLAO-UHFFFAOYSA-N 1 0 374.435 3.746 50 0 FHAARO Cc1ccc(OCC[NH3+])c(C(=O)NCc2ccc(-c3ccccc3)o2)c1 ZINC000426491095 263605695 /nfs/dbraw/zinc/60/56/95/263605695.db2.gz VSYAVQUEVKHCOS-UHFFFAOYSA-N 1 0 350.418 3.523 50 0 FHAARO C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000426727413 263665840 /nfs/dbraw/zinc/66/58/40/263665840.db2.gz JKTRVQQKYIBVPY-MRXNPFEDSA-N 1 0 369.513 3.511 50 0 FHAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000019853918 518371799 /nfs/dbraw/zinc/37/17/99/518371799.db2.gz QAMVWSTVXMMZHU-IWXKUNQBSA-N 1 0 361.533 3.986 50 0 FHAARO CC(C)c1cc(Br)ccc1OCCCC[NH+]1CCN(C)CC1 ZINC000020653553 519831107 /nfs/dbraw/zinc/83/11/07/519831107.db2.gz VOJIHTWYXUHONC-UHFFFAOYSA-N 1 0 369.347 3.979 50 0 FHAARO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3cc(=O)c4cccc(F)c4[nH]3)C2)n1 ZINC000091304736 519909358 /nfs/dbraw/zinc/90/93/58/519909358.db2.gz IMYMASDLCHCTQI-CYBMUJFWSA-N 1 0 370.428 3.966 50 0 FHAARO CCCOc1c(C[NH2+]C[C@H]2CCCO2)cc(Br)cc1OC ZINC000020934160 520292091 /nfs/dbraw/zinc/29/20/91/520292091.db2.gz LPOUPGUHRKGKAV-CQSZACIVSA-N 1 0 358.276 3.515 50 0 FHAARO CC[NH+](CC)CCn1c2ccccc2n(CCOc2cccc(C)c2)c1=N ZINC000020069478 520714666 /nfs/dbraw/zinc/71/46/66/520714666.db2.gz SOXMEMQOMZSBGL-UHFFFAOYSA-N 1 0 366.509 3.651 50 0 FHAARO CCCCc1ncc(C[N@@H+]2CCC[C@H](NC(=O)Nc3ccccc3)CC2)[nH]1 ZINC000082096950 521293184 /nfs/dbraw/zinc/29/31/84/521293184.db2.gz LRIHZGZGFURAAX-SFHVURJKSA-N 1 0 369.513 3.929 50 0 FHAARO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000088230248 521753155 /nfs/dbraw/zinc/75/31/55/521753155.db2.gz ZHQDDKYYYBJXTJ-UHFFFAOYSA-N 1 0 369.490 3.531 50 0 FHAARO COCCn1ccnc1[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000091625389 522138817 /nfs/dbraw/zinc/13/88/17/522138817.db2.gz ZGJVWZFPDDPODT-AWEZNQCLSA-N 1 0 351.853 3.702 50 0 FHAARO C[N@H+](CC[C@H]1CCCCO1)Cc1c(-c2ccccc2)nc2ncccn12 ZINC000216363204 522936862 /nfs/dbraw/zinc/93/68/62/522936862.db2.gz RXGHGUPIAIIAAY-GOSISDBHSA-N 1 0 350.466 3.787 50 0 FHAARO CCn1cc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)c2ccccc21 ZINC000020905802 523372363 /nfs/dbraw/zinc/37/23/63/523372363.db2.gz IBTADKFGONQBMP-FQEVSTJZSA-N 1 0 357.542 3.576 50 0 FHAARO CCn1nc(C)c(C[NH2+][C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1C ZINC000020775119 523644832 /nfs/dbraw/zinc/64/48/32/523644832.db2.gz NBUWZNXMVPDNQR-IBGZPJMESA-N 1 0 360.933 3.927 50 0 FHAARO CCc1cc(C[N@@H+]2CCC[C@H](c3nccn3Cc3ccccc3)C2)on1 ZINC000082116290 523787713 /nfs/dbraw/zinc/78/77/13/523787713.db2.gz YGKIVVPQMYQTAI-SFHVURJKSA-N 1 0 350.466 3.861 50 0 FHAARO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000078710435 524047149 /nfs/dbraw/zinc/04/71/49/524047149.db2.gz VYWGZSQKNOBEOT-HOTGVXAUSA-N 1 0 360.523 3.911 50 0 FHAARO COc1cccc([C@@H](CNC(=O)C2=Cc3ccccc3[C@H]2C)[NH+](C)C)c1 ZINC000390832774 524094201 /nfs/dbraw/zinc/09/42/01/524094201.db2.gz MPZIFZMLIDFZCQ-QVKFZJNVSA-N 1 0 350.462 3.615 50 0 FHAARO COc1cccc([C@@H](CNC(=O)C2=Cc3ccccc3[C@@H]2C)[NH+](C)C)c1 ZINC000390832775 524095623 /nfs/dbraw/zinc/09/56/23/524095623.db2.gz MPZIFZMLIDFZCQ-YCRPNKLZSA-N 1 0 350.462 3.615 50 0 FHAARO COc1ccnc(C[N@@H+]2CCC[C@@H](c3nccn3Cc3ccccc3)C2)c1 ZINC000082108996 524830727 /nfs/dbraw/zinc/83/07/27/524830727.db2.gz CTTAXGPQFJKIPP-LJQANCHMSA-N 1 0 362.477 3.715 50 0 FHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000269269213 525020761 /nfs/dbraw/zinc/02/07/61/525020761.db2.gz LSPTWFMDMKSNGP-OLZOCXBDSA-N 1 0 359.297 3.738 50 0 FHAARO Cc1ccc(-c2cc(C(F)(F)F)nc(N3CC[N@@H+]4CCC[C@H]4C3)n2)s1 ZINC000247833991 525732505 /nfs/dbraw/zinc/73/25/05/525732505.db2.gz MSBXETBNBKJQAR-LBPRGKRZSA-N 1 0 368.428 3.817 50 0 FHAARO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)cn1 ZINC000091586734 526142428 /nfs/dbraw/zinc/14/24/28/526142428.db2.gz RMTPYWVIBGZFCF-RBBKRZOGSA-N 1 0 363.505 3.559 50 0 FHAARO O=C(C1CCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000091708107 526294407 /nfs/dbraw/zinc/29/44/07/526294407.db2.gz NBOFMQHEGMGLGL-NVXWUHKLSA-N 1 0 364.436 3.511 50 0 FHAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]Cc2cccn2-c2ccccn2)C1 ZINC000020255656 526410734 /nfs/dbraw/zinc/41/07/34/526410734.db2.gz JNHVCBQVMKMPEB-LJQANCHMSA-N 1 0 364.468 3.766 50 0 FHAARO Cc1noc(-c2ccnc(-c3cccc(-c4ccn(CC[NH+](C)C)n4)c3)c2)n1 ZINC000019841088 526457291 /nfs/dbraw/zinc/45/72/91/526457291.db2.gz YAFAQUZZPZWCMG-UHFFFAOYSA-N 1 0 374.448 3.532 50 0 FHAARO O=C(CCCc1ccccc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091603112 526459212 /nfs/dbraw/zinc/45/92/12/526459212.db2.gz KRTSLCFZEXNZBX-FCHUYYIVSA-N 1 0 363.505 3.527 50 0 FHAARO c1ccc(COCC[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cc1 ZINC000091655938 526473349 /nfs/dbraw/zinc/47/33/49/526473349.db2.gz HETSDEJOUUPCGC-XZOQPEGZSA-N 1 0 350.506 3.800 50 0 FHAARO c1ccc(Cc2noc(CN3CCC[C@H](C[NH+]4CCCCCC4)C3)n2)cc1 ZINC000084541524 526477703 /nfs/dbraw/zinc/47/77/03/526477703.db2.gz SORIIDNEVXWSKS-HXUWFJFHSA-N 1 0 368.525 3.748 50 0 FHAARO Cn1cc(C[NH2+]C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)cn1 ZINC000020599877 527214303 /nfs/dbraw/zinc/21/43/03/527214303.db2.gz BPPJKYBTXOGUJG-UHFFFAOYSA-N 1 0 364.468 3.985 50 0 FHAARO OCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876417 527555524 /nfs/dbraw/zinc/55/55/24/527555524.db2.gz ROBRLNQPZFOUEE-UHFFFAOYSA-N 1 0 370.674 3.763 50 0 FHAARO OCC[C@@H]1CN(Cc2cc3ccccc3o2)CC[N@@H+]1CCc1ccccc1 ZINC000020450738 527567341 /nfs/dbraw/zinc/56/73/41/527567341.db2.gz JDXMEOBEXRJLQA-OAQYLSRUSA-N 1 0 364.489 3.544 50 0 FHAARO OCC[C@H]1CN(Cc2cc3ccccc3o2)CC[N@@H+]1CCc1ccccc1 ZINC000020450740 527573645 /nfs/dbraw/zinc/57/36/45/527573645.db2.gz JDXMEOBEXRJLQA-NRFANRHFSA-N 1 0 364.489 3.544 50 0 FHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 ZINC000019795250 527692326 /nfs/dbraw/zinc/69/23/26/527692326.db2.gz ZQIHGGYDCYNSTJ-CQSZACIVSA-N 1 0 371.435 3.776 50 0 FHAARO CC(C)c1ccc(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000045058736 535370871 /nfs/dbraw/zinc/37/08/71/535370871.db2.gz FIBPUUOXBHTWAW-UHFFFAOYSA-N 1 0 366.509 3.528 50 0 FHAARO CCn1cc(C[N@@H+]2CCCC23CCN(c2cccc(C)n2)CC3)c(C)n1 ZINC000072422071 536052969 /nfs/dbraw/zinc/05/29/69/536052969.db2.gz FFQJDEVWOVGFJT-UHFFFAOYSA-N 1 0 353.514 3.550 50 0 FHAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000004757941 536424645 /nfs/dbraw/zinc/42/46/45/536424645.db2.gz PRRCXWMXHSOFCE-UHFFFAOYSA-N 1 0 351.494 3.988 50 0 FHAARO c1ccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CCC5)CC2)nc1 ZINC000301066229 567986472 /nfs/dbraw/zinc/98/64/72/567986472.db2.gz CPQDRWAOIHHEEZ-UHFFFAOYSA-N 1 0 365.506 3.652 50 0 FHAARO CN(Cc1cnc(SCc2ccccc2)nc1)C[C@@]1(C)CC[N@H+](C)C1 ZINC000215025583 568042960 /nfs/dbraw/zinc/04/29/60/568042960.db2.gz MNMXPAVBHXIYPT-FQEVSTJZSA-N 1 0 356.539 3.543 50 0 FHAARO O[C@H](Cc1ccccc1)C1CC[NH+](Cc2cnc(N3CCCC3)s2)CC1 ZINC000215111513 568052388 /nfs/dbraw/zinc/05/23/88/568052388.db2.gz IWYJPJIVFLMZIV-HXUWFJFHSA-N 1 0 371.550 3.559 50 0 FHAARO C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000215150927 568054578 /nfs/dbraw/zinc/05/45/78/568054578.db2.gz OKQIMIKYEJQUTB-JOCHJYFZSA-N 1 0 363.549 3.813 50 0 FHAARO COc1cccc(COc2ccccc2CN2CCC[N@H+](C)C[C@@H]2C)c1 ZINC000215171870 568055705 /nfs/dbraw/zinc/05/57/05/568055705.db2.gz LFYPPDGDRIBHDV-SFHVURJKSA-N 1 0 354.494 3.800 50 0 FHAARO Clc1ccccc1[C@@H]1CC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000215392087 568067812 /nfs/dbraw/zinc/06/78/12/568067812.db2.gz JWJXXEWOBPJXOA-CQSZACIVSA-N 1 0 363.914 3.623 50 0 FHAARO Cc1noc(CC2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)n1 ZINC000215860930 568092975 /nfs/dbraw/zinc/09/29/75/568092975.db2.gz QSVBNGZQCFQUCM-UHFFFAOYSA-N 1 0 354.479 3.956 50 0 FHAARO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC000216067758 568103626 /nfs/dbraw/zinc/10/36/26/568103626.db2.gz GUQBIINTTJIEJX-HNNXBMFYSA-N 1 0 351.454 3.824 50 0 FHAARO CCc1nc(C)sc1C(=O)NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000216115991 568106623 /nfs/dbraw/zinc/10/66/23/568106623.db2.gz IGNRWALFBSHXRN-QGZVFWFLSA-N 1 0 357.523 3.623 50 0 FHAARO CC(=O)Nc1cc(C[NH3+])cc(C(=O)N(Cc2ccccc2C)CC(C)C)c1 ZINC000216157592 568108934 /nfs/dbraw/zinc/10/89/34/568108934.db2.gz OZEGGDJOQMAYTL-UHFFFAOYSA-N 1 0 367.493 3.711 50 0 FHAARO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2ccc(C3CCCC3)s2)CC1 ZINC000216304715 568117619 /nfs/dbraw/zinc/11/76/19/568117619.db2.gz GNHFMGJAGXRHGY-SFHVURJKSA-N 1 0 362.539 3.619 50 0 FHAARO CCC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000008328163 568298992 /nfs/dbraw/zinc/29/89/92/568298992.db2.gz JCBYCIOFXHPMEI-VQIMIIECSA-N 1 0 371.502 3.846 50 0 FHAARO O=C(CC[NH+]1CCCCC1)N[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000219894855 568310066 /nfs/dbraw/zinc/31/00/66/568310066.db2.gz ZNKLJWXIARBTMN-FQEVSTJZSA-N 1 0 357.885 3.817 50 0 FHAARO CCCc1nc(CNC(=O)CN2CCC(c3ccccc3)CC2)cs1 ZINC000220311476 568334704 /nfs/dbraw/zinc/33/47/04/568334704.db2.gz WIGFVARCNMUUEG-UHFFFAOYSA-N 1 0 357.523 3.591 50 0 FHAARO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1-c1ccccc1 ZINC000223730370 568713620 /nfs/dbraw/zinc/71/36/20/568713620.db2.gz ZKVYUYSAILYVRN-FQEVSTJZSA-N 1 0 364.489 3.727 50 0 FHAARO c1ccc(SCC[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cc1 ZINC000091831054 570440344 /nfs/dbraw/zinc/44/03/44/570440344.db2.gz YRPUGILIYGWHKF-AZUAARDMSA-N 1 0 353.535 3.770 50 0 FHAARO CN1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1C(F)(F)F)CC2 ZINC000091860343 570441013 /nfs/dbraw/zinc/44/10/13/570441013.db2.gz RWTLRGNQIKOTSG-UHFFFAOYSA-N 1 0 358.379 3.679 50 0 FHAARO CO[C@H]1C[C@@H](O)C12CC[NH+](CCCC(=O)c1ccc(C(C)(C)C)cc1)CC2 ZINC000092001646 570444307 /nfs/dbraw/zinc/44/43/07/570444307.db2.gz UVWOWZXRZOICNS-RTWAWAEBSA-N 1 0 373.537 3.809 50 0 FHAARO Cc1ncsc1C[NH+]1CCC(c2nccn2Cc2cscn2)CC1 ZINC000092080980 570447006 /nfs/dbraw/zinc/44/70/06/570447006.db2.gz AUKUWKIBKYBPDU-UHFFFAOYSA-N 1 0 359.524 3.532 50 0 FHAARO c1cnn(Cc2cccc(C[N@@H+]3C[C@@H]4CC[C@H](C3)N(CC3CCC3)C4)c2)c1 ZINC000095353215 570452240 /nfs/dbraw/zinc/45/22/40/570452240.db2.gz JMXATODNIXUNQZ-XZOQPEGZSA-N 1 0 364.537 3.628 50 0 FHAARO O=C(c1ccnc2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095353261 570452322 /nfs/dbraw/zinc/45/23/22/570452322.db2.gz LNEQAZPKGUFNRE-WOJBJXKFSA-N 1 0 371.484 3.971 50 0 FHAARO Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)o1 ZINC000095355466 570452797 /nfs/dbraw/zinc/45/27/97/570452797.db2.gz GISIVHNLQYHSPY-IOMROCGXSA-N 1 0 358.432 3.928 50 0 FHAARO Fc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)c(F)c1F ZINC000095356989 570453218 /nfs/dbraw/zinc/45/32/18/570453218.db2.gz TXABKOXDBPRNTA-DOTOQJQBSA-N 1 0 361.411 3.595 50 0 FHAARO CN(CCn1ccc2ccccc21)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095362302 570454402 /nfs/dbraw/zinc/45/44/02/570454402.db2.gz WHICMOYLODKPNA-LJQANCHMSA-N 1 0 365.477 3.605 50 0 FHAARO O=C(c1cccc2cccnc21)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095362415 570454443 /nfs/dbraw/zinc/45/44/43/570454443.db2.gz LPFASYOFBRYYPT-TZIWHRDSSA-N 1 0 371.484 3.971 50 0 FHAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCc2cc(-c3ccccc3Cl)no2)C1 ZINC000095366917 570455505 /nfs/dbraw/zinc/45/55/05/570455505.db2.gz BTTMLDNCCIUFFZ-AWEZNQCLSA-N 1 0 361.873 3.733 50 0 FHAARO Cc1ncsc1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095370806 570456343 /nfs/dbraw/zinc/45/63/43/570456343.db2.gz JFGQMFHEORAGCN-RBUKOAKNSA-N 1 0 369.534 3.507 50 0 FHAARO CCC[NH+]1CCC(CC(=O)N2CCCC[C@@H]2c2nc(C(C)C)no2)CC1 ZINC000095373621 570456782 /nfs/dbraw/zinc/45/67/82/570456782.db2.gz JHEZHXNTIPCNCE-QGZVFWFLSA-N 1 0 362.518 3.759 50 0 FHAARO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccnc4ccccc24)C3)nc1 ZINC000095375406 570457299 /nfs/dbraw/zinc/45/72/99/570457299.db2.gz JCZVWIFPHMWXGE-GHTZIAJQSA-N 1 0 358.489 3.726 50 0 FHAARO CSCc1nc(CNC(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cs1 ZINC000095382046 570458930 /nfs/dbraw/zinc/45/89/30/570458930.db2.gz OJINJUAVQUPOSK-GOEBONIOSA-N 1 0 367.584 3.667 50 0 FHAARO Cc1ccc2ncccc2c1CNC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095384880 570460149 /nfs/dbraw/zinc/46/01/49/570460149.db2.gz REXZPICUSMMNCM-UHFFFAOYSA-N 1 0 363.461 3.665 50 0 FHAARO O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCC(c2cccc(O)c2)CC1 ZINC000095390300 570460772 /nfs/dbraw/zinc/46/07/72/570460772.db2.gz ROZGIKIBSRBVQZ-OAQYLSRUSA-N 1 0 364.489 3.879 50 0 FHAARO CCCSCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000095391508 570461172 /nfs/dbraw/zinc/46/11/72/570461172.db2.gz PEBNDWLDHJKAQC-IBGZPJMESA-N 1 0 360.567 3.858 50 0 FHAARO Cc1ccc2cccc(NC(=O)N3CCC([NH+]4CCSCC4)CC3)c2n1 ZINC000095501708 570463259 /nfs/dbraw/zinc/46/32/59/570463259.db2.gz NZTJOKIVNPXAQE-UHFFFAOYSA-N 1 0 370.522 3.588 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000095505662 570464503 /nfs/dbraw/zinc/46/45/03/570464503.db2.gz UZBFXYHKWQXQNY-GFCCVEGCSA-N 1 0 357.376 3.676 50 0 FHAARO Cc1ccc([C@@H]2CN(C(=O)c3cc(-c4ccccc4)n[nH]3)C[C@H]2[NH+](C)C)cc1 ZINC000095508385 570464822 /nfs/dbraw/zinc/46/48/22/570464822.db2.gz FRJHUCPQLWZYEY-SIKLNZKXSA-N 1 0 374.488 3.555 50 0 FHAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3c(C)noc3C)C2)cc1 ZINC000095512143 570465648 /nfs/dbraw/zinc/46/56/48/570465648.db2.gz LZCGGYBNHZMWCC-FQEVSTJZSA-N 1 0 371.525 3.687 50 0 FHAARO CC1CC[NH+](CCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000011641345 570490147 /nfs/dbraw/zinc/49/01/47/570490147.db2.gz JAXZMRAJKMYGCR-QGZVFWFLSA-N 1 0 365.518 3.784 50 0 FHAARO C[C@H](CCNC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)[NH+]1CCCC1 ZINC000584902537 570511115 /nfs/dbraw/zinc/51/11/15/570511115.db2.gz HNJULMZNPDLOKQ-MRXNPFEDSA-N 1 0 354.498 3.716 50 0 FHAARO COc1ccc([C@@H](CNc2ccc(Br)c(C)n2)[NH+](C)C)cc1 ZINC000095460587 570518270 /nfs/dbraw/zinc/51/82/70/570518270.db2.gz QDIGNZSXZPRGLX-MRXNPFEDSA-N 1 0 364.287 3.876 50 0 FHAARO Cc1ccc(C)c(C(=O)c2ccc(C[NH+]3CCC4(CC3)OCCO4)cc2)c1 ZINC000002514736 570523050 /nfs/dbraw/zinc/52/30/50/570523050.db2.gz GHORKXNTWWRUTC-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO Cc1cccc(C(=O)c2ccc(C[NH+]3CCC4(CC3)OCCO4)cc2)c1 ZINC000002514715 570523378 /nfs/dbraw/zinc/52/33/78/570523378.db2.gz NAQAFDYCTNVHCR-UHFFFAOYSA-N 1 0 351.446 3.565 50 0 FHAARO CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(O)cc1)C[NH+]1CCCC1 ZINC000002580996 570525514 /nfs/dbraw/zinc/52/55/14/570525514.db2.gz AIGXWIJHPRPNMP-FQEVSTJZSA-N 1 0 368.477 3.668 50 0 FHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3cc(F)cc(F)c3)c2)C1 ZINC000034670360 570527082 /nfs/dbraw/zinc/52/70/82/570527082.db2.gz DNQUKLVMXPTUKO-HNNXBMFYSA-N 1 0 360.404 3.802 50 0 FHAARO Fc1ccc(COc2cccc(C[NH2+]CCOc3ccccn3)c2)cc1 ZINC000113396140 570543846 /nfs/dbraw/zinc/54/38/46/570543846.db2.gz LKJGZYFXBWASBM-UHFFFAOYSA-N 1 0 352.409 3.968 50 0 FHAARO CC(C)C[NH+](CC(C)C)C[C@H](O)COc1ccccc1Br ZINC000002992167 570548477 /nfs/dbraw/zinc/54/84/77/570548477.db2.gz HAGMIUXRVWGUFA-HNNXBMFYSA-N 1 0 358.320 3.803 50 0 FHAARO Cc1ccc(C(=O)N(C)C)c(C2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000034725595 570550323 /nfs/dbraw/zinc/55/03/23/570550323.db2.gz AZQYUAAUKLGGCC-UHFFFAOYSA-N 1 0 355.457 3.611 50 0 FHAARO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000237459980 570558295 /nfs/dbraw/zinc/55/82/95/570558295.db2.gz CAJVGDWMSGAYNC-FZMZJTMJSA-N 1 0 363.914 3.971 50 0 FHAARO Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000004978417 570570910 /nfs/dbraw/zinc/57/09/10/570570910.db2.gz UOPFIWYXBIHPIP-LEWJYISDSA-N 1 0 366.486 3.715 50 0 FHAARO C[C@H]1C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(Br)cc2)N1O ZINC000003904819 570571404 /nfs/dbraw/zinc/57/14/04/570571404.db2.gz XEGSXYAQJISKDC-YVEFUNNKSA-N 1 0 361.239 3.715 50 0 FHAARO CC(C)c1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)no1 ZINC000121810015 570583330 /nfs/dbraw/zinc/58/33/30/570583330.db2.gz DECSUYVQYAWXOU-AYHJJNSGSA-N 1 0 353.466 3.723 50 0 FHAARO Cn1cccc1[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)[NH+]1CCCC1 ZINC000011845626 570596489 /nfs/dbraw/zinc/59/64/89/570596489.db2.gz PQFNTNXJCRRZQA-QGZVFWFLSA-N 1 0 366.292 3.899 50 0 FHAARO CC(C)c1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)no1 ZINC000124330562 570596745 /nfs/dbraw/zinc/59/67/45/570596745.db2.gz UXPJSMIUNOARIC-UYAOXDASSA-N 1 0 367.493 3.925 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCCc3cccs3)cc2)CC1 ZINC000011872726 570597943 /nfs/dbraw/zinc/59/79/43/570597943.db2.gz PVIUGSOVDGANKZ-UHFFFAOYSA-N 1 0 357.523 3.851 50 0 FHAARO COc1ccc(CC[N@H+](C)CCC(=O)Nc2ccc(C)cc2)cc1OC ZINC000004725219 570603184 /nfs/dbraw/zinc/60/31/84/570603184.db2.gz VIXNSKWMXWPTHJ-UHFFFAOYSA-N 1 0 356.466 3.515 50 0 FHAARO CN(Cc1cccs1)C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426488251 570608695 /nfs/dbraw/zinc/60/86/95/570608695.db2.gz MUSFHQLIIHHAIB-SFHVURJKSA-N 1 0 357.523 3.802 50 0 FHAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1Br ZINC000004872389 570611899 /nfs/dbraw/zinc/61/18/99/570611899.db2.gz PMZBYYOEWUUODT-CZUORRHYSA-N 1 0 352.272 3.870 50 0 FHAARO C[C@H](O)c1ccc(-c2ccc(C(=O)N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000426551974 570615784 /nfs/dbraw/zinc/61/57/84/570615784.db2.gz KVJBPFOIAONITD-KRWDZBQOSA-N 1 0 364.489 3.575 50 0 FHAARO COc1cc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)ccc1OCC(=O)N1CCCC1 ZINC000072659561 570621598 /nfs/dbraw/zinc/62/15/98/570621598.db2.gz XLTHLDILRPMXCA-YQVWRLOYSA-N 1 0 374.525 3.611 50 0 FHAARO O=C(NCc1ccnc(N2CCCC2)c1)N1CCc2cc(Cl)ccc2C1 ZINC000252483137 570622169 /nfs/dbraw/zinc/62/21/69/570622169.db2.gz DVWTTZNWAFHOMK-UHFFFAOYSA-N 1 0 370.884 3.603 50 0 FHAARO CCN(C)c1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cn1 ZINC000252494776 570623262 /nfs/dbraw/zinc/62/32/62/570623262.db2.gz OEMYMPHCHAFFAV-NRFANRHFSA-N 1 0 355.482 3.796 50 0 FHAARO COc1cccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C)CC2)c1 ZINC000005254030 570640257 /nfs/dbraw/zinc/64/02/57/570640257.db2.gz SYYKMDWJAUSQSW-FQEVSTJZSA-N 1 0 363.461 3.661 50 0 FHAARO COCc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192529111 570643501 /nfs/dbraw/zinc/64/35/01/570643501.db2.gz VNBZADPQKDUXKQ-HXUWFJFHSA-N 1 0 367.493 3.819 50 0 FHAARO COCc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000192565336 570643606 /nfs/dbraw/zinc/64/36/06/570643606.db2.gz AVLQJRUXBHYKLO-FQEVSTJZSA-N 1 0 367.493 3.519 50 0 FHAARO O=C(c1c(F)cccc1F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006699432 570652218 /nfs/dbraw/zinc/65/22/18/570652218.db2.gz HOVZLNFLSPYQBQ-UHFFFAOYSA-N 1 0 360.448 3.691 50 0 FHAARO COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161598433 570696659 /nfs/dbraw/zinc/69/66/59/570696659.db2.gz QAWWTIDJZBREBC-HXUWFJFHSA-N 1 0 352.478 3.604 50 0 FHAARO CC(=O)c1ccccc1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000011661314 570704100 /nfs/dbraw/zinc/70/41/00/570704100.db2.gz KZBHTMVRYMGZIA-LJQANCHMSA-N 1 0 350.462 3.626 50 0 FHAARO CN1CCC([NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000011839452 570708721 /nfs/dbraw/zinc/70/87/21/570708721.db2.gz WNXMXVRRZGNQOW-LJQANCHMSA-N 1 0 356.489 3.709 50 0 FHAARO COc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000011840195 570709334 /nfs/dbraw/zinc/70/93/34/570709334.db2.gz ZUHCZUJLUALSLA-SFHVURJKSA-N 1 0 366.461 3.749 50 0 FHAARO Cc1ccccc1C[NH+]1CCC2(C[C@@H]2C(=O)NCCc2ccccc2)CC1 ZINC000011869839 570710310 /nfs/dbraw/zinc/71/03/10/570710310.db2.gz QEPPCCDKXZPUNZ-JOCHJYFZSA-N 1 0 362.517 3.956 50 0 FHAARO Cc1ccccc1C[NH+]1CCC2(C[C@H]2C(=O)NCCc2ccccc2)CC1 ZINC000011869841 570710370 /nfs/dbraw/zinc/71/03/70/570710370.db2.gz QEPPCCDKXZPUNZ-QFIPXVFZSA-N 1 0 362.517 3.956 50 0 FHAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c(F)c1 ZINC000011935826 570711873 /nfs/dbraw/zinc/71/18/73/570711873.db2.gz ZQZGXBKPXAZIOI-SFHVURJKSA-N 1 0 371.460 3.625 50 0 FHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccncc1 ZINC000012003518 570713928 /nfs/dbraw/zinc/71/39/28/570713928.db2.gz MBHUSAMYNQKPFE-IBGZPJMESA-N 1 0 369.484 3.638 50 0 FHAARO COCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000012004841 570714021 /nfs/dbraw/zinc/71/40/21/570714021.db2.gz MEZVYAGCJJPVQP-UHFFFAOYSA-N 1 0 351.450 3.626 50 0 FHAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1cccs1 ZINC000012056142 570715373 /nfs/dbraw/zinc/71/53/73/570715373.db2.gz YANRHOGZETZMFY-MRXNPFEDSA-N 1 0 360.498 3.914 50 0 FHAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)/C=C/c2ccncc2)C1 ZINC000012076487 570717258 /nfs/dbraw/zinc/71/72/58/570717258.db2.gz ZUFAMXXFLWTKOQ-DGSRBQDKSA-N 1 0 363.505 3.508 50 0 FHAARO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3ccsc3)[N@@H+]3CCC[C@@]23C1=O ZINC000012198949 570726721 /nfs/dbraw/zinc/72/67/21/570726721.db2.gz NCBHOTARBWDAFB-ZJOUEHCJSA-N 1 0 352.503 3.995 50 0 FHAARO O=C(c1ccco1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012207089 570727574 /nfs/dbraw/zinc/72/75/74/570727574.db2.gz JZZAZPUXWGXSFR-IBGZPJMESA-N 1 0 360.498 3.555 50 0 FHAARO OCC1(C[C@@H]2CCCCO2)CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000012206721 570727607 /nfs/dbraw/zinc/72/76/07/570727607.db2.gz HGNPHPBUSQRMHI-INIZCTEOSA-N 1 0 360.523 3.830 50 0 FHAARO CCOc1ccccc1C[N@H+]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 ZINC000012218417 570728035 /nfs/dbraw/zinc/72/80/35/570728035.db2.gz KGAMQWLIOBGBHM-UHFFFAOYSA-N 1 0 372.896 3.973 50 0 FHAARO COc1cccc2c1OC[C@H]([NH2+]CCc1nc(-c3ccccc3)cs1)C2 ZINC000012226260 570730046 /nfs/dbraw/zinc/73/00/46/570730046.db2.gz LGTKYXLMGMMOAE-QGZVFWFLSA-N 1 0 366.486 3.955 50 0 FHAARO CC(C)Cc1cc(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)[nH]n1 ZINC000012302356 570734435 /nfs/dbraw/zinc/73/44/35/570734435.db2.gz IDBHCLIRQMMABU-QFIPXVFZSA-N 1 0 355.526 3.816 50 0 FHAARO CN(C)c1cccc(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c1 ZINC000012318530 570736398 /nfs/dbraw/zinc/73/63/98/570736398.db2.gz XUKALMZJALZDRJ-NRFANRHFSA-N 1 0 365.521 3.580 50 0 FHAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccc2c(c1)OCO2 ZINC000012407570 570742553 /nfs/dbraw/zinc/74/25/53/570742553.db2.gz ZKMZUWGBBPLIBG-UHFFFAOYSA-N 1 0 366.465 3.719 50 0 FHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccsc2)C1 ZINC000012429936 570744265 /nfs/dbraw/zinc/74/42/65/570744265.db2.gz HGFZFPLATQNWGP-QGZVFWFLSA-N 1 0 372.534 3.783 50 0 FHAARO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3=O)o1 ZINC000012459747 570747684 /nfs/dbraw/zinc/74/76/84/570747684.db2.gz LPDBDJJWYNGIJH-OAQYLSRUSA-N 1 0 374.431 3.881 50 0 FHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012580989 570751491 /nfs/dbraw/zinc/75/14/91/570751491.db2.gz YNYIWYVUQJPOKA-HNNXBMFYSA-N 1 0 365.399 3.842 50 0 FHAARO CCOC(=O)C1(C[C@H]2CCCCO2)CC[NH+](CCc2ccccc2)CC1 ZINC000012703198 570756677 /nfs/dbraw/zinc/75/66/77/570756677.db2.gz XONWACXKRVAXQD-HXUWFJFHSA-N 1 0 359.510 3.834 50 0 FHAARO O=C(CSc1ccccc1)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012704986 570757304 /nfs/dbraw/zinc/75/73/04/570757304.db2.gz OKCNCCOLHAAWOK-FQEVSTJZSA-N 1 0 368.546 3.992 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(F)cc1 ZINC000032623321 570759141 /nfs/dbraw/zinc/75/91/41/570759141.db2.gz BYINGYPSQUCKEC-HNNXBMFYSA-N 1 0 359.426 3.575 50 0 FHAARO C[C@H](NC(=O)CC[N@H+](C)CCOc1ccccc1Cl)c1ccccc1 ZINC000012787967 570760821 /nfs/dbraw/zinc/76/08/21/570760821.db2.gz CTANYJKSQPIVFS-INIZCTEOSA-N 1 0 360.885 3.918 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000012806993 570764298 /nfs/dbraw/zinc/76/42/98/570764298.db2.gz FHJBCOQQQIUUPC-UHFFFAOYSA-N 1 0 360.404 3.682 50 0 FHAARO CCC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000032675918 570767452 /nfs/dbraw/zinc/76/74/52/570767452.db2.gz OMANHZMSJFZUEK-OAQYLSRUSA-N 1 0 351.494 3.961 50 0 FHAARO CCn1c2ccccc2c2cc(C[NH2+]CCNC(=O)c3ccco3)ccc21 ZINC000004451572 570788474 /nfs/dbraw/zinc/78/84/74/570788474.db2.gz DXUHBLGPGNRSFI-UHFFFAOYSA-N 1 0 361.445 3.927 50 0 FHAARO COc1cc2c(cc1NC(=O)NCCC[NH+]1CC=CC1)oc1ccccc12 ZINC000101533018 570821127 /nfs/dbraw/zinc/82/11/27/570821127.db2.gz DCUSPCJXDWYRKA-UHFFFAOYSA-N 1 0 365.433 3.978 50 0 FHAARO O=C(NCc1ccccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000032863214 570824506 /nfs/dbraw/zinc/82/45/06/570824506.db2.gz LVAAZDQYXIRJAU-UHFFFAOYSA-N 1 0 357.885 3.935 50 0 FHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(OC)ccc2OC)N3)C1 ZINC000004556401 570834672 /nfs/dbraw/zinc/83/46/72/570834672.db2.gz DKXVITPTMMTDJJ-QGZVFWFLSA-N 1 0 373.478 3.572 50 0 FHAARO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000032899659 570839445 /nfs/dbraw/zinc/83/94/45/570839445.db2.gz BMNMWIVEBXZKOA-IRLDBZIGSA-N 1 0 353.462 3.678 50 0 FHAARO Cc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C[C@@H]2CCCO2)c1 ZINC000104973897 570865490 /nfs/dbraw/zinc/86/54/90/570865490.db2.gz OTZUCQPIWAZSJB-YADHBBJMSA-N 1 0 369.505 3.724 50 0 FHAARO COc1ccccc1CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000032930422 570871267 /nfs/dbraw/zinc/87/12/67/570871267.db2.gz DBWOSJAEHHKUKI-UHFFFAOYSA-N 1 0 366.505 3.786 50 0 FHAARO CC1(C)Oc2ccc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)cc2O1 ZINC000047551940 570891591 /nfs/dbraw/zinc/89/15/91/570891591.db2.gz KWSOZTAAJSKWPM-UHFFFAOYSA-N 1 0 359.470 3.676 50 0 FHAARO Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CC[N@H+](C)[C@@H]([C@H](C)O)C1 ZINC000107163006 570894924 /nfs/dbraw/zinc/89/49/24/570894924.db2.gz GTAQULXVGFJRLU-MHECFPHRSA-N 1 0 362.517 3.972 50 0 FHAARO CCc1nnsc1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048310341 570943909 /nfs/dbraw/zinc/94/39/09/570943909.db2.gz YVYHVDOXTORDBU-GASCZTMLSA-N 1 0 372.538 3.508 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CC[C@@H]2CCCO2)C1 ZINC000048313402 570946617 /nfs/dbraw/zinc/94/66/17/570946617.db2.gz KJEIFEBGOPQSEM-OPYAIIAOSA-N 1 0 358.526 3.740 50 0 FHAARO Cc1[nH]c2ccccc2c1CC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000048313466 570946643 /nfs/dbraw/zinc/94/66/43/570946643.db2.gz WMDTYULCQZXKSQ-UHFFFAOYSA-N 1 0 367.468 3.748 50 0 FHAARO COc1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1Cl ZINC000043331957 570948631 /nfs/dbraw/zinc/94/86/31/570948631.db2.gz ICVSOLMEDUUVEB-AWEZNQCLSA-N 1 0 353.875 3.835 50 0 FHAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000023115497 570956441 /nfs/dbraw/zinc/95/64/41/570956441.db2.gz CKSPQZJMLYBIJI-NRFANRHFSA-N 1 0 368.521 3.680 50 0 FHAARO C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744634 570958934 /nfs/dbraw/zinc/95/89/34/570958934.db2.gz XOTFJZBPQRISRX-CQSZACIVSA-N 1 0 358.869 3.848 50 0 FHAARO Nc1cc(N)[nH+]c(SCCOC(c2ccccc2)c2ccccc2)n1 ZINC000024834572 570983881 /nfs/dbraw/zinc/98/38/81/570983881.db2.gz IRBVPZIQAUYEED-UHFFFAOYSA-N 1 0 352.463 3.539 50 0 FHAARO COc1ccc([C@H](CNC(=O)NCc2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000024980759 570987813 /nfs/dbraw/zinc/98/78/13/570987813.db2.gz DIFMOECYDCRMEQ-NRFANRHFSA-N 1 0 367.493 3.640 50 0 FHAARO CCOc1c(Cl)cc(C[NH2+]C[C@H]2COc3ccccc3O2)cc1OC ZINC000025261811 570993111 /nfs/dbraw/zinc/99/31/11/570993111.db2.gz ASPXMAYWNPQPHV-AWEZNQCLSA-N 1 0 363.841 3.677 50 0 FHAARO COCc1c2ccccc2oc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025329246 570993799 /nfs/dbraw/zinc/99/37/99/570993799.db2.gz IMCDLHLYGVMKJG-INIZCTEOSA-N 1 0 358.463 3.673 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1F)c1ccsc1 ZINC000025331232 570994608 /nfs/dbraw/zinc/99/46/08/570994608.db2.gz QGMNWMZFDASUSL-CQSZACIVSA-N 1 0 371.275 3.682 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1cc(F)ccc1Br)c1ccsc1 ZINC000025331125 570994621 /nfs/dbraw/zinc/99/46/21/570994621.db2.gz KXEVCEHSNMALQT-AWEZNQCLSA-N 1 0 371.275 3.682 50 0 FHAARO Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025331152 570994626 /nfs/dbraw/zinc/99/46/26/570994626.db2.gz FHSRLQVAQQOLKW-OAHLLOKOSA-N 1 0 372.519 3.608 50 0 FHAARO O=C(CC[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1cccc(F)c1 ZINC000025946752 571001648 /nfs/dbraw/zinc/00/16/48/571001648.db2.gz IXLWDQWFTQZVBJ-UHFFFAOYSA-N 1 0 354.425 3.749 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccsc2)cc1 ZINC000026311249 571004475 /nfs/dbraw/zinc/00/44/75/571004475.db2.gz OKTKGLSVNYCZHW-CQSZACIVSA-N 1 0 352.525 3.629 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCC2)cc1 ZINC000027795009 571021567 /nfs/dbraw/zinc/02/15/67/571021567.db2.gz GHCBBXXFUNWQPH-QFIPXVFZSA-N 1 0 366.505 3.944 50 0 FHAARO CCN(CC)c1ccc(N[C@@H](COC(C)=O)c2ccc(Cl)cn2)cn1 ZINC000225410827 571033758 /nfs/dbraw/zinc/03/37/58/571033758.db2.gz QCBMGYKZYYFPOW-KRWDZBQOSA-N 1 0 362.861 3.693 50 0 FHAARO COc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000038489577 571043817 /nfs/dbraw/zinc/04/38/17/571043817.db2.gz YRXLVMOGCOYZBP-UHFFFAOYSA-N 1 0 353.466 3.729 50 0 FHAARO CC(C)[N@@H+]1CCN(Cc2cnc(SCc3ccccc3)nc2)C[C@H]1C ZINC000215501713 571050318 /nfs/dbraw/zinc/05/03/18/571050318.db2.gz KBXAZLQWUPMANM-QGZVFWFLSA-N 1 0 356.539 3.683 50 0 FHAARO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCS1 ZINC000072304984 571060283 /nfs/dbraw/zinc/06/02/83/571060283.db2.gz KKEYQULHXLGGRT-GRDNDAEWSA-N 1 0 354.947 3.979 50 0 FHAARO CCSCC[C@H](C)[N@H+](C)CC(=O)N(Cc1ccccc1F)C1CC1 ZINC000072305342 571061150 /nfs/dbraw/zinc/06/11/50/571061150.db2.gz ULXKSGRXSUKZOW-HNNXBMFYSA-N 1 0 352.519 3.780 50 0 FHAARO Cc1ccc(CNC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)cc1 ZINC000033274468 571063748 /nfs/dbraw/zinc/06/37/48/571063748.db2.gz ZLPOTSCOVDTIQF-UHFFFAOYSA-N 1 0 369.534 3.898 50 0 FHAARO CCC(=O)Nc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000072309364 571067863 /nfs/dbraw/zinc/06/78/63/571067863.db2.gz QZOXIJRMMAKDQX-GOSISDBHSA-N 1 0 373.884 3.721 50 0 FHAARO COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000016672169 571070197 /nfs/dbraw/zinc/07/01/97/571070197.db2.gz CTNZEQWLVNEXNA-AEFFLSMTSA-N 1 0 360.457 3.629 50 0 FHAARO CCOC(=O)c1c(NC(=O)C[NH2+][C@H](C)c2ccccc2)sc2c1CCC2 ZINC000002916420 571071893 /nfs/dbraw/zinc/07/18/93/571071893.db2.gz SWCYRIXPPIKLHN-CYBMUJFWSA-N 1 0 372.490 3.703 50 0 FHAARO COc1ccccc1[C@H](CNc1cc(=O)oc2ccc(C)cc12)[NH+](C)C ZINC000008915947 571072095 /nfs/dbraw/zinc/07/20/95/571072095.db2.gz YGIYVPWMNNNWHI-SFHVURJKSA-N 1 0 352.434 3.825 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000008917213 571072396 /nfs/dbraw/zinc/07/23/96/571072396.db2.gz WEVXFLBMPVUREB-FQEVSTJZSA-N 1 0 356.441 3.791 50 0 FHAARO CCOc1ccccc1C[NH2+]CC[C@@](O)(c1ccc(C)o1)C(F)(F)F ZINC000040088621 571074325 /nfs/dbraw/zinc/07/43/25/571074325.db2.gz SZITWVNRXRHMNN-QGZVFWFLSA-N 1 0 357.372 3.917 50 0 FHAARO CCCN(Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000040104074 571076893 /nfs/dbraw/zinc/07/68/93/571076893.db2.gz RBQYUWPVLZUPNR-UHFFFAOYSA-N 1 0 366.509 3.883 50 0 FHAARO C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000040104080 571077051 /nfs/dbraw/zinc/07/70/51/571077051.db2.gz GWPSBJHPAHWWNM-SFHVURJKSA-N 1 0 366.509 3.581 50 0 FHAARO Cc1ccc2c(c1)C[N@H+](CCC(=O)N[C@H](C)c1ccc(F)cc1)C[C@H](C)O2 ZINC000244605548 571085957 /nfs/dbraw/zinc/08/59/57/571085957.db2.gz FARFBMZOBFYIQC-DLBZAZTESA-N 1 0 370.468 3.985 50 0 FHAARO CCC[N@H+](CC(=O)NC(=O)NCC)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000040151438 571086275 /nfs/dbraw/zinc/08/62/75/571086275.db2.gz KWAWJQZPNMVHEB-LLVKDONJSA-N 1 0 360.285 3.612 50 0 FHAARO O=C(Cc1cccc2cccnc21)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000084536013 571088660 /nfs/dbraw/zinc/08/86/60/571088660.db2.gz AHPIVTMQWASLSJ-QFIPXVFZSA-N 1 0 373.500 3.948 50 0 FHAARO OCC[NH2+]Cc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000040739846 571095518 /nfs/dbraw/zinc/09/55/18/571095518.db2.gz MBQCONNXZUCIQE-UHFFFAOYSA-N 1 0 370.674 3.763 50 0 FHAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]Cc3cccnc3)c2)cc1 ZINC000040739077 571095729 /nfs/dbraw/zinc/09/57/29/571095729.db2.gz ZIDZSIGIKKIXRI-UHFFFAOYSA-N 1 0 361.445 3.697 50 0 FHAARO Cc1cccc(COc2ccc(Br)cc2C[NH2+]C[C@H](C)O)c1 ZINC000040744032 571095963 /nfs/dbraw/zinc/09/59/63/571095963.db2.gz GQLBYCANDBOLMC-AWEZNQCLSA-N 1 0 364.283 3.807 50 0 FHAARO Cc1c(O)ccc2c(C[N@H+](C)CCOc3cccc(Cl)c3)cc(=O)oc12 ZINC000012778168 571096770 /nfs/dbraw/zinc/09/67/70/571096770.db2.gz KQUPKNLZZWJMEB-UHFFFAOYSA-N 1 0 373.836 3.971 50 0 FHAARO Brc1ccc(OCCC2CC[NH2+]CC2)c(Br)c1 ZINC000042772157 571098681 /nfs/dbraw/zinc/09/86/81/571098681.db2.gz XNEVCJJAKANYGD-UHFFFAOYSA-N 1 0 363.093 3.980 50 0 FHAARO CC[NH+](CC)[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000084771160 571099405 /nfs/dbraw/zinc/09/94/05/571099405.db2.gz UHKIBAGCAUJRGU-FQEVSTJZSA-N 1 0 351.450 3.593 50 0 FHAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000040624706 571100953 /nfs/dbraw/zinc/10/09/53/571100953.db2.gz KHJNCABPFBXPTB-LLVKDONJSA-N 1 0 359.695 3.563 50 0 FHAARO C[N@H+](CCCNC(=O)C1(n2cccc2)CCCCC1)Cc1ccccc1 ZINC000033019308 571103581 /nfs/dbraw/zinc/10/35/81/571103581.db2.gz QCTNHMDXKVAEIF-UHFFFAOYSA-N 1 0 353.510 3.786 50 0 FHAARO CC[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2C)CC1)c1ccc(C)cc1 ZINC000426635771 571105473 /nfs/dbraw/zinc/10/54/73/571105473.db2.gz ZGYSILJPIAHKGC-LJQANCHMSA-N 1 0 352.482 3.681 50 0 FHAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@H]21 ZINC000240626732 571108921 /nfs/dbraw/zinc/10/89/21/571108921.db2.gz HIXYJQWLYQXPLW-NLWGTHIKSA-N 1 0 367.493 3.970 50 0 FHAARO CC(C)c1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)CC2)no1 ZINC000241371377 571109884 /nfs/dbraw/zinc/10/98/84/571109884.db2.gz MNBPGSWTVDXBBW-SFHVURJKSA-N 1 0 355.482 3.925 50 0 FHAARO CNC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000074229821 571110071 /nfs/dbraw/zinc/11/00/71/571110071.db2.gz FZIJYFVELQFASA-QFIPXVFZSA-N 1 0 360.457 3.934 50 0 FHAARO O=C(Cc1ccccc1F)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000033028459 571110136 /nfs/dbraw/zinc/11/01/36/571110136.db2.gz IQWAEBDSEMVJTN-LJQANCHMSA-N 1 0 360.860 3.975 50 0 FHAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1noc2c1COc1ccccc1-2 ZINC000033028838 571110461 /nfs/dbraw/zinc/11/04/61/571110461.db2.gz WXYLTAPKMCVCLW-HUUCEWRRSA-N 1 0 369.465 3.617 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000009479187 571110740 /nfs/dbraw/zinc/11/07/40/571110740.db2.gz JGHMSCSVJYQAKY-INIZCTEOSA-N 1 0 365.246 3.621 50 0 FHAARO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000009482565 571110770 /nfs/dbraw/zinc/11/07/70/571110770.db2.gz FAIGRXYRBBDSHC-UHFFFAOYSA-N 1 0 367.493 3.750 50 0 FHAARO CCc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](OCc2ccccn2)C1 ZINC000243956972 571113070 /nfs/dbraw/zinc/11/30/70/571113070.db2.gz CFBIOLATDTWCBJ-FQEVSTJZSA-N 1 0 367.493 3.654 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c[nH]nc1-c1cccs1 ZINC000072329482 571113179 /nfs/dbraw/zinc/11/31/79/571113179.db2.gz LDOJNZLOHYEPPE-UHFFFAOYSA-N 1 0 366.490 3.533 50 0 FHAARO Cc1c(OCc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)ccc2c1CCCC2 ZINC000244564081 571113620 /nfs/dbraw/zinc/11/36/20/571113620.db2.gz CMEGQXURQMUKAQ-IYBDPMFKSA-N 1 0 352.482 3.584 50 0 FHAARO Cc1ccc(CNC(=O)C[NH+]2CCC(COCc3ccccc3)CC2)cc1 ZINC000070637169 571114178 /nfs/dbraw/zinc/11/41/78/571114178.db2.gz HTLMTMUHRGRJSK-UHFFFAOYSA-N 1 0 366.505 3.540 50 0 FHAARO CCc1nnc(NC(=O)CC[N@H+](Cc2ccc3[nH]ccc3c2)C2CC2)s1 ZINC000244748693 571116209 /nfs/dbraw/zinc/11/62/09/571116209.db2.gz OMOPZIBXPUGWEF-UHFFFAOYSA-N 1 0 369.494 3.575 50 0 FHAARO COc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000244763877 571116231 /nfs/dbraw/zinc/11/62/31/571116231.db2.gz OXBOELPWPRZWIG-GOSISDBHSA-N 1 0 364.449 3.737 50 0 FHAARO CSc1ccc(C[N@H+](CCO)Cc2c(C)cc(C)c(CO)c2C)cc1 ZINC000055182816 571117393 /nfs/dbraw/zinc/11/73/93/571117393.db2.gz LFPOOQLFZZYDQW-UHFFFAOYSA-N 1 0 359.535 3.821 50 0 FHAARO Cc1cccc(-c2ncc(C[NH2+]C[C@@H](O)c3ccccc3Cl)cn2)c1 ZINC000055255064 571118829 /nfs/dbraw/zinc/11/88/29/571118829.db2.gz WUARSRAQRSNFBO-LJQANCHMSA-N 1 0 353.853 3.929 50 0 FHAARO C[C@@H](CO)C[N@H+](Cc1ccccc1)Cc1ccc(Oc2ncccn2)cc1 ZINC000055344387 571119610 /nfs/dbraw/zinc/11/96/10/571119610.db2.gz HJCYPQBWHUVYPA-GOSISDBHSA-N 1 0 363.461 3.900 50 0 FHAARO [NH3+]CCN1C(=O)S/C(=C\c2ccc(F)c(Oc3ccccc3)c2)C1=O ZINC000003620455 571121142 /nfs/dbraw/zinc/12/11/42/571121142.db2.gz UWFKEKMWTADQDQ-WJDWOHSUSA-N 1 0 358.394 3.613 50 0 FHAARO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)COc1ccc(F)cc1 ZINC000058153222 571125647 /nfs/dbraw/zinc/12/56/47/571125647.db2.gz WARVGDITLSRRSR-UHFFFAOYSA-N 1 0 374.481 3.700 50 0 FHAARO COCC[NH2+]Cc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000247832724 571125735 /nfs/dbraw/zinc/12/57/35/571125735.db2.gz HYDMTUXZZPLJDQ-UHFFFAOYSA-N 1 0 374.847 3.522 50 0 FHAARO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(-c2nnco2)c1 ZINC000058167247 571126584 /nfs/dbraw/zinc/12/65/84/571126584.db2.gz VDTQKKFUINYSQH-KRWDZBQOSA-N 1 0 357.458 3.513 50 0 FHAARO O=C(NCc1ccc(-n2ccnc2)nc1)c1cc2c(cccc2F)s1 ZINC000058226693 571130027 /nfs/dbraw/zinc/13/00/27/571130027.db2.gz QMOMRJOSWJENQW-UHFFFAOYSA-N 1 0 352.394 3.551 50 0 FHAARO CN1CCc2nc(NC(=O)c3ccnc(Oc4ccccc4)c3)sc2C1 ZINC000058228430 571130047 /nfs/dbraw/zinc/13/00/47/571130047.db2.gz IJDZUDVRLLBNIV-UHFFFAOYSA-N 1 0 366.446 3.571 50 0 FHAARO O=C(Cc1ccc(F)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000058356551 571131265 /nfs/dbraw/zinc/13/12/65/571131265.db2.gz UVWLEDRKLVANLC-UHFFFAOYSA-N 1 0 362.448 3.866 50 0 FHAARO Cc1ccc(-n2cccn2)c(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000252508478 571133695 /nfs/dbraw/zinc/13/36/95/571133695.db2.gz XNUZGOABQGDIGY-UHFFFAOYSA-N 1 0 364.468 3.638 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000033059853 571139013 /nfs/dbraw/zinc/13/90/13/571139013.db2.gz MSJFGKPIVAHBFE-HNNXBMFYSA-N 1 0 368.506 3.691 50 0 FHAARO CC(C)Cc1nnc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000025445460 571146144 /nfs/dbraw/zinc/14/61/44/571146144.db2.gz ODLWWMHFJLEIGY-UHFFFAOYSA-N 1 0 358.511 3.975 50 0 FHAARO O=C(CCOc1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000052554517 571147119 /nfs/dbraw/zinc/14/71/19/571147119.db2.gz KSQAPBZXEDXVAG-UHFFFAOYSA-N 1 0 372.896 3.890 50 0 FHAARO CSCC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1cccc1 ZINC000575444510 571152958 /nfs/dbraw/zinc/15/29/58/571152958.db2.gz NTWAUWRXUXCIKA-FQEVSTJZSA-N 1 0 371.550 3.563 50 0 FHAARO O=C(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1)NCc1cccs1 ZINC000075107788 571155453 /nfs/dbraw/zinc/15/54/53/571155453.db2.gz XWEQHUNSEYXIGS-ICSRJNTNSA-N 1 0 372.534 3.733 50 0 FHAARO O=C(CCn1ccc2ccccc21)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000075107489 571155562 /nfs/dbraw/zinc/15/55/62/571155562.db2.gz CQKJITGFELZOGO-VXKWHMMOSA-N 1 0 373.500 3.622 50 0 FHAARO Cn1cc([C@H](CNC(=O)/C=C/c2cccs2)[NH+](C)C)c2ccccc21 ZINC000075149163 571156966 /nfs/dbraw/zinc/15/69/66/571156966.db2.gz IJVLBLVAEDAPIY-VYENPZKTSA-N 1 0 353.491 3.672 50 0 FHAARO c1coc([C@@H](CNc2nc(C3CCCC3)nc3c2CNC3)[NH+]2CCCC2)c1 ZINC000072125352 571170340 /nfs/dbraw/zinc/17/03/40/571170340.db2.gz QYTWJHIVXXNEOZ-GOSISDBHSA-N 1 0 367.497 3.579 50 0 FHAARO c1cc(-c2ccc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4[C@H]3C3CCN4CC3)o2)n[nH]1 ZINC000072122364 571170403 /nfs/dbraw/zinc/17/04/03/571170403.db2.gz IWZCLXJABDVVJF-UEVCKROQSA-N 1 0 374.488 3.732 50 0 FHAARO CSc1ccc(CN2CCn3nc(C[N@@H+]4CCC[C@@H]4C)cc3C2)cc1 ZINC000072131875 571171033 /nfs/dbraw/zinc/17/10/33/571171033.db2.gz FDRBUBYSHKXULV-INIZCTEOSA-N 1 0 356.539 3.605 50 0 FHAARO c1csc(-c2ncc(C[N@H+]3CCC[C@@H](OCc4ccccn4)C3)cn2)c1 ZINC000072143673 571172389 /nfs/dbraw/zinc/17/23/89/571172389.db2.gz GOKJEFCFUFYQOR-GOSISDBHSA-N 1 0 366.490 3.781 50 0 FHAARO CCn1cc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c(C)n1 ZINC000072145508 571173083 /nfs/dbraw/zinc/17/30/83/571173083.db2.gz KZYCDOUECQYIFQ-UHFFFAOYSA-N 1 0 367.415 3.714 50 0 FHAARO O=C(c1ccc2ncccc2c1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072148070 571173615 /nfs/dbraw/zinc/17/36/15/571173615.db2.gz UPLNORYRTPQTDD-JOCHJYFZSA-N 1 0 371.484 3.550 50 0 FHAARO COc1ccc2[nH]c(C[N@@H+]3CCCN(Cc4cccnc4)CC3)c(C)c2c1 ZINC000072152124 571174401 /nfs/dbraw/zinc/17/44/01/571174401.db2.gz GHDBWSRACMTKGH-UHFFFAOYSA-N 1 0 364.493 3.588 50 0 FHAARO CC(C)c1ncc(CN2CCC[N@H+](CCCc3ccccc3)CC2)cn1 ZINC000072158440 571175356 /nfs/dbraw/zinc/17/53/56/571175356.db2.gz LYWXXLASIAADKO-UHFFFAOYSA-N 1 0 352.526 3.741 50 0 FHAARO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)cc(=O)[nH]1 ZINC000072157291 571175362 /nfs/dbraw/zinc/17/53/62/571175362.db2.gz FSJICZOSDZIJPK-LJQANCHMSA-N 1 0 360.461 3.520 50 0 FHAARO CSc1nccc(N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)n1 ZINC000072166386 571176726 /nfs/dbraw/zinc/17/67/26/571176726.db2.gz WTTLCZKXPIVASH-NRFANRHFSA-N 1 0 368.550 3.734 50 0 FHAARO COc1ccccc1[C@H]1CN(C(=O)CC2CCCC2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072168534 571177119 /nfs/dbraw/zinc/17/71/19/571177119.db2.gz UNEPVILUGLTZQT-UEVCKROQSA-N 1 0 368.521 3.664 50 0 FHAARO c1ccc2[nH]c(C[C@H]3CCC[N@H+](Cc4cccc5nccnc45)C3)nc2c1 ZINC000072168797 571177271 /nfs/dbraw/zinc/17/72/71/571177271.db2.gz LIDILUUWTVWVBW-MRXNPFEDSA-N 1 0 357.461 3.961 50 0 FHAARO CC(C)[C@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc21)[NH+](C)C ZINC000012540575 571177391 /nfs/dbraw/zinc/17/73/91/571177391.db2.gz ILWAJFJKFLROOG-NRFANRHFSA-N 1 0 362.477 3.613 50 0 FHAARO Cc1cc(C[NH+]2CCC(CNC(=O)NCc3cccs3)CC2)c(C)o1 ZINC000043972993 571178458 /nfs/dbraw/zinc/17/84/58/571178458.db2.gz MJUDCUIQBALPJO-UHFFFAOYSA-N 1 0 361.511 3.669 50 0 FHAARO CCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000035509798 571179550 /nfs/dbraw/zinc/17/95/50/571179550.db2.gz GMAWXRMOHVAQDJ-UHFFFAOYSA-N 1 0 368.506 3.749 50 0 FHAARO CCn1cc(C[NH+]2CCC(C(=O)NC(C)(C)C)CC2)c2cc(OC)ccc21 ZINC000035527041 571181333 /nfs/dbraw/zinc/18/13/33/571181333.db2.gz DZDUQJSGEOZACN-UHFFFAOYSA-N 1 0 371.525 3.797 50 0 FHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000006335628 571181594 /nfs/dbraw/zinc/18/15/94/571181594.db2.gz ZYPVKPJVSFEPAY-OAHLLOKOSA-N 1 0 363.255 3.609 50 0 FHAARO Cc1cccc2cc(C[N@H+]3CCC(=O)NC[C@H]3C)c(-c3cccs3)nc12 ZINC000072419493 571192882 /nfs/dbraw/zinc/19/28/82/571192882.db2.gz CXSZRFSLEVQLHR-OAHLLOKOSA-N 1 0 365.502 3.982 50 0 FHAARO O=C1CC[C@@]2(CCC[N@H+](CCc3ccccn3)C2)CN1Cc1ccccc1 ZINC000072422879 571193481 /nfs/dbraw/zinc/19/34/81/571193481.db2.gz PQOKBRAMGSQPJY-HSZRJFAPSA-N 1 0 363.505 3.529 50 0 FHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@H+](C)CCO ZINC000072433420 571195990 /nfs/dbraw/zinc/19/59/90/571195990.db2.gz ZUBBAMCPKZZSOV-UHFFFAOYSA-N 1 0 357.404 3.550 50 0 FHAARO O=C(Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccco3)nc2)C1 ZINC000072434229 571196291 /nfs/dbraw/zinc/19/62/91/571196291.db2.gz VLICYVWVVNGIQE-LJQANCHMSA-N 1 0 361.445 3.760 50 0 FHAARO CC(C)[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072462563 571197931 /nfs/dbraw/zinc/19/79/31/571197931.db2.gz BNTRQZOBYSSNNO-IBGZPJMESA-N 1 0 360.542 3.583 50 0 FHAARO CC[N@H+](CCO)Cc1cn(-c2ccccc2F)nc1-c1ccc(OC)cc1 ZINC000072473772 571198571 /nfs/dbraw/zinc/19/85/71/571198571.db2.gz KHWAOPYAOSGMMN-UHFFFAOYSA-N 1 0 369.440 3.501 50 0 FHAARO COCC[N@H+](C)Cc1cn(-c2ccccc2F)nc1-c1ccc(OC)cc1 ZINC000072476867 571199183 /nfs/dbraw/zinc/19/91/83/571199183.db2.gz YKWNXSYLHQROPB-UHFFFAOYSA-N 1 0 369.440 3.765 50 0 FHAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000075572648 571200923 /nfs/dbraw/zinc/20/09/23/571200923.db2.gz KPPPELVEAATHGW-QGZVFWFLSA-N 1 0 369.415 3.861 50 0 FHAARO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(-c4cnco4)s3)cc2)C1 ZINC000534577212 571204727 /nfs/dbraw/zinc/20/47/27/571204727.db2.gz PCPHACLYMVAMII-MRXNPFEDSA-N 1 0 367.474 3.846 50 0 FHAARO CC(=O)c1cccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000077355844 571208798 /nfs/dbraw/zinc/20/87/98/571208798.db2.gz APHZZWVVCGXJHI-UHFFFAOYSA-N 1 0 364.489 3.670 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc(-c3ccc4c[nH]nc4c3)c2)C1 ZINC000534662609 571208969 /nfs/dbraw/zinc/20/89/69/571208969.db2.gz NKARHHBQPAZSEF-MRXNPFEDSA-N 1 0 374.488 3.929 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]nc1C1CC1)c1ccccc1Cl ZINC000184220853 571209503 /nfs/dbraw/zinc/20/95/03/571209503.db2.gz WJMBCJBAYFDOIO-QGZVFWFLSA-N 1 0 360.889 3.753 50 0 FHAARO CN(C)Cc1nnc(C2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)n1C ZINC000077380301 571209597 /nfs/dbraw/zinc/20/95/97/571209597.db2.gz VMTZNCTWAXLYRV-UHFFFAOYSA-N 1 0 369.557 3.554 50 0 FHAARO COc1ccc2oc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)c(C)c2c1 ZINC000006589275 571210790 /nfs/dbraw/zinc/21/07/90/571210790.db2.gz GYFPHXCRPSJORY-HNNXBMFYSA-N 1 0 358.463 3.844 50 0 FHAARO Cc1ccc([C@@H]2CN(Cc3cc(-c4ccccn4)no3)C[C@H]2[NH+](C)C)cc1 ZINC000077485824 571213200 /nfs/dbraw/zinc/21/32/00/571213200.db2.gz KCABPHMIZONEAD-SIKLNZKXSA-N 1 0 362.477 3.575 50 0 FHAARO COc1cccc(OCCC[N@@H+]2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)c1 ZINC000077566113 571215572 /nfs/dbraw/zinc/21/55/72/571215572.db2.gz MLIYFRGZRYONLO-QFIPXVFZSA-N 1 0 374.525 3.577 50 0 FHAARO Cc1cccnc1CN(Cc1ccccc1)C(=O)NCCC[NH+]1CCCC1 ZINC000426380140 571217128 /nfs/dbraw/zinc/21/71/28/571217128.db2.gz RDBMSMAYXBFXKN-UHFFFAOYSA-N 1 0 366.509 3.588 50 0 FHAARO CC1(C)CC(NC(=O)c2cccc(-c3ccc(F)cn3)c2)CC(C)(C)[NH2+]1 ZINC000426401698 571220190 /nfs/dbraw/zinc/22/01/90/571220190.db2.gz IEPXOQAWXTXOMD-UHFFFAOYSA-N 1 0 355.457 3.927 50 0 FHAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3c(C)cc(C)cc3-n3cccn3)[C@H]2C1 ZINC000426412214 571221647 /nfs/dbraw/zinc/22/16/47/571221647.db2.gz HTJBYECQYVLLLQ-BVYCBKJFSA-N 1 0 369.509 3.648 50 0 FHAARO CO[C@]12CC[N@H+](Cc3ccc(N(C)c4ccccc4)cc3)[C@H]1C[C@H](O)CC2 ZINC000426430919 571224532 /nfs/dbraw/zinc/22/45/32/571224532.db2.gz ALFKONNAMVNUIE-XPWALMASSA-N 1 0 366.505 3.959 50 0 FHAARO C[C@@H](c1cccnc1)N(C)C(=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000426430989 571224590 /nfs/dbraw/zinc/22/45/90/571224590.db2.gz GNKFPLIBVYRHNB-SFHVURJKSA-N 1 0 366.509 3.664 50 0 FHAARO CC(=O)c1ccccc1-c1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000426486036 571227807 /nfs/dbraw/zinc/22/78/07/571227807.db2.gz GSYXCFIFEAUECA-FQEVSTJZSA-N 1 0 362.473 3.867 50 0 FHAARO Cc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)c(C)c1F ZINC000082107687 571228311 /nfs/dbraw/zinc/22/83/11/571228311.db2.gz KSHPJEDLBMPBEB-UHFFFAOYSA-N 1 0 353.441 3.841 50 0 FHAARO O=C1Nc2ccccc2NC12CC[NH+](Cc1cccc3ncccc13)CC2 ZINC000082120176 571228684 /nfs/dbraw/zinc/22/86/84/571228684.db2.gz NIHTWBSVOJUCAI-UHFFFAOYSA-N 1 0 358.445 3.634 50 0 FHAARO Cc1cc(C(=O)N2CC[NH+](C3CCSCC3)CC2)c2cccc(C)c2n1 ZINC000082167134 571229547 /nfs/dbraw/zinc/22/95/47/571229547.db2.gz VHPZAWXYSBVZRE-UHFFFAOYSA-N 1 0 369.534 3.505 50 0 FHAARO Cc1n[nH]c(C)c1CNC(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000426530380 571230424 /nfs/dbraw/zinc/23/04/24/571230424.db2.gz GIQLRBAOBQOYHM-FQEVSTJZSA-N 1 0 369.513 3.525 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccs1 ZINC000035982407 571230608 /nfs/dbraw/zinc/23/06/08/571230608.db2.gz OHMPHPSIUYJVTH-HNNXBMFYSA-N 1 0 366.914 3.978 50 0 FHAARO Cc1ccc(Cc2cnc(NC(=O)C[NH2+]Cc3ccccc3)s2)cc1 ZINC000004750099 571230854 /nfs/dbraw/zinc/23/08/54/571230854.db2.gz OGVKYSPNAWPLPE-UHFFFAOYSA-N 1 0 351.475 3.771 50 0 FHAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1ccc(-c2sccc2C)cc1 ZINC000426550702 571231696 /nfs/dbraw/zinc/23/16/96/571231696.db2.gz YIGDMDCIWLMATP-ROUUACIJSA-N 1 0 358.507 3.561 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2cncnc2)cc1)c1ccco1 ZINC000426582743 571232187 /nfs/dbraw/zinc/23/21/87/571232187.db2.gz DOCXXIGVZUFKQA-LJQANCHMSA-N 1 0 364.449 3.550 50 0 FHAARO CN(CC[NH+]1CCCCCC1)C(=O)c1cccc(-c2cccc(CO)c2)c1 ZINC000426581056 571232262 /nfs/dbraw/zinc/23/22/62/571232262.db2.gz XCQZKWGHXVOMRC-UHFFFAOYSA-N 1 0 366.505 3.794 50 0 FHAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3c(O)ccc4ccccc43)cc2)C1 ZINC000426628266 571233793 /nfs/dbraw/zinc/23/37/93/571233793.db2.gz NGUBTGXTYAYARI-IBGZPJMESA-N 1 0 360.457 3.989 50 0 FHAARO O=C(NCC[C@H]1CCCC[NH2+]1)c1cccc(-c2cc(O)c(F)c(F)c2)c1 ZINC000426658489 571234419 /nfs/dbraw/zinc/23/44/19/571234419.db2.gz UMBHDGSZPMPCKT-MRXNPFEDSA-N 1 0 360.404 3.599 50 0 FHAARO Cc1cc(Cl)ccc1-c1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC000426674024 571234839 /nfs/dbraw/zinc/23/48/39/571234839.db2.gz JEAFQKNEISASRX-UHFFFAOYSA-N 1 0 372.896 3.502 50 0 FHAARO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(-c3ccc(O)c(F)c3)cc2)C1 ZINC000426701808 571235824 /nfs/dbraw/zinc/23/58/24/571235824.db2.gz ZMTVGTRTSCEKLQ-HNNXBMFYSA-N 1 0 356.441 3.660 50 0 FHAARO CC1(C)C[N@@H+](C2CCN(C(=O)c3ccncc3)CC2)C[C@@H]1c1ccccc1 ZINC000426740663 571236833 /nfs/dbraw/zinc/23/68/33/571236833.db2.gz XRWITJGAJPWDBP-OAQYLSRUSA-N 1 0 363.505 3.812 50 0 FHAARO O[C@H](COCc1ccco1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000036031321 571238923 /nfs/dbraw/zinc/23/89/23/571238923.db2.gz PCRSBMDRNJQNDX-NRFANRHFSA-N 1 0 351.446 3.860 50 0 FHAARO CC(=O)c1cc(C[N@@H+]2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)n(C)c1 ZINC000091321127 571239108 /nfs/dbraw/zinc/23/91/08/571239108.db2.gz KMVZDLXCAGJNAQ-QFIPXVFZSA-N 1 0 368.477 3.801 50 0 FHAARO C[C@]1(c2ccccc2)CCC[N@@H+](C2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000091469000 571240077 /nfs/dbraw/zinc/24/00/77/571240077.db2.gz OPHAYZHTMFWLTF-QHCPKHFHSA-N 1 0 363.505 3.740 50 0 FHAARO COc1ccc(F)cc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1c(C)noc1C)C2 ZINC000091493753 571240131 /nfs/dbraw/zinc/24/01/31/571240131.db2.gz GVKDNPOPNIFQMV-QFBILLFUSA-N 1 0 373.472 3.536 50 0 FHAARO CC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)cc1 ZINC000091535986 571240296 /nfs/dbraw/zinc/24/02/96/571240296.db2.gz WRRFUZWGZZAVFI-FCHUYYIVSA-N 1 0 362.473 3.512 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2scnc2C)C3)cc1 ZINC000091518973 571240344 /nfs/dbraw/zinc/24/03/44/571240344.db2.gz CGCZQGKOAAOOQZ-ZWKOTPCHSA-N 1 0 357.523 3.557 50 0 FHAARO COc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COCc2ccco2)cc1 ZINC000036095296 571240711 /nfs/dbraw/zinc/24/07/11/571240711.db2.gz RTDRAIRVIHLJJI-IBGZPJMESA-N 1 0 361.482 3.714 50 0 FHAARO COc1ccccc1C[N@H+](CCC(C)C)C[C@@H](O)COc1ccccc1 ZINC000036096205 571240728 /nfs/dbraw/zinc/24/07/28/571240728.db2.gz WONQCICTHQFCOF-HXUWFJFHSA-N 1 0 357.494 3.983 50 0 FHAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102535 571241928 /nfs/dbraw/zinc/24/19/28/571241928.db2.gz PPWMMQZVXJQTRT-HXUWFJFHSA-N 1 0 359.441 3.532 50 0 FHAARO Fc1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)ccc1Cl ZINC000091663639 571242004 /nfs/dbraw/zinc/24/20/04/571242004.db2.gz UXLDSGQRALCEPO-ZWKOTPCHSA-N 1 0 359.876 3.971 50 0 FHAARO Ic1ccc(OC2CC[NH+](C3CCC3)CC2)cc1 ZINC000091693048 571242300 /nfs/dbraw/zinc/24/23/00/571242300.db2.gz JCFQUGMLEUDMBQ-UHFFFAOYSA-N 1 0 357.235 3.687 50 0 FHAARO COc1ccccc1-c1ncc(CNC(=O)CC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000091714018 571242729 /nfs/dbraw/zinc/24/27/29/571242729.db2.gz GCSQSCJNZFJNKN-HNNXBMFYSA-N 1 0 373.522 3.557 50 0 FHAARO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(-c3ccccc3)c2)C[C@H]1CCCO ZINC000091737269 571242961 /nfs/dbraw/zinc/24/29/61/571242961.db2.gz IILFPLSNSCEQMJ-YADHBBJMSA-N 1 0 366.505 3.518 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000036341275 571248429 /nfs/dbraw/zinc/24/84/29/571248429.db2.gz IGGDTHJMKXTACK-FQEVSTJZSA-N 1 0 371.431 3.984 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000036341276 571248433 /nfs/dbraw/zinc/24/84/33/571248433.db2.gz IGGDTHJMKXTACK-HXUWFJFHSA-N 1 0 371.431 3.984 50 0 FHAARO COc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000036396106 571253073 /nfs/dbraw/zinc/25/30/73/571253073.db2.gz IHCMSLVZHLKVMD-SFHVURJKSA-N 1 0 366.505 3.786 50 0 FHAARO COc1ccc(C[N@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000006940530 571255270 /nfs/dbraw/zinc/25/52/70/571255270.db2.gz GMYMEZZHOLIHEL-DENIHFKCSA-N 1 0 355.478 3.582 50 0 FHAARO Cn1cc(-c2ccc(F)cc2)cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000065170625 571255575 /nfs/dbraw/zinc/25/55/75/571255575.db2.gz QNRSXEIVQWJMLD-UHFFFAOYSA-N 1 0 369.484 3.922 50 0 FHAARO C[C@H](C[NH+]1CCCCC1)C(=O)N1CCC(CCOc2ccccc2)CC1 ZINC000065181271 571255926 /nfs/dbraw/zinc/25/59/26/571255926.db2.gz TYQAIFYDUVGXHG-LJQANCHMSA-N 1 0 358.526 3.816 50 0 FHAARO O=C(Nc1ccccc1)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 ZINC000007000471 571256681 /nfs/dbraw/zinc/25/66/81/571256681.db2.gz YTMMOUXWXNHFEG-UHFFFAOYSA-N 1 0 364.424 3.731 50 0 FHAARO CCCn1c2ncccc2nc1[C@@H]1CC[N@H+](Cc2ccccc2OC)C1 ZINC000065285370 571260042 /nfs/dbraw/zinc/26/00/42/571260042.db2.gz LWGALZDYWFOLET-QGZVFWFLSA-N 1 0 350.466 3.839 50 0 FHAARO Cc1oc(C2CCC2)nc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065293529 571260653 /nfs/dbraw/zinc/26/06/53/571260653.db2.gz UDHZTDCNGKCEFD-UHFFFAOYSA-N 1 0 353.466 3.645 50 0 FHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C)c(C)c1 ZINC000007374127 571264516 /nfs/dbraw/zinc/26/45/16/571264516.db2.gz BTENQHICBYPQQY-FPOVZHCZSA-N 1 0 370.518 3.608 50 0 FHAARO CCOC(=O)C1CC[NH+](Cc2cncc(-c3cc(F)ccc3OC)c2)CC1 ZINC000037279070 571267723 /nfs/dbraw/zinc/26/77/23/571267723.db2.gz VWVYVQPMDNWIKD-UHFFFAOYSA-N 1 0 372.440 3.671 50 0 FHAARO COC(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1C)OC ZINC000009882888 571269778 /nfs/dbraw/zinc/26/97/78/571269778.db2.gz FNJHAEOZUGYMOX-UHFFFAOYSA-N 1 0 365.477 3.865 50 0 FHAARO CSc1ccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000003612757 571275955 /nfs/dbraw/zinc/27/59/55/571275955.db2.gz AKERFQHUWGGNJK-UHFFFAOYSA-N 1 0 355.507 3.978 50 0 FHAARO O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000007597297 571279546 /nfs/dbraw/zinc/27/95/46/571279546.db2.gz CUXXXPQKMBWOCB-MRXNPFEDSA-N 1 0 366.383 3.794 50 0 FHAARO COCCN(C)c1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCC2)cn1 ZINC000252480512 571280101 /nfs/dbraw/zinc/28/01/01/571280101.db2.gz CBGYJJZOQGYBAW-UHFFFAOYSA-N 1 0 357.473 3.515 50 0 FHAARO C[C@H](NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(Br)cc1 ZINC000007811232 571289705 /nfs/dbraw/zinc/28/97/05/571289705.db2.gz SFDKTGSMFOUREQ-MCIONIFRSA-N 1 0 353.304 3.604 50 0 FHAARO C[C@H](NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(Br)cc1 ZINC000007811229 571289740 /nfs/dbraw/zinc/28/97/40/571289740.db2.gz SFDKTGSMFOUREQ-MJBXVCDLSA-N 1 0 353.304 3.604 50 0 FHAARO COc1ccc(-c2c(C)n(O)c(C)c(-c3ccc(OC)cc3)[n+]2=O)cc1 ZINC000135943662 571309256 /nfs/dbraw/zinc/30/92/56/571309256.db2.gz YOXCJLTWKRVUBE-UHFFFAOYSA-N 1 0 353.398 3.608 50 0 FHAARO CC[C@@H]1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000253370731 571311783 /nfs/dbraw/zinc/31/17/83/571311783.db2.gz VGCWVKRFARFXNT-CXAGYDPISA-N 1 0 365.930 3.935 50 0 FHAARO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)N(C)Cc2cccc(F)c2)C12CCCC2 ZINC000253429999 571313236 /nfs/dbraw/zinc/31/32/36/571313236.db2.gz PKEVQKRUZNAJLH-AYOQOUSVSA-N 1 0 362.489 3.500 50 0 FHAARO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1cc(C)ccn1 ZINC000584890334 571314567 /nfs/dbraw/zinc/31/45/67/571314567.db2.gz AHQFOMDNYAHTRQ-LJQANCHMSA-N 1 0 354.498 3.615 50 0 FHAARO C[C@H](c1cccs1)N(C)C(=O)NC1CC[NH+](C2CCSCC2)CC1 ZINC000584892773 571314839 /nfs/dbraw/zinc/31/48/39/571314839.db2.gz UBZLKDQALYQBCV-CQSZACIVSA-N 1 0 367.584 3.811 50 0 FHAARO O=C(c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1)N1CCCCCC1 ZINC000584898656 571315929 /nfs/dbraw/zinc/31/59/29/571315929.db2.gz REHDJPRYODYQQC-UHFFFAOYSA-N 1 0 363.505 3.779 50 0 FHAARO O=c1c2c3c(sc2nc2sc(C[NH+]4CCCCC4)cn21)CCCC3 ZINC000002445539 571322444 /nfs/dbraw/zinc/32/24/44/571322444.db2.gz UQLKMGVGAPANOZ-UHFFFAOYSA-N 1 0 359.520 3.835 50 0 FHAARO COc1cc(C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)cc(OC)c1OC ZINC000093529967 571326777 /nfs/dbraw/zinc/32/67/77/571326777.db2.gz QJFTWBDUANZXQF-IBGZPJMESA-N 1 0 373.493 3.732 50 0 FHAARO CN1CC[N@H+](C)Cc2ccc(NC(=O)CC(C)(C)c3ccccc3)cc21 ZINC000095464821 571330389 /nfs/dbraw/zinc/33/03/89/571330389.db2.gz RPXVEBFRUDPZED-UHFFFAOYSA-N 1 0 351.494 3.875 50 0 FHAARO CC[C@@H](C)[N@@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)[C@@H](C)CC ZINC000095996020 571333618 /nfs/dbraw/zinc/33/36/18/571333618.db2.gz KMCKFRVZEATJEA-OWCLPIDISA-N 1 0 350.503 3.780 50 0 FHAARO O=C(CCc1cccc(Cl)c1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225685746 571337872 /nfs/dbraw/zinc/33/78/72/571337872.db2.gz GSJMRYBKXOAKIN-NRFANRHFSA-N 1 0 368.908 3.932 50 0 FHAARO CCc1ccccc1NC(=S)N(CCOC)C1CC[NH+](C(C)C)CC1 ZINC000002933472 571341911 /nfs/dbraw/zinc/34/19/11/571341911.db2.gz NCLCSAMRDDSHIA-UHFFFAOYSA-N 1 0 363.571 3.767 50 0 FHAARO Cc1cc([C@H]2CCCN2C(=O)C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000057154921 571342423 /nfs/dbraw/zinc/34/24/23/571342423.db2.gz WROJPDKCDJUCMI-HXUWFJFHSA-N 1 0 353.466 3.559 50 0 FHAARO O=C(CCc1ccc(Cl)s1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057167736 571342434 /nfs/dbraw/zinc/34/24/34/571342434.db2.gz XPBPSAMDRGVNHO-UHFFFAOYSA-N 1 0 363.914 3.510 50 0 FHAARO O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000057413225 571343269 /nfs/dbraw/zinc/34/32/69/571343269.db2.gz CKIIFGPKKGSWPA-UHFFFAOYSA-N 1 0 372.900 3.821 50 0 FHAARO C[C@H](c1ccncc1)N(CC[NH+](C)C)C(=S)Nc1cc(F)cc(F)c1 ZINC000003049901 571344182 /nfs/dbraw/zinc/34/41/82/571344182.db2.gz LMALNQRCTKSAKE-CYBMUJFWSA-N 1 0 364.465 3.681 50 0 FHAARO CCc1nc(C)c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)o1 ZINC000670438640 571347936 /nfs/dbraw/zinc/34/79/36/571347936.db2.gz OPMJNAOGZQITOW-SFHVURJKSA-N 1 0 355.482 3.893 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Cc2ccccc2F)[NH+]2CCCCC2)cc1 ZINC000003415481 571349290 /nfs/dbraw/zinc/34/92/90/571349290.db2.gz WAIVTHFYHCTICS-OAQYLSRUSA-N 1 0 370.468 3.720 50 0 FHAARO CCOC(=O)c1c(NC(=O)C[NH2+]C(C)C)sc(C)c1-c1ccccc1 ZINC000003440575 571349768 /nfs/dbraw/zinc/34/97/68/571349768.db2.gz TXOZLSGVKHIFTI-UHFFFAOYSA-N 1 0 360.479 3.837 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000003459403 571350072 /nfs/dbraw/zinc/35/00/72/571350072.db2.gz UZOVFPGEJIQBFP-JOCHJYFZSA-N 1 0 372.468 3.950 50 0 FHAARO CC1(C)Cc2occ(C(=O)OC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2C(=O)C1 ZINC000004028132 571354144 /nfs/dbraw/zinc/35/41/44/571354144.db2.gz AOSJXLNQRXKINT-GOEBONIOSA-N 1 0 359.466 3.856 50 0 biogenic FHAARO Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)CC1CC[NH+](C)CC1 ZINC000291493982 935053619 /nfs/dbraw/zinc/05/36/19/935053619.db2.gz LWUIQPLCYYITNV-FQEVSTJZSA-N 1 0 366.509 3.788 50 0 FHAARO CC(=O)OCc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)o1 ZINC000022916796 935540466 /nfs/dbraw/zinc/54/04/66/935540466.db2.gz KXLUXKAKCZMWJT-RTWAWAEBSA-N 1 0 360.498 3.572 50 0 FHAARO CCCc1ncc(CN(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cn1 ZINC000022933366 935787624 /nfs/dbraw/zinc/78/76/24/935787624.db2.gz CYPUJAUHEFQGQP-QFIPXVFZSA-N 1 0 366.553 3.958 50 0 FHAARO O=C1NCCCN1C1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000135407504 940211103 /nfs/dbraw/zinc/21/11/03/940211103.db2.gz YXZQWDWYXKQNMJ-UHFFFAOYSA-N 1 0 365.477 3.859 50 0 FHAARO COc1cc(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)ccc1F ZINC000020538187 941896323 /nfs/dbraw/zinc/89/63/23/941896323.db2.gz UDEOWTLSSBHJQR-HXUWFJFHSA-N 1 0 354.469 3.857 50 0 FHAARO COc1cccc(C[N@@H+]2CCCCCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000257177481 942484716 /nfs/dbraw/zinc/48/47/16/942484716.db2.gz DURIUSUBRHSVDT-OAQYLSRUSA-N 1 0 352.478 3.929 50 0 FHAARO CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H](Oc4cccc(F)c4)C3)cnc21 ZINC000183371829 942866301 /nfs/dbraw/zinc/86/63/01/942866301.db2.gz ZYWVBBIWDSTSLD-LJQANCHMSA-N 1 0 354.429 3.805 50 0 FHAARO c1c(COCc2ccccc2)nnn1[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000675012274 943610041 /nfs/dbraw/zinc/61/00/41/943610041.db2.gz YORKHMAWXLDFNM-NRFANRHFSA-N 1 0 354.498 3.822 50 0 FHAARO CC(C)C(=O)N1CCc2[nH]cnc2[C@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675012429 943610585 /nfs/dbraw/zinc/61/05/85/943610585.db2.gz KXHXAZGIFVAGQD-OAQYLSRUSA-N 1 0 372.557 3.784 50 0 FHAARO CC(C)C[N@@H+]1CCc2nc[nH]c2[C@@H]1C1CCN(C(=O)c2ccccc2)CC1 ZINC000675012440 943610661 /nfs/dbraw/zinc/61/06/61/943610661.db2.gz LFDDAVUHNJQWNG-NRFANRHFSA-N 1 0 366.509 3.517 50 0 FHAARO CC(C)C[N@@H+]1C[C@@H](c2ncco2)C2(C1)CCN(C(=O)c1ccccc1)CC2 ZINC000675014692 943621979 /nfs/dbraw/zinc/62/19/79/943621979.db2.gz PMNVEPRJRWKVQR-IBGZPJMESA-N 1 0 367.493 3.652 50 0 FHAARO Cn1ccnc1C[C@@H]1CCCN(C(=O)C(C)(C)c2cccc(Cl)c2)C1 ZINC000120280732 944981385 /nfs/dbraw/zinc/98/13/85/944981385.db2.gz RWYHFIDPJUNCDP-HNNXBMFYSA-N 1 0 359.901 3.832 50 0 FHAARO COCCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000426503126 945003395 /nfs/dbraw/zinc/00/33/95/945003395.db2.gz IOXSUSFPFIWMRS-JOCHJYFZSA-N 1 0 358.526 3.661 50 0 FHAARO O=C(C1CC[NH+](CC2CCCCC2)CC1)N1CCN(c2ccccc2)CC1 ZINC000004707013 946556479 /nfs/dbraw/zinc/55/64/79/946556479.db2.gz PTYSNAJQXQPOMT-UHFFFAOYSA-N 1 0 369.553 3.628 50 0 FHAARO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000120947158 946933541 /nfs/dbraw/zinc/93/35/41/946933541.db2.gz OLTVSFOZFSFPPE-MRXNPFEDSA-N 1 0 363.465 3.514 50 0 FHAARO Cc1cccc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n1 ZINC000124760553 947155563 /nfs/dbraw/zinc/15/55/63/947155563.db2.gz UFHDCQIFILZPFA-HZPDHXFCSA-N 1 0 352.482 3.668 50 0 FHAARO C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000888099978 948443262 /nfs/dbraw/zinc/44/32/62/948443262.db2.gz MEYLISHTMJPDFH-ZIAGYGMSSA-N 1 0 357.420 3.798 50 0 FHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000000752314 210267168 /nfs/dbraw/zinc/26/71/68/210267168.db2.gz CTKNVDNSSWILGI-HNNXBMFYSA-N 1 0 353.304 3.530 50 0 FHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000000755595 210266979 /nfs/dbraw/zinc/26/69/79/210266979.db2.gz MLTSPDZUHQCLEW-GFCCVEGCSA-N 1 0 359.333 3.591 50 0 FHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000000752315 210266688 /nfs/dbraw/zinc/26/66/88/210266688.db2.gz CTKNVDNSSWILGI-OAHLLOKOSA-N 1 0 353.304 3.530 50 0 FHAARO CCOc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccccc2)cc1 ZINC000000627253 210252291 /nfs/dbraw/zinc/25/22/91/210252291.db2.gz YYPWDRNTNHDQPY-JOCHJYFZSA-N 1 0 351.470 3.736 50 0 FHAARO O=C(CC[NH+]1CCCCC1)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000219894820 222708988 /nfs/dbraw/zinc/70/89/88/222708988.db2.gz ZNKLJWXIARBTMN-HXUWFJFHSA-N 1 0 357.885 3.817 50 0 FHAARO C[C@H](CNc1cc(C(=O)NC2CC2)c2ccccc2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000195666982 210102736 /nfs/dbraw/zinc/10/27/36/210102736.db2.gz WUIWBBNAEYYXBX-HZPDHXFCSA-N 1 0 366.509 3.659 50 0 FHAARO O=C(Cc1ccc(O)c(Cl)c1)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000299800390 210039509 /nfs/dbraw/zinc/03/95/09/210039509.db2.gz VGCOUUPEEXAXCS-OAHLLOKOSA-N 1 0 350.890 3.501 50 0 FHAARO O=C(NC[C@H](c1cccnc1)[NH+]1CCCCC1)Nc1cccc2c1CCC2 ZINC000299793301 210033878 /nfs/dbraw/zinc/03/38/78/210033878.db2.gz IKJUTTZZYZIYRE-OAQYLSRUSA-N 1 0 364.493 3.919 50 0 FHAARO Cc1ccsc1-c1cccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2CO)c1 ZINC000299792775 210033055 /nfs/dbraw/zinc/03/30/55/210033055.db2.gz GOXYZVWPSKJZBR-IBGZPJMESA-N 1 0 372.534 3.690 50 0 FHAARO COc1cc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccco3)C2)ccc1C ZINC000299798945 210037637 /nfs/dbraw/zinc/03/76/37/210037637.db2.gz URIGMCWVNLCKEL-MRXNPFEDSA-N 1 0 357.454 3.630 50 0 FHAARO CCN(Cc1ccncc1)C(=O)c1cccc(-c2ccc(C[NH+](C)C)cn2)c1 ZINC000299798756 210037096 /nfs/dbraw/zinc/03/70/96/210037096.db2.gz VSTQDCONPSMMOM-UHFFFAOYSA-N 1 0 374.488 3.868 50 0 FHAARO O=C(Nc1cccc2ccccc21)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000299790108 210030901 /nfs/dbraw/zinc/03/09/01/210030901.db2.gz ATTOLVUKSHMWEG-SFHVURJKSA-N 1 0 353.466 3.605 50 0 FHAARO COc1ccc2[nH]c(C[N@H+]3CC[C@]4(OC)CC[C@@H](OC)C[C@H]34)c(C)c2c1 ZINC000299783083 210026829 /nfs/dbraw/zinc/02/68/29/210026829.db2.gz VVPVISRLWXVQEP-TYCQWZJGSA-N 1 0 358.482 3.643 50 0 FHAARO [NH3+]CC[C@H]1CN(C(=O)Nc2ccc(-c3cccc(Cl)c3)cc2)CCO1 ZINC000299773745 210019348 /nfs/dbraw/zinc/01/93/48/210019348.db2.gz DMYVBLRTDFRILB-SFHVURJKSA-N 1 0 359.857 3.589 50 0 FHAARO CCc1oc(C(=O)N2CC(Oc3ccc(C)cc3)C2)cc1C[NH+]1CCCC1 ZINC000299761987 210013452 /nfs/dbraw/zinc/01/34/52/210013452.db2.gz SZLGPQFFZBFWSA-UHFFFAOYSA-N 1 0 368.477 3.650 50 0 FHAARO C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1ccc(OCc2cccs2)cc1 ZINC000299763903 210013184 /nfs/dbraw/zinc/01/31/84/210013184.db2.gz YTYNSTLHSTXLBB-INIZCTEOSA-N 1 0 359.495 3.933 50 0 FHAARO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)cc1 ZINC000299755284 210008712 /nfs/dbraw/zinc/00/87/12/210008712.db2.gz FQKCNHXWHNUXTM-GOSISDBHSA-N 1 0 354.498 3.946 50 0 FHAARO CC(=O)c1ccc(NC(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000299759623 210011809 /nfs/dbraw/zinc/01/18/09/210011809.db2.gz NQRARFICGXFKPA-IBGZPJMESA-N 1 0 365.477 3.923 50 0 FHAARO COC[C@@H](C)[N@H+](Cc1cn(C)nc1C)Cc1ccc(OC)c2ccccc12 ZINC000299755565 210008513 /nfs/dbraw/zinc/00/85/13/210008513.db2.gz BKBZMVOYPZTLPU-MRXNPFEDSA-N 1 0 367.493 3.927 50 0 FHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)C1 ZINC000237074191 222905718 /nfs/dbraw/zinc/90/57/18/222905718.db2.gz VWICPYQEPQVJLH-CQSZACIVSA-N 1 0 360.404 3.829 50 0 FHAARO O=C(NCc1ccc(F)cc1Cl)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000064817940 212044638 /nfs/dbraw/zinc/04/46/38/212044638.db2.gz CLRNGEVZWYIJKB-UHFFFAOYSA-N 1 0 358.844 3.928 50 0 FHAARO O=C(Cn1c(-c2cccs2)cc2ccccc21)NCC[NH+]1CCCC1 ZINC000064657415 212041951 /nfs/dbraw/zinc/04/19/51/212041951.db2.gz FAFKPCCEYXGRKH-UHFFFAOYSA-N 1 0 353.491 3.582 50 0 FHAARO CCc1nn(C)c(Cl)c1CN(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000063871386 212035135 /nfs/dbraw/zinc/03/51/35/212035135.db2.gz MSJAHGOIFWEAGO-UHFFFAOYSA-N 1 0 374.960 3.775 50 0 FHAARO COC(=O)c1cccn1C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000060356746 212020368 /nfs/dbraw/zinc/02/03/68/212020368.db2.gz IEBQJHFSFQFGLQ-UHFFFAOYSA-N 1 0 350.821 3.904 50 0 FHAARO COc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2cccc3nccnc23)C1 ZINC000059955755 212018363 /nfs/dbraw/zinc/01/83/63/212018363.db2.gz LKQGIBLFOHNGLR-KRWDZBQOSA-N 1 0 361.445 3.733 50 0 FHAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cn(CC)nc2C)C1 ZINC000012712915 220021365 /nfs/dbraw/zinc/02/13/65/220021365.db2.gz LSWRMAJLGDKKOC-QFIPXVFZSA-N 1 0 369.509 3.599 50 0 FHAARO O=C(CCOc1ccc(F)cc1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000058394094 212007902 /nfs/dbraw/zinc/00/79/02/212007902.db2.gz ROBMDRHDOKVQHG-UHFFFAOYSA-N 1 0 374.431 3.515 50 0 FHAARO C[C@@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058406579 212008847 /nfs/dbraw/zinc/00/88/47/212008847.db2.gz PLNCYSJHWFHWBA-OAHLLOKOSA-N 1 0 364.917 3.878 50 0 FHAARO Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000058282468 212002333 /nfs/dbraw/zinc/00/23/33/212002333.db2.gz WPJKKCZFEKYZNV-UHFFFAOYSA-N 1 0 367.493 3.669 50 0 FHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(Br)o2)C1 ZINC000058264964 212002167 /nfs/dbraw/zinc/00/21/67/212002167.db2.gz KGRQDDYCSAFSPB-FRRDWIJNSA-N 1 0 355.276 3.520 50 0 FHAARO Cc1ccc2ncc(C(=O)N(CC[NH+]3CCCCCC3)C(C)C)c(O)c2c1 ZINC000055154548 211939132 /nfs/dbraw/zinc/93/91/32/211939132.db2.gz GNUXQZUXGIMMLR-UHFFFAOYSA-N 1 0 369.509 3.563 50 0 FHAARO COc1ccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(OC)c1 ZINC000013325270 220063813 /nfs/dbraw/zinc/06/38/13/220063813.db2.gz CKGYKFLUXHMULM-UHFFFAOYSA-N 1 0 355.438 3.944 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000017244347 220211175 /nfs/dbraw/zinc/21/11/75/220211175.db2.gz FOXKGUAZRBDKEL-WSTZPKSXSA-N 1 0 363.542 3.718 50 0 FHAARO O=C(CSc1ccc(F)cc1)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038583924 211444184 /nfs/dbraw/zinc/44/41/84/211444184.db2.gz CUQRLKNMXCPRMQ-UHFFFAOYSA-N 1 0 362.470 3.539 50 0 FHAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@H](C(C)C)[NH+](C)C)cc12 ZINC000025451463 211431517 /nfs/dbraw/zinc/43/15/17/211431517.db2.gz CLDMWJAQNGWRDH-QGZVFWFLSA-N 1 0 370.522 3.711 50 0 FHAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccoc2)Cc2ccccc2C1 ZINC000023129783 211377147 /nfs/dbraw/zinc/37/71/47/211377147.db2.gz WQASZKXHTXUGRU-UHFFFAOYSA-N 1 0 360.457 3.679 50 0 FHAARO Cc1ccsc1C[NH+]1CCC(n2cc([C@@H](O)c3ccccc3)nn2)CC1 ZINC000023398951 211386438 /nfs/dbraw/zinc/38/64/38/211386438.db2.gz DZMVGJNQVHKFMY-FQEVSTJZSA-N 1 0 368.506 3.567 50 0 FHAARO CCc1c(C)nc(-c2ccc(C[N@H+](C)Cc3cccc(O)c3)cc2)[nH]c1=O ZINC000023251676 211381677 /nfs/dbraw/zinc/38/16/77/211381677.db2.gz MCGFXPHKIIGQSG-UHFFFAOYSA-N 1 0 363.461 3.645 50 0 FHAARO O=C(C1CC[NH+](Cc2cccc3cccnc32)CC1)N1CCCCCC1 ZINC000022516228 211353216 /nfs/dbraw/zinc/35/32/16/211353216.db2.gz QZKFUVDHQODHOQ-UHFFFAOYSA-N 1 0 351.494 3.849 50 0 FHAARO O=C(/C=C/c1cccc(Cl)c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022375360 211348629 /nfs/dbraw/zinc/34/86/29/211348629.db2.gz LLGKAMBWLFDMKX-BQYQJAHWSA-N 1 0 362.901 3.505 50 0 FHAARO Cc1cc(C(=O)CCC(=O)NCCC[N@@H+](C)Cc2ccccc2)c(C)s1 ZINC000021939117 211331725 /nfs/dbraw/zinc/33/17/25/211331725.db2.gz XPNVEHHYJXAECA-UHFFFAOYSA-N 1 0 372.534 3.966 50 0 FHAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(C(F)(F)F)cc1 ZINC000021783256 211325206 /nfs/dbraw/zinc/32/52/06/211325206.db2.gz QJAAUKFGNJPLIY-UHFFFAOYSA-N 1 0 363.383 3.885 50 0 FHAARO O=C(NCc1cccc(F)c1)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000021663511 211321436 /nfs/dbraw/zinc/32/14/36/211321436.db2.gz MSUFDACTRDWCKF-UHFFFAOYSA-N 1 0 373.497 3.729 50 0 FHAARO Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC[NH2+]CC2)cc1 ZINC000020855418 211297777 /nfs/dbraw/zinc/29/77/77/211297777.db2.gz ZVJFPQVJJPZUMT-UHFFFAOYSA-N 1 0 360.461 3.900 50 0 FHAARO Cc1cn2c(nc(C[N@@H+](Cc3ccc(F)cc3)CC(C)C)cc2=O)s1 ZINC000021102273 211305818 /nfs/dbraw/zinc/30/58/18/211305818.db2.gz YJIIJUUGCPKQFP-UHFFFAOYSA-N 1 0 359.470 3.862 50 0 FHAARO CC[N@H+](CCNC(=O)c1cccc2c1SCCC2=O)Cc1ccccc1 ZINC000021103243 211305459 /nfs/dbraw/zinc/30/54/59/211305459.db2.gz FVMXEWWEOHLDOP-UHFFFAOYSA-N 1 0 368.502 3.617 50 0 FHAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575549 211287553 /nfs/dbraw/zinc/28/75/53/211287553.db2.gz HBTOBYMFZRYRLC-GASCZTMLSA-N 1 0 350.466 3.709 50 0 FHAARO CCc1ccc([C@@](O)(CC)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440952 211280089 /nfs/dbraw/zinc/28/00/89/211280089.db2.gz YLDGIIMMCYOGNH-PKTZIBPZSA-N 1 0 353.506 3.963 50 0 FHAARO Clc1ccc(C[N@@H+]2CC[C@@H](C3CCN(Cc4c[nH]cn4)CC3)C2)cc1 ZINC000019739585 211251407 /nfs/dbraw/zinc/25/14/07/211251407.db2.gz LHEKNONCEQMITH-GOSISDBHSA-N 1 0 358.917 3.797 50 0 FHAARO Fc1ccc(-c2n[nH]cc2CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019722867 211250844 /nfs/dbraw/zinc/25/08/44/211250844.db2.gz JJXVLYVNMJUQRJ-UHFFFAOYSA-N 1 0 350.441 3.534 50 0 FHAARO CN1CC[NH+](CCCn2c(-c3ccccc3)cn3c4ccccc4nc32)CC1 ZINC000019854847 211259494 /nfs/dbraw/zinc/25/94/94/211259494.db2.gz OSCRLMJATOEDCD-UHFFFAOYSA-N 1 0 373.504 3.594 50 0 FHAARO CCCn1ncc(C[NH2+][C@@H](C)c2cnn(-c3ccc(OC)cc3)c2C)c1C ZINC000019758622 211255994 /nfs/dbraw/zinc/25/59/94/211255994.db2.gz QRPPGRZDTMOOHY-HNNXBMFYSA-N 1 0 367.497 3.955 50 0 FHAARO COc1cc(CN2CC[NH+](C3CCCCCC3)CC2)cc(OC)c1OC ZINC000019789485 211254889 /nfs/dbraw/zinc/25/48/89/211254889.db2.gz REOWSLHEUNEEDO-UHFFFAOYSA-N 1 0 362.514 3.553 50 0 FHAARO CC(=O)NCCC1CC[NH+](Cc2nc(-c3cccc(C)c3)oc2C)CC1 ZINC000019758558 211254758 /nfs/dbraw/zinc/25/47/58/211254758.db2.gz XFGJJDAYTXEZLF-UHFFFAOYSA-N 1 0 355.482 3.697 50 0 FHAARO OCC[C@H]1CN(Cc2c[nH]c3ccccc23)CC[N@@H+]1CC1CCCCC1 ZINC000019229548 211209091 /nfs/dbraw/zinc/20/90/91/211209091.db2.gz KQLLRNKLXUIJKP-FQEVSTJZSA-N 1 0 355.526 3.617 50 0 FHAARO CCC(CC)[NH+]1CCN(Cc2cc(Br)ccc2OC)CC1 ZINC000019359862 211218829 /nfs/dbraw/zinc/21/88/29/211218829.db2.gz UKKHHTGNMLDCRF-UHFFFAOYSA-N 1 0 355.320 3.764 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCC(=O)c2cccs2)cc1 ZINC000016779866 211170091 /nfs/dbraw/zinc/17/00/91/211170091.db2.gz MSSFYKXPMYEZLY-UHFFFAOYSA-N 1 0 358.507 3.869 50 0 FHAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccccc2C)cc1 ZINC000016339216 211159424 /nfs/dbraw/zinc/15/94/24/211159424.db2.gz KSOONMPBDVQXJE-NRFANRHFSA-N 1 0 352.478 3.799 50 0 FHAARO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000016607341 211164836 /nfs/dbraw/zinc/16/48/36/211164836.db2.gz MYEFCLCHELAEHD-UHFFFAOYSA-N 1 0 356.441 3.993 50 0 FHAARO O=C(c1ccc(Br)s1)N1CC[NH+](C2CCCCC2)CC1 ZINC000016604646 211164889 /nfs/dbraw/zinc/16/48/89/211164889.db2.gz KNZKQKNPWPEYII-UHFFFAOYSA-N 1 0 357.317 3.601 50 0 FHAARO Cc1cccc(C[NH+]2CCC(CNC(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000016622070 211164758 /nfs/dbraw/zinc/16/47/58/211164758.db2.gz SKANDUSJGOYGJP-UHFFFAOYSA-N 1 0 369.484 3.846 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+]2CCCCC2)o1 ZINC000015860193 211148230 /nfs/dbraw/zinc/14/82/30/211148230.db2.gz SXKVIUOSBTXLFI-HXUWFJFHSA-N 1 0 370.493 3.927 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+]2CCCCC2)o1 ZINC000015860194 211148267 /nfs/dbraw/zinc/14/82/67/211148267.db2.gz SXKVIUOSBTXLFI-FQEVSTJZSA-N 1 0 370.493 3.927 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+]2CCCC2)o1 ZINC000015860250 211147528 /nfs/dbraw/zinc/14/75/28/211147528.db2.gz PQGMUTPPMAYKNG-IBGZPJMESA-N 1 0 356.466 3.537 50 0 FHAARO O=C(COc1ccccc1Cl)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015860029 211147417 /nfs/dbraw/zinc/14/74/17/211147417.db2.gz LLJWBSVPIAGLTM-MRXNPFEDSA-N 1 0 362.857 3.655 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)[NH+]2CCCC2)o1 ZINC000015860253 211147332 /nfs/dbraw/zinc/14/73/32/211147332.db2.gz JMOFIIZPZZTLFV-GOSISDBHSA-N 1 0 356.466 3.537 50 0 FHAARO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1C ZINC000015831719 211145269 /nfs/dbraw/zinc/14/52/69/211145269.db2.gz SYAQIVGQXPNNHM-FQEVSTJZSA-N 1 0 351.494 3.990 50 0 FHAARO OC[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)C1 ZINC000016046981 211153407 /nfs/dbraw/zinc/15/34/07/211153407.db2.gz NPQVTGVRQDCXKS-BFUOFWGJSA-N 1 0 363.454 3.699 50 0 FHAARO CC[C@H](C)[N@H+](CCNC(=O)Cc1noc2ccc(C)cc21)Cc1ccco1 ZINC000015675142 211135278 /nfs/dbraw/zinc/13/52/78/211135278.db2.gz JSDRBGILVDKHML-INIZCTEOSA-N 1 0 369.465 3.689 50 0 FHAARO COc1cc(C[N@@H+]2CCC[C@H](Nc3cccc(F)c3)C2)cc(OC)c1O ZINC000015074845 211119260 /nfs/dbraw/zinc/11/92/60/211119260.db2.gz QUKKPORRYITWGA-KRWDZBQOSA-N 1 0 360.429 3.625 50 0 FHAARO O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000015072874 211118951 /nfs/dbraw/zinc/11/89/51/211118951.db2.gz OHIGGIXSAMSZFB-GOSISDBHSA-N 1 0 364.493 3.879 50 0 FHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C1CCCC1 ZINC000014967793 211109249 /nfs/dbraw/zinc/10/92/49/211109249.db2.gz GCHUZGIGOIRLLI-FQEVSTJZSA-N 1 0 372.553 3.988 50 0 FHAARO COCC[N@H+](Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C)C(C)C ZINC000014967733 211109074 /nfs/dbraw/zinc/10/90/74/211109074.db2.gz DIVITEBBGZLLEG-UHFFFAOYSA-N 1 0 366.845 3.889 50 0 FHAARO Cc1ccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c(C)c1 ZINC000014887534 211104495 /nfs/dbraw/zinc/10/44/95/211104495.db2.gz DNQMLUABYZTVNX-UHFFFAOYSA-N 1 0 360.505 3.738 50 0 FHAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]C1CCCCC1)C2 ZINC000014538211 211095383 /nfs/dbraw/zinc/09/53/83/211095383.db2.gz BJEXADQPXYEGNP-SFHVURJKSA-N 1 0 372.557 3.555 50 0 FHAARO O=S(=O)(/C=C/c1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000014187479 211083622 /nfs/dbraw/zinc/08/36/22/211083622.db2.gz VJVTYIZAZGNTEE-DTQAZKPQSA-N 1 0 370.518 3.763 50 0 FHAARO Cc1ccsc1C[N@H+](C)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000014136427 211077574 /nfs/dbraw/zinc/07/75/74/211077574.db2.gz KLPGVVULAQIUIQ-UHFFFAOYSA-N 1 0 371.506 3.644 50 0 FHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc2ccccc2n1 ZINC000014071433 211070572 /nfs/dbraw/zinc/07/05/72/211070572.db2.gz SLJANTNMDZWMEC-PGRDOPGGSA-N 1 0 357.457 3.991 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000014013781 211067684 /nfs/dbraw/zinc/06/76/84/211067684.db2.gz HDPLLIKWHQVKRA-UHFFFAOYSA-N 1 0 356.491 3.910 50 0 FHAARO O=C1CCCN1CCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000013727505 211054389 /nfs/dbraw/zinc/05/43/89/211054389.db2.gz ZMRHMTLVSBNPHU-UHFFFAOYSA-N 1 0 356.441 3.507 50 0 FHAARO CC[NH+]1CCC2(CC1)OCCN2C(=O)c1oc2c(ccc(C)c2C)c1C ZINC000013721863 211052536 /nfs/dbraw/zinc/05/25/36/211052536.db2.gz FKAAUPOCFGSPRZ-UHFFFAOYSA-N 1 0 356.466 3.642 50 0 FHAARO Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000019536154 220268584 /nfs/dbraw/zinc/26/85/84/220268584.db2.gz SEWOAUWYCBHBIJ-UHFFFAOYSA-N 1 0 363.274 3.906 50 0 FHAARO O=C(COc1ccc2ccccc2c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013003768 211019611 /nfs/dbraw/zinc/01/96/11/211019611.db2.gz BHXHPWTXTZUJNB-UHFFFAOYSA-N 1 0 374.484 3.999 50 0 FHAARO COc1ccccc1C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012974284 211013383 /nfs/dbraw/zinc/01/33/83/211013383.db2.gz CCFGWBBPPOMGGP-UHFFFAOYSA-N 1 0 367.445 3.561 50 0 FHAARO CC1(C)CNC(SCC(=O)N[C@H](c2cccs2)c2ccccc2)=[NH+]C1 ZINC000012766248 210989637 /nfs/dbraw/zinc/98/96/37/210989637.db2.gz JXCSRKIDLLDPQP-KRWDZBQOSA-N 1 0 373.547 3.672 50 0 FHAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCCc2ccccc2)cc1 ZINC000011786416 210893839 /nfs/dbraw/zinc/89/38/39/210893839.db2.gz JGNAOTBIZKUCBY-OAQYLSRUSA-N 1 0 366.505 3.799 50 0 FHAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1Br ZINC000004872387 210574662 /nfs/dbraw/zinc/57/46/62/210574662.db2.gz PMZBYYOEWUUODT-XJKSGUPXSA-N 1 0 352.272 3.870 50 0 FHAARO COc1cccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2ccco2)c1 ZINC000004193233 210516334 /nfs/dbraw/zinc/51/63/34/210516334.db2.gz ZSEXFSSEEPKDLT-UHFFFAOYSA-N 1 0 373.522 3.973 50 0 FHAARO CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000001850151 210373573 /nfs/dbraw/zinc/37/35/73/210373573.db2.gz JEFVHLMGRUJLET-NRFANRHFSA-N 1 0 352.478 3.628 50 0 in-man FHAARO CC[NH+](CC)C[C@H](C)[C@H](C)OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001841035 210373245 /nfs/dbraw/zinc/37/32/45/210373245.db2.gz FYKBYTUHWXJHBK-OALUTQOASA-N 1 0 369.505 3.832 50 0 FHAARO Cc1ncc2c(c1-c1noc(-c3ccc([C@@H]4CCCO4)s3)n1)CC[NH2+]C2 ZINC000019868097 220302850 /nfs/dbraw/zinc/30/28/50/220302850.db2.gz ZIHRCJZGDBQGEO-AWEZNQCLSA-N 1 0 368.462 3.666 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccc3ccccc3c2)[NH+](C)C)cc1 ZINC000010328854 210356753 /nfs/dbraw/zinc/35/67/53/210356753.db2.gz POAXYOITRRCJAG-QFIPXVFZSA-N 1 0 362.473 3.946 50 0 FHAARO CCc1ccc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)cc1 ZINC000001179413 210330536 /nfs/dbraw/zinc/33/05/36/210330536.db2.gz ROIYADKPVYWGOL-UHFFFAOYSA-N 1 0 350.506 3.820 50 0 FHAARO COc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1 ZINC000001179506 210330147 /nfs/dbraw/zinc/33/01/47/210330147.db2.gz RQAHVSMKEALUTG-UHFFFAOYSA-N 1 0 352.478 3.532 50 0 FHAARO CC1(C)Cc2cccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2O1 ZINC000001025686 210302988 /nfs/dbraw/zinc/30/29/88/210302988.db2.gz PIXSROUTWPTRIJ-UHFFFAOYSA-N 1 0 364.489 3.795 50 0 FHAARO COc1cccc(-c2c[nH+]c(NCc3cc(OC)ccc3OC)n2C)c1 ZINC000000819133 210276206 /nfs/dbraw/zinc/27/62/06/210276206.db2.gz BHZQBHOFMVIISZ-UHFFFAOYSA-N 1 0 353.422 3.725 50 0 FHAARO CN(C)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000022075437 220376539 /nfs/dbraw/zinc/37/65/39/220376539.db2.gz DENGAOJHCDVQCM-UHFFFAOYSA-N 1 0 363.299 3.679 50 0 FHAARO COc1ccccc1CC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000022787437 220399484 /nfs/dbraw/zinc/39/94/84/220399484.db2.gz GQMFKXBLOAYRAM-UHFFFAOYSA-N 1 0 364.239 3.519 50 0 FHAARO CC(C)c1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000048780299 221014657 /nfs/dbraw/zinc/01/46/57/221014657.db2.gz BGMNXNZJEONVAW-MRXNPFEDSA-N 1 0 360.523 3.911 50 0 FHAARO O=C(C[NH2+]CCOc1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000049581035 221026262 /nfs/dbraw/zinc/02/62/62/221026262.db2.gz OUTJYUANZZEMQW-UHFFFAOYSA-N 1 0 360.457 3.561 50 0 FHAARO Fc1cccc(N[C@@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)c1 ZINC000055243153 221062773 /nfs/dbraw/zinc/06/27/73/221062773.db2.gz ZRMYVGCTFKWYIL-QGZVFWFLSA-N 1 0 360.502 3.959 50 0 FHAARO CCCC(=O)Nc1cccc(C(=O)NCCCC[NH+]2CCCCCC2)c1 ZINC000055242501 221063099 /nfs/dbraw/zinc/06/30/99/221063099.db2.gz VBNJQALBGYEZDV-UHFFFAOYSA-N 1 0 359.514 3.811 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000053990194 221049374 /nfs/dbraw/zinc/04/93/74/221049374.db2.gz AXRCXBAHMQDOGZ-UHFFFAOYSA-N 1 0 364.276 3.783 50 0 FHAARO O=C(NCCC[NH+]1CCCC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967960 221159293 /nfs/dbraw/zinc/15/92/93/221159293.db2.gz YLZRLOGVQPVNJC-UHFFFAOYSA-N 1 0 363.461 3.634 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967896 221159922 /nfs/dbraw/zinc/15/99/22/221159922.db2.gz ZBDDIYKKUDYXPW-GOSISDBHSA-N 1 0 363.461 3.633 50 0 FHAARO C[N@H+](Cc1nc(-c2ccc(N3CCCCC3)nc2)no1)C1CCCCC1 ZINC000065215927 221181048 /nfs/dbraw/zinc/18/10/48/221181048.db2.gz PJFIANRCRKHANV-UHFFFAOYSA-N 1 0 355.486 3.886 50 0 FHAARO CCOC(=O)N1CCC([NH2+][C@H](c2ccncc2)c2ccc(C)cc2)CC1 ZINC000065370111 221203982 /nfs/dbraw/zinc/20/39/82/221203982.db2.gz NXOXSEWUQCUHEL-FQEVSTJZSA-N 1 0 353.466 3.690 50 0 FHAARO CC(C)=Cc1c(-c2ccccc2)ncn1C(C)(C)C[NH+]1CCN(C)CC1 ZINC000065371809 221204676 /nfs/dbraw/zinc/20/46/76/221204676.db2.gz STXPMIAAGYUPJS-UHFFFAOYSA-N 1 0 352.526 3.956 50 0 FHAARO O=c1c2c3c(sc2ncn1C1c2ccccc2-c2ccccc21)C[NH2+]CC3 ZINC000065373359 221205733 /nfs/dbraw/zinc/20/57/33/221205733.db2.gz ZTYXHXFLHCTGHN-UHFFFAOYSA-N 1 0 371.465 3.722 50 0 FHAARO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(CCO)cc3)cc2)C1 ZINC000065381571 221207433 /nfs/dbraw/zinc/20/74/33/221207433.db2.gz SPBUAKQJEDOAQT-QGZVFWFLSA-N 1 0 352.478 3.706 50 0 FHAARO Cc1c(CO)cccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000065403598 221213734 /nfs/dbraw/zinc/21/37/34/221213734.db2.gz ZRWRJIAWUOILFQ-INIZCTEOSA-N 1 0 352.478 3.972 50 0 FHAARO O=C(Nc1nncs1)c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000065423065 221217576 /nfs/dbraw/zinc/21/75/76/221217576.db2.gz XNUKQNYCFFGINX-KRWDZBQOSA-N 1 0 365.462 3.523 50 0 FHAARO C[N@@H+](Cc1cccc(C(=O)Nc2cccc(F)c2F)c1)C[C@H]1CCCO1 ZINC000065452286 221219876 /nfs/dbraw/zinc/21/98/76/221219876.db2.gz ZDCWDIRDCTWKEI-MRXNPFEDSA-N 1 0 360.404 3.828 50 0 FHAARO O=C(Nc1nccc2ccccc21)c1ccc(C[N@@H+]2CCCOCC2)cc1 ZINC000065456313 221221469 /nfs/dbraw/zinc/22/14/69/221221469.db2.gz MFMASHPULSSIHI-UHFFFAOYSA-N 1 0 361.445 3.709 50 0 FHAARO CN(Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1)C[C@H]1CCC[NH2+]C1 ZINC000065502040 221226629 /nfs/dbraw/zinc/22/66/29/221226629.db2.gz SOWWTBYRCOVKGH-INIZCTEOSA-N 1 0 373.447 3.649 50 0 FHAARO CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000065497560 221226849 /nfs/dbraw/zinc/22/68/49/221226849.db2.gz ZUXCQUVTICOGMY-AZUAARDMSA-N 1 0 357.542 3.530 50 0 FHAARO CN(Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000065502034 221227283 /nfs/dbraw/zinc/22/72/83/221227283.db2.gz SOWWTBYRCOVKGH-MRXNPFEDSA-N 1 0 373.447 3.649 50 0 FHAARO Cc1ccccc1N1CC[N@H+](C2CCN(Cc3ccccn3)CC2)[C@H](C)C1 ZINC000065509079 221228784 /nfs/dbraw/zinc/22/87/84/221228784.db2.gz LDTSFISBNZVSTG-HXUWFJFHSA-N 1 0 364.537 3.565 50 0 FHAARO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCc2sccc2C1 ZINC000065513944 221230231 /nfs/dbraw/zinc/23/02/31/221230231.db2.gz KIDAXZSOYVGJDP-QGZVFWFLSA-N 1 0 358.482 3.684 50 0 FHAARO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000065535572 221232676 /nfs/dbraw/zinc/23/26/76/221232676.db2.gz YMZYVMLDJWJSIH-MRXNPFEDSA-N 1 0 360.502 3.523 50 0 FHAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000067654499 221266763 /nfs/dbraw/zinc/26/67/63/221266763.db2.gz VWKKZYZJRJDXCV-KRWDZBQOSA-N 1 0 373.884 3.754 50 0 FHAARO O=C([C@@H]1CCC[NH2+]CC1)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067491350 221257021 /nfs/dbraw/zinc/25/70/21/221257021.db2.gz PKTGJIJITDVQLG-QGZVFWFLSA-N 1 0 374.488 3.504 50 0 FHAARO C[C@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)Cn1ccnc1 ZINC000067500445 221257376 /nfs/dbraw/zinc/25/73/76/221257376.db2.gz SNTAFZVJIOKIIC-MRXNPFEDSA-N 1 0 370.884 3.936 50 0 FHAARO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](CCCn2cccn2)CCO3)s1 ZINC000067490781 221257859 /nfs/dbraw/zinc/25/78/59/221257859.db2.gz DEJTVJYJZBDBCF-UHFFFAOYSA-N 1 0 369.490 3.910 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000067515216 221258556 /nfs/dbraw/zinc/25/85/56/221258556.db2.gz YSDNKQSGTJNAQT-HXUWFJFHSA-N 1 0 366.509 3.806 50 0 FHAARO COc1ccccc1-c1ccc(N2CCC([NH+]3CCCCC3)CC2)nn1 ZINC000067740981 221278905 /nfs/dbraw/zinc/27/89/05/221278905.db2.gz UTKDSPLWDPADKG-UHFFFAOYSA-N 1 0 352.482 3.607 50 0 FHAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]C3CCCCC3)C2=O)cc1 ZINC000067675154 221269235 /nfs/dbraw/zinc/26/92/35/221269235.db2.gz DQAWPVWLTGRNPC-QFIPXVFZSA-N 1 0 358.526 3.586 50 0 FHAARO C[NH2+]C(C)(C)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067696707 221273177 /nfs/dbraw/zinc/27/31/77/221273177.db2.gz VXPPOPYUCBHKJV-UHFFFAOYSA-N 1 0 367.371 3.507 50 0 FHAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH+]3CCCCCC3)C2=O)cc1 ZINC000067817134 221288757 /nfs/dbraw/zinc/28/87/57/221288757.db2.gz KVMCJJKSVKUYRE-QFIPXVFZSA-N 1 0 358.526 3.540 50 0 FHAARO COc1ccc(-c2nc(C[NH+]3CCC([C@@H](C)O)CC3)c(C)o2)c(OC)c1C ZINC000067803309 221287281 /nfs/dbraw/zinc/28/72/81/221287281.db2.gz ZQKOTKYGIPGWSW-CQSZACIVSA-N 1 0 374.481 3.568 50 0 FHAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C1CC[NH+](C)CC1)CCO2 ZINC000067833641 221291207 /nfs/dbraw/zinc/29/12/07/221291207.db2.gz JXUSVGHYZAQDAU-UHFFFAOYSA-N 1 0 352.478 3.656 50 0 FHAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccccc3C(C)C)cnn2c1 ZINC000067907923 221304435 /nfs/dbraw/zinc/30/44/35/221304435.db2.gz UUGQIDANRHQCSL-UHFFFAOYSA-N 1 0 365.481 3.947 50 0 FHAARO CC(C)C[NH2+]Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1 ZINC000068197070 221314652 /nfs/dbraw/zinc/31/46/52/221314652.db2.gz OWVIKBRKPCTDEP-UHFFFAOYSA-N 1 0 372.534 3.884 50 0 investigational FHAARO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCC[C@H](C(C)(C)O)C3)c(C)o2)c1 ZINC000071422450 221348057 /nfs/dbraw/zinc/34/80/57/221348057.db2.gz KLYNTILUAOVLTO-HNNXBMFYSA-N 1 0 374.481 3.650 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2cccnc2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071614910 221352277 /nfs/dbraw/zinc/35/22/77/221352277.db2.gz DGRKAEMEGGKCSW-FQEVSTJZSA-N 1 0 355.457 3.593 50 0 FHAARO NC(=O)COc1cccc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)c1 ZINC000071738521 221357190 /nfs/dbraw/zinc/35/71/90/221357190.db2.gz WTPLQLLNFMZXSR-GOSISDBHSA-N 1 0 370.468 3.535 50 0 FHAARO COc1ccc(-c2nc(CN3CC[NH+](CC(C)C)CC3)c(C)o2)c(F)c1 ZINC000071749353 221361334 /nfs/dbraw/zinc/36/13/34/221361334.db2.gz XOTVHHCBOQYPAU-UHFFFAOYSA-N 1 0 361.461 3.571 50 0 FHAARO COc1c(F)ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c1F ZINC000071750675 221362670 /nfs/dbraw/zinc/36/26/70/221362670.db2.gz VBTDWCKHJUAPEB-QGZVFWFLSA-N 1 0 366.452 3.556 50 0 FHAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3cc(F)cc(F)c3)nc2)C1 ZINC000071752049 221363343 /nfs/dbraw/zinc/36/33/43/221363343.db2.gz FMGYMKYHMRHEKE-OAHLLOKOSA-N 1 0 373.447 3.735 50 0 FHAARO CS(=O)(=O)c1ccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)cc1 ZINC000071758922 221366367 /nfs/dbraw/zinc/36/63/67/221366367.db2.gz DOBBGHNWWWWOSK-GOSISDBHSA-N 1 0 359.491 3.537 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2cccc3cccnc32)CCC[N@@H+]1CC1CC1 ZINC000071779976 221375023 /nfs/dbraw/zinc/37/50/23/221375023.db2.gz BTPVTYUYKZQFHU-FQEVSTJZSA-N 1 0 351.494 3.817 50 0 FHAARO COC1(c2ccccc2)CCN(C(=O)c2ccccc2[C@H]2CC[NH2+]C2)CC1 ZINC000072143370 221421002 /nfs/dbraw/zinc/42/10/02/221421002.db2.gz GXWGPXCLLBARSU-SFHVURJKSA-N 1 0 364.489 3.541 50 0 FHAARO O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000072144752 221422998 /nfs/dbraw/zinc/42/29/98/221422998.db2.gz CDWUWYBVGLPAHN-IBGZPJMESA-N 1 0 358.485 3.964 50 0 FHAARO Cc1c2cccc(F)c2[nH]c1C(=O)N1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000077303802 132180317 /nfs/dbraw/zinc/18/03/17/132180317.db2.gz LILJQERCFZPWPB-UHFFFAOYSA-N 1 0 366.440 3.590 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)/C=C\c3cccs3)cc2C)CC1 ZINC000096925779 132226495 /nfs/dbraw/zinc/22/64/95/132226495.db2.gz KUOMDAYYTLDVHB-CLFYSBASSA-N 1 0 355.507 3.850 50 0 FHAARO Cc1cc(N2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)cc[nH+]1 ZINC000214962700 132269870 /nfs/dbraw/zinc/26/98/70/132269870.db2.gz HRVQAIIQZVIRMJ-UHFFFAOYSA-N 1 0 351.498 3.550 50 0 FHAARO Fc1ccc(N2CCN(Cc3cc(C[NH+]4CCCC4)cs3)CC2)cc1 ZINC000215801814 132270841 /nfs/dbraw/zinc/27/08/41/132270841.db2.gz RHFSYXAPMFUBHV-UHFFFAOYSA-N 1 0 359.514 3.805 50 0 FHAARO c1cnc(N2CCC[C@H]([NH2+]Cc3ccc4c(c3)Cc3ccccc3-4)C2)nc1 ZINC000015073412 132876575 /nfs/dbraw/zinc/87/65/75/132876575.db2.gz HQTZHUSFJPDLBC-FQEVSTJZSA-N 1 0 356.473 3.806 50 0 FHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C/c1c(F)cccc1F ZINC000040106467 136119321 /nfs/dbraw/zinc/11/93/21/136119321.db2.gz FMHJPHLTOQWKKV-VQHVLOKHSA-N 1 0 371.431 3.677 50 0 FHAARO C[N@H+](CCn1cccn1)C1CCN(c2cccc(-c3cscn3)c2)CC1 ZINC000048087864 136122888 /nfs/dbraw/zinc/12/28/88/136122888.db2.gz NMGLLTPKYCTTFF-UHFFFAOYSA-N 1 0 367.522 3.607 50 0 FHAARO c1cc2nc(-c3ccccc3)cc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2n1 ZINC000072470641 136149017 /nfs/dbraw/zinc/14/90/17/136149017.db2.gz RBTQUXAUAMWVGW-HXUWFJFHSA-N 1 0 355.445 3.547 50 0 FHAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)C2CCCC2)CC1 ZINC000008711045 136151968 /nfs/dbraw/zinc/15/19/68/136151968.db2.gz ZTCLETDIWCPIEX-UHFFFAOYSA-N 1 0 355.404 3.586 50 0 FHAARO C[C@@H]([NH2+]CC1(c2ccccc2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000079015272 221684174 /nfs/dbraw/zinc/68/41/74/221684174.db2.gz LBNOIYPUMFXBDE-DENIHFKCSA-N 1 0 350.506 3.770 50 0 FHAARO O=C1CC2(CN1Cc1ccc(F)c(F)c1)CC[NH+](Cc1ccco1)CC2 ZINC000091410550 221754701 /nfs/dbraw/zinc/75/47/01/221754701.db2.gz PQVMNUWNOHDNIF-UHFFFAOYSA-N 1 0 360.404 3.573 50 0 FHAARO CSCc1nc(CNC(=O)C2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000095359447 221861090 /nfs/dbraw/zinc/86/10/90/221861090.db2.gz BGURPUDVPBLURB-UHFFFAOYSA-N 1 0 367.584 3.667 50 0 FHAARO Cc1ccc([C@@H]2CN(C(=O)c3ccco3)C[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000096281436 222109247 /nfs/dbraw/zinc/10/92/47/222109247.db2.gz XMZDBDRLASBNSZ-PMACEKPBSA-N 1 0 352.478 3.930 50 0 FHAARO CC(C)c1nc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)no1 ZINC000096136120 222039791 /nfs/dbraw/zinc/03/97/91/222039791.db2.gz QCHPEAGZCDNMKA-SFHVURJKSA-N 1 0 354.498 3.899 50 0 FHAARO C[NH2+][C@@H](C)c1nc(-c2csc(C)n2)nn1-c1ccc2nc(C)sc2c1 ZINC000096151723 222054145 /nfs/dbraw/zinc/05/41/45/222054145.db2.gz UFYMOSBGHCVIBW-VIFPVBQESA-N 1 0 370.507 3.898 50 0 FHAARO Cc1ccc(/C=C\C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c(C)c1 ZINC000096930896 222142883 /nfs/dbraw/zinc/14/28/83/222142883.db2.gz ZUVHKUVDJVBYNW-GMAFFVFYSA-N 1 0 364.489 3.506 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1ccc(OC)cc1)c1ccccc1 ZINC000096943750 222145143 /nfs/dbraw/zinc/14/51/43/222145143.db2.gz FRGJPJSKAOOHCX-XHVGKJTDSA-N 1 0 352.478 3.908 50 0 FHAARO Cc1ccccc1OC[C@H]1CCCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000097076704 222156428 /nfs/dbraw/zinc/15/64/28/222156428.db2.gz JTAJBZZCSUFANY-SFHVURJKSA-N 1 0 353.466 3.777 50 0 FHAARO Cc1ccn(-c2ccccc2NC(=O)NCC[N@@H+](C)C2CCCCC2)n1 ZINC000097164738 222165626 /nfs/dbraw/zinc/16/56/26/222165626.db2.gz MVQVFAVYXUJKBR-UHFFFAOYSA-N 1 0 355.486 3.567 50 0 FHAARO CC[C@@H]1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000097165808 222166611 /nfs/dbraw/zinc/16/66/11/222166611.db2.gz VGCWVKRFARFXNT-DYVFJYSZSA-N 1 0 365.930 3.935 50 0 FHAARO CCc1[nH]nc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)c1C ZINC000097173378 222167804 /nfs/dbraw/zinc/16/78/04/222167804.db2.gz OUHOLSXXSDGKNT-IBGZPJMESA-N 1 0 354.498 3.628 50 0 FHAARO CCc1cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)no1 ZINC000097360165 222177395 /nfs/dbraw/zinc/17/73/95/222177395.db2.gz AMXBYRRDTLMGJZ-HXUWFJFHSA-N 1 0 355.482 3.748 50 0 FHAARO OCCCC[NH+]1CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000097495253 222185787 /nfs/dbraw/zinc/18/57/87/222185787.db2.gz FNJSKHLJFMWBQI-UHFFFAOYSA-N 1 0 358.913 3.897 50 0 FHAARO O=C(CCc1ccncc1)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000097636585 222201276 /nfs/dbraw/zinc/20/12/76/222201276.db2.gz JPASWQAQSASZPJ-NRFANRHFSA-N 1 0 351.494 3.748 50 0 FHAARO Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](Cn3ccnc3)C2)cc1 ZINC000097729553 222207137 /nfs/dbraw/zinc/20/71/37/222207137.db2.gz UHHYJXDORMYOFC-OAHLLOKOSA-N 1 0 355.873 3.839 50 0 FHAARO O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000097717259 222207311 /nfs/dbraw/zinc/20/73/11/222207311.db2.gz FQBPVDPIYSFHQB-UHFFFAOYSA-N 1 0 359.417 3.906 50 0 FHAARO C/C=C\c1ccc(OC[C@H](O)C[N@H+](C)Cc2sccc2C)c(OC)c1 ZINC000098053917 222222785 /nfs/dbraw/zinc/22/27/85/222222785.db2.gz DHSBVPREELRXGV-KEGWNNHHSA-N 1 0 361.507 3.970 50 0 FHAARO CCOc1ccc(CN2CC[N@H+](Cc3ccc(C)s3)C[C@H]2CCO)cc1 ZINC000104528032 222359587 /nfs/dbraw/zinc/35/95/87/222359587.db2.gz VXPMMMFXVZFOIM-LJQANCHMSA-N 1 0 374.550 3.524 50 0 FHAARO OCC[C@H]1CN(Cc2cccc3cccnc32)CC[N@@H+]1CC1CCCCC1 ZINC000107100630 222389908 /nfs/dbraw/zinc/38/99/08/222389908.db2.gz XMAQDSUSYYXBRH-QFIPXVFZSA-N 1 0 367.537 3.684 50 0 FHAARO COc1ccc(C[N@H+](CC(=O)NCC(C)C)[C@@H](C)Cc2cccs2)cc1 ZINC000024892312 263387808 /nfs/dbraw/zinc/38/78/08/263387808.db2.gz HNTLBVTZGHBHGD-KRWDZBQOSA-N 1 0 374.550 3.962 50 0 FHAARO Cn1c(SCc2cc(F)cc(C(F)(F)F)c2)nnc1C1CC[NH2+]CC1 ZINC000426404196 263577662 /nfs/dbraw/zinc/57/76/62/263577662.db2.gz GWNXNAQOQRDZEE-UHFFFAOYSA-N 1 0 374.407 3.732 50 0 FHAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)Nc1ccnn1C1CCCC1 ZINC000299763213 534341219 /nfs/dbraw/zinc/34/12/19/534341219.db2.gz ZACILBWVPULWBR-SFHVURJKSA-N 1 0 367.497 3.609 50 0 FHAARO CC(=O)c1ccc(NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)nc1 ZINC000082121557 518386317 /nfs/dbraw/zinc/38/63/17/518386317.db2.gz CSCNLOJHWLOQKQ-UHFFFAOYSA-N 1 0 367.497 3.631 50 0 FHAARO CCCOc1c(Cl)cc(C[NH2+]CCCn2ccnc2)cc1OCC ZINC000020932136 520294979 /nfs/dbraw/zinc/29/49/79/520294979.db2.gz SGGSJNIVAIGUQU-UHFFFAOYSA-N 1 0 351.878 3.904 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)n2cnc3ccccc32)cc1 ZINC000089968999 520749864 /nfs/dbraw/zinc/74/98/64/520749864.db2.gz QJPXIANJMPZUHN-KRWDZBQOSA-N 1 0 364.493 3.756 50 0 FHAARO CCOc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000252444246 521179411 /nfs/dbraw/zinc/17/94/11/521179411.db2.gz YAYSSCCEOUOSQC-QINHECLXSA-N 1 0 359.466 3.673 50 0 FHAARO CCCc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)n(C)n1 ZINC000082146043 521360084 /nfs/dbraw/zinc/36/00/84/521360084.db2.gz HSWOEVXKQOLJDT-NRFANRHFSA-N 1 0 368.525 3.720 50 0 FHAARO CC[NH+]1CCN(CCCOc2ccc(Br)cc2C(C)C)CC1 ZINC000020406382 521682086 /nfs/dbraw/zinc/68/20/86/521682086.db2.gz YMOSPFOSJIHZQC-UHFFFAOYSA-N 1 0 369.347 3.979 50 0 FHAARO CCS[C@@H]1CC[C@]1(O)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000241446944 521727936 /nfs/dbraw/zinc/72/79/36/521727936.db2.gz NPWMIPFEYQTNMD-XHSDSOJGSA-N 1 0 374.319 3.812 50 0 FHAARO C[NH2+]C[C@H]1CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000159034262 522081737 /nfs/dbraw/zinc/08/17/37/522081737.db2.gz BRJORFZPNNMRAX-CYBMUJFWSA-N 1 0 359.297 3.610 50 0 FHAARO COc1ccc(/C=C/C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1 ZINC000091644527 523404714 /nfs/dbraw/zinc/40/47/14/523404714.db2.gz BFXAZNMZQKECHH-WOFSGTTBSA-N 1 0 363.505 3.700 50 0 FHAARO COCC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(Cl)c(C)c(Cl)c2)C1 ZINC000091665132 523830376 /nfs/dbraw/zinc/83/03/76/523830376.db2.gz IOTCDBDOUHHABF-CQSZACIVSA-N 1 0 373.324 3.732 50 0 FHAARO CC[C@H](C)C(=O)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000019745334 523831613 /nfs/dbraw/zinc/83/16/13/523831613.db2.gz TWNPTKFYBPJEQQ-UWJYYQICSA-N 1 0 352.478 3.785 50 0 FHAARO COc1ccc(C[NH2+]C[C@@](O)(c2ccccc2)c2ccc(F)cc2)cc1 ZINC000020365948 524071925 /nfs/dbraw/zinc/07/19/25/524071925.db2.gz VQCOJXZDTNIMJW-JOCHJYFZSA-N 1 0 351.421 3.860 50 0 FHAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cnoc2-c2ccccc2)s1 ZINC000216369554 524406505 /nfs/dbraw/zinc/40/65/05/524406505.db2.gz KDLGPPZZJGFWAN-UHFFFAOYSA-N 1 0 369.490 3.916 50 0 FHAARO Cc1ccc(C[N@@H+]2CCN(Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)cc1 ZINC000020452438 524457384 /nfs/dbraw/zinc/45/73/84/524457384.db2.gz VROSALOXWHNWSE-QFIPXVFZSA-N 1 0 363.505 3.545 50 0 FHAARO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)o1 ZINC000020861976 524500107 /nfs/dbraw/zinc/50/01/07/524500107.db2.gz OVTIHCIEKQCMAV-SFHVURJKSA-N 1 0 366.505 3.864 50 0 FHAARO Cc1cc(C)n(CCC[N@@H+](C)[C@H]2CCCN(CCCc3ccccc3)C2)n1 ZINC000020541222 524517029 /nfs/dbraw/zinc/51/70/29/524517029.db2.gz VLQRPTWYUGEANO-QHCPKHFHSA-N 1 0 368.569 3.919 50 0 FHAARO COc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020851327 524612715 /nfs/dbraw/zinc/61/27/15/524612715.db2.gz DINASUIXTZQEQB-UHFFFAOYSA-N 1 0 371.456 3.868 50 0 FHAARO Cc1ccccc1CNC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091593232 525157473 /nfs/dbraw/zinc/15/74/73/525157473.db2.gz UEOPYHDLXSUEFN-RBBKRZOGSA-N 1 0 363.505 3.801 50 0 FHAARO COc1ccc2nc(NCc3ccc(OC)c(C[NH+](C)C)c3)sc2c1 ZINC000019791408 525677627 /nfs/dbraw/zinc/67/76/27/525677627.db2.gz FFECKDVHZPGSHN-UHFFFAOYSA-N 1 0 357.479 3.987 50 0 FHAARO C[C@@H]1c2cccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2O[C@H]1C ZINC000252444150 525716388 /nfs/dbraw/zinc/71/63/88/525716388.db2.gz DOEWPCLDVJVGFT-BQFCYCMXSA-N 1 0 350.462 3.575 50 0 FHAARO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2nccn2CC2CCC2)CC1 ZINC000091656375 525963290 /nfs/dbraw/zinc/96/32/90/525963290.db2.gz IMOQMNMPBXTHSF-GOSISDBHSA-N 1 0 372.557 3.654 50 0 FHAARO Cc1cc(=O)[nH]c(-c2ccc(C[N@H+](C)CCn3ccc4ccccc43)cc2)n1 ZINC000020138512 526117417 /nfs/dbraw/zinc/11/74/17/526117417.db2.gz WSLQBYAWVHNAHZ-UHFFFAOYSA-N 1 0 372.472 3.832 50 0 FHAARO O=C(CCCc1ccccc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091616930 526459090 /nfs/dbraw/zinc/45/90/90/526459090.db2.gz HUYQLPCRRYAACB-FCHUYYIVSA-N 1 0 363.505 3.527 50 0 FHAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1cccc(Cl)c1 ZINC000082138290 526645581 /nfs/dbraw/zinc/64/55/81/526645581.db2.gz OVBVUMDYGATEPZ-UHFFFAOYSA-N 1 0 372.900 3.615 50 0 FHAARO Clc1ccc([C@@H]2CCC[N@H+](Cc3nc(-c4cnccn4)no3)C2)cc1 ZINC000020911825 526961456 /nfs/dbraw/zinc/96/14/56/526961456.db2.gz KYWAOEWYFJTQCE-CQSZACIVSA-N 1 0 355.829 3.560 50 0 FHAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000178575847 527216829 /nfs/dbraw/zinc/21/68/29/527216829.db2.gz VNGGKTNPLKVUBJ-GXFZAYBSSA-N 1 0 366.305 3.545 50 0 FHAARO Cn1cnnc1[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000089761913 527535213 /nfs/dbraw/zinc/53/52/13/527535213.db2.gz HOIHZVPHOGGZIG-AWEZNQCLSA-N 1 0 357.845 3.503 50 0 FHAARO CC(C)n1nc(C[NH2+]CCc2nc3ccccc3[nH]2)c(-c2ccccc2)n1 ZINC000261492437 528648719 /nfs/dbraw/zinc/64/87/19/528648719.db2.gz XOZAHFRMYOVELG-UHFFFAOYSA-N 1 0 360.465 3.735 50 0 FHAARO CCC[NH+]1CCN(c2ccc(-c3nc(-c4ccc(C)cc4)no3)cn2)CC1 ZINC000064676793 534931480 /nfs/dbraw/zinc/93/14/80/534931480.db2.gz BAZBFHUKGPHICJ-UHFFFAOYSA-N 1 0 363.465 3.639 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1ccc(N2CCCc3ccccc32)s1 ZINC000015732245 535538835 /nfs/dbraw/zinc/53/88/35/535538835.db2.gz AKEDEYUXCLHUGG-UHFFFAOYSA-N 1 0 357.523 3.904 50 0 FHAARO CC[NH+]1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)cnn32)CC1 ZINC000002341495 535743080 /nfs/dbraw/zinc/74/30/80/535743080.db2.gz HLBLZSSGOPDOHF-UHFFFAOYSA-N 1 0 355.873 3.500 50 0 FHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C\c2ccsc2)CC1 ZINC000097996743 536421633 /nfs/dbraw/zinc/42/16/33/536421633.db2.gz DJOWGAHVTBJYAO-DJWKRKHSSA-N 1 0 361.898 3.805 50 0 FHAARO CCOc1cc(Cl)c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1OC ZINC000215228955 568059134 /nfs/dbraw/zinc/05/91/34/568059134.db2.gz LDMSJZIEYFDPJC-CQSZACIVSA-N 1 0 361.873 3.917 50 0 FHAARO CC(C)c1noc(C2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)n1 ZINC000215348623 568065275 /nfs/dbraw/zinc/06/52/75/568065275.db2.gz JGBPIFAUEPRZDX-UHFFFAOYSA-N 1 0 351.454 3.758 50 0 FHAARO CCOc1cc(C[NH+]2CCC(Cn3ccnc3)CC2)c(Cl)cc1OC ZINC000215655203 568082166 /nfs/dbraw/zinc/08/21/66/568082166.db2.gz XXCVJEUVJUUTBP-UHFFFAOYSA-N 1 0 363.889 3.856 50 0 FHAARO Cc1ccc2nc(C)c(C(=O)N3CC[NH+](C4CCSCC4)CC3)cc2c1 ZINC000215776451 568088183 /nfs/dbraw/zinc/08/81/83/568088183.db2.gz GYFDQCOPUWTDLD-UHFFFAOYSA-N 1 0 369.534 3.505 50 0 FHAARO c1cc([C@H]2CCCO2)sc1CN1CC[NH+](C2CCSCC2)CC1 ZINC000215780982 568088430 /nfs/dbraw/zinc/08/84/30/568088430.db2.gz MWOMPCSSWKDZQR-QGZVFWFLSA-N 1 0 352.569 3.613 50 0 FHAARO COc1ccc(-c2ccc(C[NH+]3CCC(O)(c4cccnc4)CC3)o2)cc1 ZINC000215803523 568089652 /nfs/dbraw/zinc/08/96/52/568089652.db2.gz OATRZEIECGYJSG-UHFFFAOYSA-N 1 0 364.445 3.834 50 0 FHAARO Cn1cnnc1Sc1ccc(CN2CCCC[C@H]2c2cccnc2)o1 ZINC000215826987 568091026 /nfs/dbraw/zinc/09/10/26/568091026.db2.gz AKKDLRZSUPKDBT-INIZCTEOSA-N 1 0 355.467 3.682 50 0 FHAARO O=C1CCC2(CC[NH+](Cc3ccccc3OCc3ccccc3)CC2)CN1 ZINC000215880831 568093810 /nfs/dbraw/zinc/09/38/10/568093810.db2.gz VHFDEKZBWNAJOE-UHFFFAOYSA-N 1 0 364.489 3.758 50 0 FHAARO CCN(Cc1cnc(N2CCOCC2)s1)Cc1c(F)cccc1Cl ZINC000215883745 568093906 /nfs/dbraw/zinc/09/39/06/568093906.db2.gz CNCYNHIJMAETLX-UHFFFAOYSA-N 1 0 369.893 3.794 50 0 FHAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2OCc2ccccc2)CC1 ZINC000221296509 568396172 /nfs/dbraw/zinc/39/61/72/568396172.db2.gz GQRWBNMYUNNPOU-IBGZPJMESA-N 1 0 352.478 3.822 50 0 FHAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1csc(C)c1)CC2 ZINC000091808405 570439522 /nfs/dbraw/zinc/43/95/22/570439522.db2.gz RGFMXXOABXBIIN-UHFFFAOYSA-N 1 0 372.538 3.569 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)Nc2ccccc2)C3)cc1 ZINC000091819507 570440040 /nfs/dbraw/zinc/44/00/40/570440040.db2.gz RLRBIXUKBIHXPR-AZUAARDMSA-N 1 0 365.477 3.824 50 0 FHAARO O=C(c1ccc(Cl)c(F)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091848274 570440234 /nfs/dbraw/zinc/44/02/34/570440234.db2.gz IVPSAOAYUGPHIE-DOTOQJQBSA-N 1 0 373.859 3.611 50 0 FHAARO c1cn(Cc2cscn2)c(C2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000091906968 570442021 /nfs/dbraw/zinc/44/20/21/570442021.db2.gz BPJQTHKTXSRHBU-UHFFFAOYSA-N 1 0 368.506 3.646 50 0 FHAARO CC(C)Oc1ccc(C[N@@H+]2CC[C@H](Cc3cccc(CO)c3)C2)cc1CO ZINC000091907529 570442484 /nfs/dbraw/zinc/44/24/84/570442484.db2.gz CEXATUPUFZRWFK-HXUWFJFHSA-N 1 0 369.505 3.523 50 0 FHAARO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](Cc3cccc(CO)c3)C1)CO2 ZINC000092002080 570444942 /nfs/dbraw/zinc/44/49/42/570444942.db2.gz RPGVIRSRXDZIFE-GOSISDBHSA-N 1 0 365.473 3.528 50 0 FHAARO CSc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 ZINC000092028236 570445154 /nfs/dbraw/zinc/44/51/54/570445154.db2.gz MMSPWVJPTFEELB-SJLPKXTDSA-N 1 0 367.518 3.540 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC000092028979 570445453 /nfs/dbraw/zinc/44/54/53/570445453.db2.gz MOFUOUGLUMXZRO-HXUWFJFHSA-N 1 0 351.494 3.747 50 0 FHAARO Cc1ccc(-c2cc(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)[nH]n2)o1 ZINC000092037026 570445601 /nfs/dbraw/zinc/44/56/01/570445601.db2.gz GTTAHRGYAJBTRQ-LJQANCHMSA-N 1 0 364.449 3.545 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cccn3C)CC2)C1 ZINC000092036846 570445630 /nfs/dbraw/zinc/44/56/30/570445630.db2.gz YRQZNCUSENYTBK-FQEVSTJZSA-N 1 0 365.521 3.757 50 0 FHAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[NH2+]C[C@H](C)O ZINC000072713970 570449928 /nfs/dbraw/zinc/44/99/28/570449928.db2.gz SQQVONZWSBTJEN-VIFPVBQESA-N 1 0 362.688 3.670 50 0 FHAARO Cc1nccn1CC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000095364697 570455120 /nfs/dbraw/zinc/45/51/20/570455120.db2.gz LIXSTSINUWVCQI-NRFANRHFSA-N 1 0 368.525 3.560 50 0 FHAARO O=C(NCc1noc(C2CCCC2)n1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095367863 570455442 /nfs/dbraw/zinc/45/54/42/570455442.db2.gz DGNTVRFTIDEBNI-UHFFFAOYSA-N 1 0 368.481 3.643 50 0 FHAARO c1c([C@H]2CCC[NH2+]C2)nnn1CC1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000095375392 570457324 /nfs/dbraw/zinc/45/73/24/570457324.db2.gz ZJCPJNOMSSCVFX-JCYILVPMSA-N 1 0 364.497 3.595 50 0 FHAARO O=C(c1ccc2ncccc2c1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095380213 570458345 /nfs/dbraw/zinc/45/83/45/570458345.db2.gz IOFMILGDGANJAF-DENIHFKCSA-N 1 0 371.484 3.971 50 0 FHAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc4ccccc4n3)C2)N1Cc1ccccc1 ZINC000095382852 570459604 /nfs/dbraw/zinc/45/96/04/570459604.db2.gz ZMZUCWDWFQTNRX-RBBKRZOGSA-N 1 0 371.484 3.858 50 0 FHAARO COCCCCCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095382608 570459620 /nfs/dbraw/zinc/45/96/20/570459620.db2.gz QCOAZGHLQNTYIK-MDNUFGMLSA-N 1 0 370.537 3.590 50 0 FHAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)c1cncc(Cl)c1)CC2 ZINC000095499350 570462778 /nfs/dbraw/zinc/46/27/78/570462778.db2.gz LNEVLKKDUPUNSP-SFHVURJKSA-N 1 0 369.896 3.829 50 0 FHAARO Cc1nc2c(c(N(C)CC[N@H+](C)C3CCCC3)n1)Cc1ccccc1OC2 ZINC000095502128 570463276 /nfs/dbraw/zinc/46/32/76/570463276.db2.gz YEXVTVGVTNCRJF-UHFFFAOYSA-N 1 0 366.509 3.579 50 0 FHAARO CC(C)n1cnnc1[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000095508196 570464687 /nfs/dbraw/zinc/46/46/87/570464687.db2.gz RCNQUQLUIWVUIL-MRXNPFEDSA-N 1 0 370.501 3.728 50 0 FHAARO Cc1nc(C)c(C(=O)N2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)s1 ZINC000095508156 570465041 /nfs/dbraw/zinc/46/50/41/570465041.db2.gz ZMWOMWBEGJSBFX-SFHVURJKSA-N 1 0 369.534 3.854 50 0 FHAARO CC(=O)c1cc(-c2nc(-c3cccnc3)nn2C2CC[NH+](C)CC2)cs1 ZINC000095516376 570466510 /nfs/dbraw/zinc/46/65/10/570466510.db2.gz SOHOZGQHVUTDIH-UHFFFAOYSA-N 1 0 367.478 3.538 50 0 FHAARO CNc1nc(CN2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)cs1 ZINC000095518116 570466988 /nfs/dbraw/zinc/46/69/88/570466988.db2.gz QHMVWEJIZGAHSZ-QGZVFWFLSA-N 1 0 356.539 3.639 50 0 FHAARO Cn1ccc2ccc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+]3CCCC3)cc21 ZINC000095524654 570468354 /nfs/dbraw/zinc/46/83/54/570468354.db2.gz NJPWPLDBPIMWTE-NRFANRHFSA-N 1 0 365.452 3.884 50 0 FHAARO O[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000095527966 570469463 /nfs/dbraw/zinc/46/94/63/570469463.db2.gz PKPPKLMNCMJLJW-HOCLYGCPSA-N 1 0 365.930 3.812 50 0 FHAARO Cc1cccc(C(=O)c2cccc(C[NH+]3CCC4(CC3)OCCO4)c2)c1C ZINC000002515234 570523367 /nfs/dbraw/zinc/52/33/67/570523367.db2.gz BFERJBAFTPQAHB-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO COc1cccc(C[NH+]2CCC(N(C(C)=O)c3ccccc3)CC2)c1OC ZINC000034682477 570531737 /nfs/dbraw/zinc/53/17/37/570531737.db2.gz XUHIHUQUGQZYLD-UHFFFAOYSA-N 1 0 368.477 3.721 50 0 FHAARO CCOc1cc(C[NH2+]CCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000002845655 570536619 /nfs/dbraw/zinc/53/66/19/570536619.db2.gz ZZYCONDCTPBVQF-UHFFFAOYSA-N 1 0 353.821 3.539 50 0 FHAARO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000044126451 570538206 /nfs/dbraw/zinc/53/82/06/570538206.db2.gz CYXDSWPWFYUGPO-HUUCEWRRSA-N 1 0 358.404 3.822 50 0 FHAARO CC(=O)c1cccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000002858450 570538822 /nfs/dbraw/zinc/53/88/22/570538822.db2.gz AVPLJJRGLMEEQW-UHFFFAOYSA-N 1 0 367.518 3.840 50 0 FHAARO CCCOc1ccc(Br)cc1C[NH2+]CCOc1ccccn1 ZINC000113395237 570543888 /nfs/dbraw/zinc/54/38/88/570543888.db2.gz YXYOCSQXCOEBKH-UHFFFAOYSA-N 1 0 365.271 3.802 50 0 FHAARO CCOc1c(Cl)cc(C[NH2+]CCCOc2ccccn2)cc1OC ZINC000113397446 570543937 /nfs/dbraw/zinc/54/39/37/570543937.db2.gz KRUKDFBCEUEGCB-UHFFFAOYSA-N 1 0 350.846 3.701 50 0 FHAARO CCOc1cc(C[NH2+]CCc2nc3ccccc3[nH]2)cc(Cl)c1OC ZINC000113399193 570544510 /nfs/dbraw/zinc/54/45/10/570544510.db2.gz SDGUHNQMBXQCNI-UHFFFAOYSA-N 1 0 359.857 3.956 50 0 FHAARO CCC[NH+]1CCN(C(=O)Cn2c(-c3cccs3)cc3ccccc32)CC1 ZINC000034870137 570561204 /nfs/dbraw/zinc/56/12/04/570561204.db2.gz MFVYNMKHYRAZMT-UHFFFAOYSA-N 1 0 367.518 3.924 50 0 FHAARO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000237514381 570563216 /nfs/dbraw/zinc/56/32/16/570563216.db2.gz CAJVGDWMSGAYNC-SMDDNHRTSA-N 1 0 363.914 3.971 50 0 FHAARO Cc1ccc(OCCOC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1C ZINC000004942394 570564437 /nfs/dbraw/zinc/56/44/37/570564437.db2.gz CKQFLBLKBWSMIN-GOSISDBHSA-N 1 0 351.531 3.864 50 0 FHAARO Cc1ccc(-n2ncc(C(=O)Nc3ccccc3)c2C2CC[NH2+]CC2)cc1 ZINC000004992079 570572727 /nfs/dbraw/zinc/57/27/27/570572727.db2.gz NWWDBZWEGQKREQ-UHFFFAOYSA-N 1 0 360.461 3.900 50 0 FHAARO CCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)c1 ZINC000004123057 570577773 /nfs/dbraw/zinc/57/77/73/570577773.db2.gz PQFRYJYDBGOGLD-UHFFFAOYSA-N 1 0 367.493 3.870 50 0 FHAARO CCn1c(C)cc(O)c([C@@H](c2ccccc2F)[NH+]2CCC(C)CC2)c1=O ZINC000038545824 570593862 /nfs/dbraw/zinc/59/38/62/570593862.db2.gz LLDOVGFKKWFJOS-HXUWFJFHSA-N 1 0 358.457 3.843 50 0 FHAARO CC[NH+]1CCN(Cc2c(C)c(C)sc2NC(=O)c2cccs2)CC1 ZINC000038546787 570594211 /nfs/dbraw/zinc/59/42/11/570594211.db2.gz UWELPYMZHYVJAO-UHFFFAOYSA-N 1 0 363.552 3.816 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)COc1ccccc1)c1ccccc1Cl ZINC000011917253 570602008 /nfs/dbraw/zinc/60/20/08/570602008.db2.gz QVNDIEQNLAHUFD-LJQANCHMSA-N 1 0 360.885 3.918 50 0 FHAARO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C[N@@H+]1CCCC[C@H]1C ZINC000248236171 570602835 /nfs/dbraw/zinc/60/28/35/570602835.db2.gz MQJSDMUGXYWOGF-ZWKOTPCHSA-N 1 0 373.541 3.743 50 0 FHAARO COc1ccc2c(c1)CCc1c-2nc2ccccc2c1N1CC[NH+](C)CC1 ZINC000005510144 570629055 /nfs/dbraw/zinc/62/90/55/570629055.db2.gz JPFQXPGSXGYEHW-UHFFFAOYSA-N 1 0 359.473 3.761 50 0 FHAARO CC(C)c1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000006746689 570653630 /nfs/dbraw/zinc/65/36/30/570653630.db2.gz DCZRZCLZFASGKU-UHFFFAOYSA-N 1 0 353.495 3.668 50 0 FHAARO COC(=O)c1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000584904416 570664023 /nfs/dbraw/zinc/66/40/23/570664023.db2.gz MUUBGNGAEVGIIP-SFTDATJTSA-N 1 0 356.510 3.702 50 0 FHAARO COc1ccc([C@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCCC3)cc1 ZINC000002974646 570678659 /nfs/dbraw/zinc/67/86/59/570678659.db2.gz KZSQMXJMVOZNRC-JOCHJYFZSA-N 1 0 351.470 3.654 50 0 FHAARO CCOc1ccc([C@@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCC3)cc1 ZINC000002966465 570678927 /nfs/dbraw/zinc/67/89/27/570678927.db2.gz AYVUSZORELEFSU-QFIPXVFZSA-N 1 0 351.470 3.654 50 0 FHAARO COCCN1CC[NH+]([C@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000022865513 570695305 /nfs/dbraw/zinc/69/53/05/570695305.db2.gz NJMJOYTZYSTFTB-NRFANRHFSA-N 1 0 354.519 3.646 50 0 FHAARO CC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000009691621 570696793 /nfs/dbraw/zinc/69/67/93/570696793.db2.gz KSNZAROMGGXHLD-UHFFFAOYSA-N 1 0 351.450 3.883 50 0 FHAARO CCOC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010441773 570700878 /nfs/dbraw/zinc/70/08/78/570700878.db2.gz DRJDVIFTJORUHY-UHFFFAOYSA-N 1 0 352.434 3.711 50 0 FHAARO COc1cc2c(Cl)nc(Cl)nc2cc1OCCC[NH+]1CCCC1 ZINC000097756583 570701776 /nfs/dbraw/zinc/70/17/76/570701776.db2.gz HWTKBTXVRGWUAX-UHFFFAOYSA-N 1 0 356.253 3.810 50 0 FHAARO CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)o1 ZINC000011766537 570706580 /nfs/dbraw/zinc/70/65/80/570706580.db2.gz NYEQJKNBJPNHPP-INIZCTEOSA-N 1 0 357.450 3.954 50 0 FHAARO CC(C)CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011842677 570709278 /nfs/dbraw/zinc/70/92/78/570709278.db2.gz FLSDWZBEKRDBHP-OAQYLSRUSA-N 1 0 371.569 3.525 50 0 FHAARO COc1cccc(NC(=O)CCC2CC[NH+]([C@@H](C)CSC)CC2)c1 ZINC000011879158 570710700 /nfs/dbraw/zinc/71/07/00/570710700.db2.gz VPSNYSJJYZSOTC-HNNXBMFYSA-N 1 0 350.528 3.877 50 0 FHAARO CC(C)[NH+]1CCC(NCc2cccnc2N(C)Cc2ccccc2)CC1 ZINC000011932929 570711933 /nfs/dbraw/zinc/71/19/33/570711933.db2.gz QKOBALZKCBIBEB-UHFFFAOYSA-N 1 0 352.526 3.680 50 0 FHAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4c[nH]cn4)C3)C2)cc1 ZINC000011935579 570711939 /nfs/dbraw/zinc/71/19/39/570711939.db2.gz BUNNUNQYYOYYMQ-JOCHJYFZSA-N 1 0 366.509 3.661 50 0 FHAARO COc1ccc(C[NH2+][C@@H](C)c2cnc(-c3ccncc3)nc2C)cc1F ZINC000012199930 570726708 /nfs/dbraw/zinc/72/67/08/570726708.db2.gz RZYYKZHYSRFFMW-ZDUSSCGKSA-N 1 0 352.413 3.846 50 0 FHAARO CCOc1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)ccc1O ZINC000012209354 570728095 /nfs/dbraw/zinc/72/80/95/570728095.db2.gz XYZZEPUYSVDAFW-SFHVURJKSA-N 1 0 369.461 3.894 50 0 FHAARO Cc1c2cc(C)ccc2oc1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000012223799 570729471 /nfs/dbraw/zinc/72/94/71/570729471.db2.gz PGPMIQDZYNLEOU-UHFFFAOYSA-N 1 0 358.507 3.703 50 0 FHAARO CCCN1CC[C@H]([N@H+](C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)CCC1=O ZINC000012245054 570730767 /nfs/dbraw/zinc/73/07/67/570730767.db2.gz JSQCTWSVNGVMNS-FUHWJXTLSA-N 1 0 354.498 3.861 50 0 FHAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000012299816 570733335 /nfs/dbraw/zinc/73/33/35/570733335.db2.gz REEOQOGBSDEPEK-INIZCTEOSA-N 1 0 370.522 3.623 50 0 FHAARO COc1cc(C[N@@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)cc(OC)c1 ZINC000012301455 570733838 /nfs/dbraw/zinc/73/38/38/570733838.db2.gz CHSUSSWDZBVMCA-HSZRJFAPSA-N 1 0 369.505 3.911 50 0 FHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(O)c2)CC1)C1CCCC1 ZINC000012304040 570734347 /nfs/dbraw/zinc/73/43/47/570734347.db2.gz DXQWMIVOQXBGSS-UHFFFAOYSA-N 1 0 368.481 3.555 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000012382476 570740999 /nfs/dbraw/zinc/74/09/99/570740999.db2.gz YPWAHWMEZXCADV-LBPRGKRZSA-N 1 0 359.297 3.750 50 0 FHAARO CCc1ccc2oc(=O)cc(CN3CCC([NH+]4CCCCC4)CC3)c2c1 ZINC000012413480 570743453 /nfs/dbraw/zinc/74/34/53/570743453.db2.gz VCGSOIFZYSKTMF-UHFFFAOYSA-N 1 0 354.494 3.806 50 0 biogenic,in-vitro FHAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](Cc2ccccn2)CC1 ZINC000012438788 570745571 /nfs/dbraw/zinc/74/55/71/570745571.db2.gz FFIVTBIQRPGRDW-UHFFFAOYSA-N 1 0 356.441 3.609 50 0 FHAARO CCCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012464164 570748069 /nfs/dbraw/zinc/74/80/69/570748069.db2.gz LSLGLUIUJYFKEY-NRFANRHFSA-N 1 0 371.569 3.622 50 0 FHAARO COCc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)o1 ZINC000012576240 570751427 /nfs/dbraw/zinc/75/14/27/570751427.db2.gz PDGMSYHFNLIRGD-LJQANCHMSA-N 1 0 370.493 3.595 50 0 FHAARO O=C(CCC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)NC[C@@H]1CCCO1 ZINC000012579175 570751477 /nfs/dbraw/zinc/75/14/77/570751477.db2.gz OKOMKDHNDUTBCF-QMYPENSCSA-N 1 0 374.500 3.626 50 0 FHAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3ccoc3C)C2)cc1 ZINC000012612427 570753332 /nfs/dbraw/zinc/75/33/32/570753332.db2.gz PNQYLFXMLXJUAW-LJQANCHMSA-N 1 0 370.493 3.623 50 0 FHAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3ccoc3C)C2)cc1 ZINC000012612420 570753420 /nfs/dbraw/zinc/75/34/20/570753420.db2.gz PNQYLFXMLXJUAW-IBGZPJMESA-N 1 0 370.493 3.623 50 0 FHAARO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012815530 570764839 /nfs/dbraw/zinc/76/48/39/570764839.db2.gz FVADNLKMBSCAFL-NRFANRHFSA-N 1 0 374.488 3.592 50 0 FHAARO CCN1C[C@@H](C[N@H+](C)Cc2nc3ccccc3nc2C)Oc2ccccc21 ZINC000032797328 570804126 /nfs/dbraw/zinc/80/41/26/570804126.db2.gz DFHRFSRQAWDJDZ-QGZVFWFLSA-N 1 0 362.477 3.658 50 0 FHAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CC3CCCC3)C2)CC1 ZINC000015080058 570832495 /nfs/dbraw/zinc/83/24/95/570832495.db2.gz DPFFRPPCOFXIJK-NRFANRHFSA-N 1 0 369.553 3.688 50 0 FHAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000103512164 570850951 /nfs/dbraw/zinc/85/09/51/570850951.db2.gz PSPBAPPKMZWSEN-QRWLVFNGSA-N 1 0 356.441 3.849 50 0 FHAARO COc1ccccc1C(=O)N(CC[NH+](C)C)c1nc2ccccc2s1 ZINC000004585285 570851512 /nfs/dbraw/zinc/85/15/12/570851512.db2.gz SYOVEYJOIVCVRT-UHFFFAOYSA-N 1 0 355.463 3.513 50 0 FHAARO C[C@@H]1Cc2ccc(Br)cc2[C@H]1[NH2+]CCCOC[C@H]1CCOC1 ZINC000108149065 570903607 /nfs/dbraw/zinc/90/36/07/570903607.db2.gz INOYTRZJPUSKDE-LBTNJELSSA-N 1 0 368.315 3.715 50 0 FHAARO C[C@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000048246878 570938216 /nfs/dbraw/zinc/93/82/16/570938216.db2.gz LTXRHYVSJPSIFY-WMLDXEAASA-N 1 0 365.518 3.784 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)C(C)C ZINC000048355774 570950904 /nfs/dbraw/zinc/95/09/04/570950904.db2.gz GSMHZOQAUHPGEI-IBGZPJMESA-N 1 0 374.529 3.691 50 0 FHAARO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](CCC(C)C)CC3)n2)cc1F ZINC000048366498 570951966 /nfs/dbraw/zinc/95/19/66/570951966.db2.gz LUNABOSJJPCHRV-INIZCTEOSA-N 1 0 360.477 3.909 50 0 FHAARO O=C(C1CCCCC1)N1CCC([NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000048712265 570958907 /nfs/dbraw/zinc/95/89/07/570958907.db2.gz VIFDOMBJYCEIKN-UHFFFAOYSA-N 1 0 372.509 3.509 50 0 FHAARO CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1(C)C ZINC000024714396 570980341 /nfs/dbraw/zinc/98/03/41/570980341.db2.gz MSVQPEVWVSTSNW-AZUAARDMSA-N 1 0 355.526 3.924 50 0 FHAARO Oc1ccc(C2=CC[N@H+](C[C@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000025062063 570990123 /nfs/dbraw/zinc/99/01/23/570990123.db2.gz ZNFZVEJZNJRUAW-FQEVSTJZSA-N 1 0 373.880 3.712 50 0 FHAARO Nc1ccccc1SCC[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000601008699 570993818 /nfs/dbraw/zinc/99/38/18/570993818.db2.gz UWBGQYWDOOMSME-UHFFFAOYSA-N 1 0 364.518 3.731 50 0 FHAARO Cc1c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)sc2nc(C)nc(C)c12 ZINC000025332080 570994541 /nfs/dbraw/zinc/99/45/41/570994541.db2.gz UHIJYTSGNOOYRA-CQSZACIVSA-N 1 0 374.535 3.711 50 0 FHAARO CCCn1c[n+](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2c1=O ZINC000025560255 570997337 /nfs/dbraw/zinc/99/73/37/570997337.db2.gz CYQUTUAYYJOLTR-UHFFFAOYSA-N 1 0 363.481 3.879 50 0 FHAARO Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2)n1 ZINC000025784801 571000689 /nfs/dbraw/zinc/00/06/89/571000689.db2.gz BUZPZNBDKZINCG-SFHVURJKSA-N 1 0 368.506 3.583 50 0 FHAARO CC(C)[C@@H](CNC(=O)NCc1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000026170118 571003369 /nfs/dbraw/zinc/00/33/69/571003369.db2.gz VFZNUVRRXBFYJG-OAQYLSRUSA-N 1 0 369.484 3.708 50 0 FHAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCc2[nH]c3ccccc3c2C1 ZINC000026484884 571006183 /nfs/dbraw/zinc/00/61/83/571006183.db2.gz UBGDJLFPFDASIJ-LJQANCHMSA-N 1 0 365.502 3.951 50 0 FHAARO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000027333656 571011383 /nfs/dbraw/zinc/01/13/83/571011383.db2.gz USEMTEUXFTWTGY-PBHICJAKSA-N 1 0 362.857 3.654 50 0 FHAARO Cc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027580129 571013881 /nfs/dbraw/zinc/01/38/81/571013881.db2.gz SLHZIFTXWPWAHB-GOSISDBHSA-N 1 0 358.507 3.779 50 0 FHAARO CCc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027582276 571014632 /nfs/dbraw/zinc/01/46/32/571014632.db2.gz KGNLCMJXKKHAQF-SFHVURJKSA-N 1 0 358.507 3.643 50 0 FHAARO Cc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027583861 571015263 /nfs/dbraw/zinc/01/52/63/571015263.db2.gz KGVLFMSLSNYMSC-HXUWFJFHSA-N 1 0 372.896 3.981 50 0 FHAARO COc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027662189 571017026 /nfs/dbraw/zinc/01/70/26/571017026.db2.gz AHOXJWOHDZHXJV-FQEVSTJZSA-N 1 0 372.896 3.844 50 0 FHAARO O=C(COc1cccc(Cl)c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027664242 571018228 /nfs/dbraw/zinc/01/82/28/571018228.db2.gz PEBTYZULZMLRFW-INIZCTEOSA-N 1 0 364.898 3.734 50 0 FHAARO CCc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793068 571021169 /nfs/dbraw/zinc/02/11/69/571021169.db2.gz YYGIYHZGLPEFSD-JOCHJYFZSA-N 1 0 366.505 3.890 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCCC2)cc1 ZINC000027794441 571021538 /nfs/dbraw/zinc/02/15/38/571021538.db2.gz AJKBFQVPMLXCAV-NRFANRHFSA-N 1 0 352.478 3.636 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Nc2ccccc2C)[NH+]2CCCC2)cc1 ZINC000028247773 571028390 /nfs/dbraw/zinc/02/83/90/571028390.db2.gz OQXQPTMJKHTTCB-HXUWFJFHSA-N 1 0 353.466 3.962 50 0 FHAARO CCOc1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000028288167 571029267 /nfs/dbraw/zinc/02/92/67/571029267.db2.gz PGAXLKDMKJLVEC-NRFANRHFSA-N 1 0 368.477 3.661 50 0 FHAARO C[C@@H](NC(=O)Nc1cnn(-c2ccccc2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000225389762 571032551 /nfs/dbraw/zinc/03/25/51/571032551.db2.gz GGIJBLVRKNCPIV-OXQOHEQNSA-N 1 0 363.465 3.685 50 0 FHAARO CCN(CC)c1ccc(N[C@H](COC(C)=O)c2ccc(Cl)cn2)cn1 ZINC000225410787 571033694 /nfs/dbraw/zinc/03/36/94/571033694.db2.gz QCBMGYKZYYFPOW-QGZVFWFLSA-N 1 0 362.861 3.693 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)[nH]n2)s1 ZINC000028833028 571035133 /nfs/dbraw/zinc/03/51/33/571035133.db2.gz AWWKIRAIKITMMO-MRXNPFEDSA-N 1 0 370.478 3.607 50 0 FHAARO O=C(C[N@@H+]1CCC[C@]2(CC=CCC2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000072284965 571039724 /nfs/dbraw/zinc/03/97/24/571039724.db2.gz IGPFEVQMGNKOIX-HSZRJFAPSA-N 1 0 363.505 3.875 50 0 FHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc2nccnc2c1 ZINC000008327101 571040627 /nfs/dbraw/zinc/04/06/27/571040627.db2.gz MRMMATRQKQIPFX-UHFFFAOYSA-N 1 0 352.482 3.548 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2cc1O)c1cccc(F)c1 ZINC000029836713 571044159 /nfs/dbraw/zinc/04/41/59/571044159.db2.gz JXGSBDPJAIBMGB-IBGZPJMESA-N 1 0 352.409 3.717 50 0 FHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Br)c1 ZINC000008406335 571045742 /nfs/dbraw/zinc/04/57/42/571045742.db2.gz CKYTWDQQEBWXEU-UHFFFAOYSA-N 1 0 373.294 3.975 50 0 FHAARO c1c(-c2ccc3c(c2)OCO3)nc2n1c1ccccc1n2CC[NH+]1CCCC1 ZINC000001274972 571045885 /nfs/dbraw/zinc/04/58/85/571045885.db2.gz MSOROTLAGHATLP-UHFFFAOYSA-N 1 0 374.444 3.781 50 0 FHAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000083847967 571053255 /nfs/dbraw/zinc/05/32/55/571053255.db2.gz LHXPXXVXZQEZPX-NUEKZKHPSA-N 1 0 354.416 3.752 50 0 FHAARO Cc1ccc(NS(=O)(=O)c2cnc3ccc(F)cc3c2)c(C[NH+](C)C)c1 ZINC000225695772 571056605 /nfs/dbraw/zinc/05/66/05/571056605.db2.gz UANDTQDPQMKTQT-UHFFFAOYSA-N 1 0 373.453 3.545 50 0 FHAARO CCOc1cc2c(cc1C[NH2+]Cc1ccc(NC(C)=O)cc1)O[C@H](C)C2 ZINC000008750682 571059380 /nfs/dbraw/zinc/05/93/80/571059380.db2.gz YCKLQECYLVPGAS-CQSZACIVSA-N 1 0 354.450 3.657 50 0 FHAARO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000072305274 571061661 /nfs/dbraw/zinc/06/16/61/571061661.db2.gz XJJBWQQJHGVOFC-STQMWFEESA-N 1 0 358.313 3.594 50 0 FHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cnc2ccccc2n1 ZINC000008855528 571063150 /nfs/dbraw/zinc/06/31/50/571063150.db2.gz WGESGYXLTGTVBP-UHFFFAOYSA-N 1 0 352.482 3.548 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(C)=O)s1)c1cccc(OC)c1 ZINC000012745163 571064968 /nfs/dbraw/zinc/06/49/68/571064968.db2.gz DLQBWSJUBPKEQG-QGZVFWFLSA-N 1 0 374.506 3.772 50 0 FHAARO Cc1ccccc1NCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000039975563 571066641 /nfs/dbraw/zinc/06/66/41/571066641.db2.gz GRRUFENCBQRSRV-UHFFFAOYSA-N 1 0 351.494 3.578 50 0 FHAARO C[N@H+](CC(=O)Nc1ccnn1Cc1cccc(Cl)c1)C1CCCCC1 ZINC000040020100 571068670 /nfs/dbraw/zinc/06/86/70/571068670.db2.gz WYMWOGXIOAKVKR-UHFFFAOYSA-N 1 0 360.889 3.788 50 0 FHAARO CCCCOc1ccc(NC(=[NH2+])Nc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 ZINC000015745806 571068948 /nfs/dbraw/zinc/06/89/48/571068948.db2.gz NYFNJVRVBJILSM-UHFFFAOYSA-N 1 0 369.347 3.839 50 0 FHAARO COc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000008917446 571072909 /nfs/dbraw/zinc/07/29/09/571072909.db2.gz BFCHERDOMKMVQI-NRFANRHFSA-N 1 0 368.477 3.661 50 0 FHAARO O=C(NCCc1ccccc1F)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000040120650 571080858 /nfs/dbraw/zinc/08/08/58/571080858.db2.gz GTRICVYXVFDVKS-UHFFFAOYSA-N 1 0 358.432 3.536 50 0 FHAARO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1nc(Cl)ccc1Cl ZINC000040145414 571085080 /nfs/dbraw/zinc/08/50/80/571085080.db2.gz MOUKXGQFAGCGHM-UHFFFAOYSA-N 1 0 366.292 3.635 50 0 FHAARO C[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C[NH+]1CCCC1 ZINC000040152065 571086286 /nfs/dbraw/zinc/08/62/86/571086286.db2.gz CRNMGGHZMXBPDG-INIZCTEOSA-N 1 0 353.510 3.899 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@H](C)[NH+]3C[C@H](C)C[C@@H](C)C3)no2)cc1 ZINC000227156174 571086570 /nfs/dbraw/zinc/08/65/70/571086570.db2.gz AAHHKUZURBSFGS-ZACQAIPSSA-N 1 0 355.482 3.746 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1OC ZINC000040152978 571086854 /nfs/dbraw/zinc/08/68/54/571086854.db2.gz NOWFNUUOPHKEHU-SFHVURJKSA-N 1 0 368.481 3.609 50 0 FHAARO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1C ZINC000040157549 571087993 /nfs/dbraw/zinc/08/79/93/571087993.db2.gz VOTSZYHIZDOWGR-UHFFFAOYSA-N 1 0 359.514 3.562 50 0 FHAARO Cc1csc2nc(C[NH2+][C@H](C)C34CC5CC(CC(C5)C3)C4)cc(=O)n12 ZINC000040161487 571089846 /nfs/dbraw/zinc/08/98/46/571089846.db2.gz GWKLUHOBNIAGAF-XXWNAHEMSA-N 1 0 357.523 3.759 50 0 FHAARO Cc1ccccc1COc1ccc(C[NH2+]CCCN2CCCC2=O)cc1 ZINC000040722728 571093112 /nfs/dbraw/zinc/09/31/12/571093112.db2.gz OHRHAUQUZGOEBV-UHFFFAOYSA-N 1 0 352.478 3.676 50 0 FHAARO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000084622401 571093454 /nfs/dbraw/zinc/09/34/54/571093454.db2.gz NNDNMFIIXKQGNX-KRWDZBQOSA-N 1 0 360.933 3.951 50 0 FHAARO COc1cc(Br)cc(C[NH2+]C[C@H]2CCCO2)c1OC(C)C ZINC000040728493 571093607 /nfs/dbraw/zinc/09/36/07/571093607.db2.gz UZUQUYKLUVOADK-CQSZACIVSA-N 1 0 358.276 3.514 50 0 FHAARO OCCOCC[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731876 571094447 /nfs/dbraw/zinc/09/44/47/571094447.db2.gz ZLMJPQNULWNXMZ-UHFFFAOYSA-N 1 0 370.276 3.671 50 0 FHAARO CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc3ccccc3c2)C1 ZINC000229737592 571095261 /nfs/dbraw/zinc/09/52/61/571095261.db2.gz GAIZDGHXIBLMDL-NHCUHLMSSA-N 1 0 354.494 3.502 50 0 FHAARO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000044912644 571104832 /nfs/dbraw/zinc/10/48/32/571104832.db2.gz LDFMCLQHIQJFFS-UHFFFAOYSA-N 1 0 370.468 3.753 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)c(F)c3)cc2C)CC1 ZINC000009368840 571107008 /nfs/dbraw/zinc/10/70/08/571107008.db2.gz KATOOPWLPXCZQG-UHFFFAOYSA-N 1 0 371.456 3.537 50 0 FHAARO O=C(Nc1ccccc1CN1CCOCC1)N[C@@H]1CCCc2ccccc21 ZINC000048146903 571108027 /nfs/dbraw/zinc/10/80/27/571108027.db2.gz WLQAYCUQNGRRFY-OAQYLSRUSA-N 1 0 365.477 3.718 50 0 FHAARO O=C(Nc1ccc(Cl)cc1)N1CCC[N@H+](CCc2ccncc2)CC1 ZINC000009423329 571108659 /nfs/dbraw/zinc/10/86/59/571108659.db2.gz AEXVLEJGIDDVGH-UHFFFAOYSA-N 1 0 358.873 3.517 50 0 FHAARO COc1c(C)cnc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000050448842 571110497 /nfs/dbraw/zinc/11/04/97/571110497.db2.gz UDNKSMXUETWUED-UHFFFAOYSA-N 1 0 367.493 3.623 50 0 FHAARO Cc1csc2nc(C[NH+]3CCC(Cc4ccccc4)CC3)cc(=O)n12 ZINC000009496006 571111125 /nfs/dbraw/zinc/11/11/25/571111125.db2.gz YUSDYMUGXAFSAT-UHFFFAOYSA-N 1 0 353.491 3.519 50 0 FHAARO Cc1nccn1CC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000244646859 571113690 /nfs/dbraw/zinc/11/36/90/571113690.db2.gz GQIQMMSSWLJCGE-UHFFFAOYSA-N 1 0 360.889 3.586 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000053945733 571113753 /nfs/dbraw/zinc/11/37/53/571113753.db2.gz JAOYFHWQZULXAP-GOSISDBHSA-N 1 0 354.429 3.736 50 0 FHAARO C[N@H+](CCC(=O)Nc1cc(F)ccc1F)Cc1c[nH]nc1-c1ccccc1 ZINC000244715930 571115002 /nfs/dbraw/zinc/11/50/02/571115002.db2.gz LEYOEYUADZQEKZ-UHFFFAOYSA-N 1 0 370.403 3.816 50 0 FHAARO c1ccc(C[NH+]2CCN(c3ncnc4sc5c(c43)CCC5)CC2)cc1 ZINC000054959770 571115231 /nfs/dbraw/zinc/11/52/31/571115231.db2.gz PGUNLHPDPRSDGV-UHFFFAOYSA-N 1 0 350.491 3.502 50 0 FHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C)oc2C)CC1 ZINC000009615913 571115636 /nfs/dbraw/zinc/11/56/36/571115636.db2.gz PTVBVCNSCFHXNL-UHFFFAOYSA-N 1 0 361.873 3.944 50 0 FHAARO CCc1oc(C(=O)N(C)[C@@H]2CCOC(C)(C)C2)cc1C[NH+](CC)CC ZINC000055054182 571115653 /nfs/dbraw/zinc/11/56/53/571115653.db2.gz FWHGPLFUAAHPJM-MRXNPFEDSA-N 1 0 350.503 3.713 50 0 FHAARO COc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000244763878 571116278 /nfs/dbraw/zinc/11/62/78/571116278.db2.gz OXBOELPWPRZWIG-SFHVURJKSA-N 1 0 364.449 3.737 50 0 FHAARO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cccc(Oc2ncccn2)c1 ZINC000055109364 571116575 /nfs/dbraw/zinc/11/65/75/571116575.db2.gz ZUBNGQCAAXWFHR-UHFFFAOYSA-N 1 0 351.454 3.661 50 0 FHAARO Cc1nnc([C@@H]2CCC[N@H+](Cc3nc(-c4cccc(C)c4)oc3C)C2)[nH]1 ZINC000244794956 571116954 /nfs/dbraw/zinc/11/69/54/571116954.db2.gz QXBCZZRQZXYAFO-QGZVFWFLSA-N 1 0 351.454 3.765 50 0 FHAARO Cc1nc2c(nc(C)nc2N(C)[C@H](C[NH+]2CCCC2)c2ccccc2)o1 ZINC000055152776 571117036 /nfs/dbraw/zinc/11/70/36/571117036.db2.gz AAENOLMXBXAIDC-QGZVFWFLSA-N 1 0 351.454 3.508 50 0 FHAARO O=C(NC[C@H]1CCN(c2ccccc2F)C1)C1([NH+]2CCCC2)CCCCC1 ZINC000244840245 571117758 /nfs/dbraw/zinc/11/77/58/571117758.db2.gz UJRDUGIWAHIFPJ-GOSISDBHSA-N 1 0 373.516 3.567 50 0 FHAARO Cc1ccsc1CN(CC[NH+](C)C)Cc1cccn1-c1ccccn1 ZINC000055199482 571118022 /nfs/dbraw/zinc/11/80/22/571118022.db2.gz IOVAPUAMRDYVQJ-UHFFFAOYSA-N 1 0 354.523 3.806 50 0 FHAARO c1cc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@@H]2CCCO2)cs1 ZINC000055271012 571118751 /nfs/dbraw/zinc/11/87/51/571118751.db2.gz FMRNJAVFNYMQPC-IBGZPJMESA-N 1 0 354.479 3.510 50 0 FHAARO CC(=O)Nc1ccc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000055270859 571118801 /nfs/dbraw/zinc/11/88/01/571118801.db2.gz UIGUHINWATUKGD-UHFFFAOYSA-N 1 0 352.413 3.806 50 0 FHAARO CC(C)c1nc(CCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)no1 ZINC000244884073 571119127 /nfs/dbraw/zinc/11/91/27/571119127.db2.gz YERPPXZXWXQUKI-UHFFFAOYSA-N 1 0 370.497 3.542 50 0 FHAARO CC[C@H](C)[N@@H+](Cc1ccsc1)Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000055283125 571119227 /nfs/dbraw/zinc/11/92/27/571119227.db2.gz UXRMYPZKFVQCKV-AWEZNQCLSA-N 1 0 370.540 3.533 50 0 FHAARO CCN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(CSc2ccccn2)cc1 ZINC000055344221 571119606 /nfs/dbraw/zinc/11/96/06/571119606.db2.gz BPOWTLGHZGEOCA-GOSISDBHSA-N 1 0 369.534 3.788 50 0 FHAARO CCN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(CSc2ccccn2)cc1 ZINC000055344225 571119615 /nfs/dbraw/zinc/11/96/15/571119615.db2.gz BPOWTLGHZGEOCA-SFHVURJKSA-N 1 0 369.534 3.788 50 0 FHAARO CC[C@H](C)N(Cc1ccncc1)C(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC000055392842 571120430 /nfs/dbraw/zinc/12/04/30/571120430.db2.gz OBRKGHSUHQIXBA-SFHVURJKSA-N 1 0 366.509 3.556 50 0 FHAARO Cc1cc(=O)oc2cc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)ccc12 ZINC000058066998 571125081 /nfs/dbraw/zinc/12/50/81/571125081.db2.gz OEDSFEKBYGSHQI-OAHLLOKOSA-N 1 0 371.462 3.587 50 0 FHAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1 ZINC000058137325 571125715 /nfs/dbraw/zinc/12/57/15/571125715.db2.gz XJABFZDAAYDPJX-MRXNPFEDSA-N 1 0 365.477 3.648 50 0 FHAARO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1C ZINC000071850154 571127172 /nfs/dbraw/zinc/12/71/72/571127172.db2.gz DGKJKTBPFBOJKW-IBGZPJMESA-N 1 0 368.525 3.863 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000043006417 571127728 /nfs/dbraw/zinc/12/77/28/571127728.db2.gz UUIHFSBMIOWREW-LBPRGKRZSA-N 1 0 359.297 3.750 50 0 FHAARO CC(C)[C@H](CNC(=O)NCc1ccccc1OCc1ccccc1)[NH+](C)C ZINC000058202206 571128839 /nfs/dbraw/zinc/12/88/39/571128839.db2.gz ITQXSXLRAHWKGJ-FQEVSTJZSA-N 1 0 369.509 3.651 50 0 FHAARO CCOc1ccc([C@@H](NC(=O)NCC[NH+](CC)CC)c2ccccc2)cc1 ZINC000058209392 571128954 /nfs/dbraw/zinc/12/89/54/571128954.db2.gz KLUQLANDHKQZHD-NRFANRHFSA-N 1 0 369.509 3.816 50 0 FHAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)nc2ccccc21 ZINC000249692792 571129082 /nfs/dbraw/zinc/12/90/82/571129082.db2.gz NCDNLZMPFMHUPT-KRWDZBQOSA-N 1 0 362.477 3.907 50 0 FHAARO CC[C@H]1CCCC[N@@H+]1CC(=O)NCc1cc(-c2cccc(Cl)c2)no1 ZINC000252482284 571131836 /nfs/dbraw/zinc/13/18/36/571131836.db2.gz DCIXJGXDKDRGKO-INIZCTEOSA-N 1 0 361.873 3.876 50 0 FHAARO COCC[N@@H+]1CC[C@H](CN(C)C(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000252507755 571133807 /nfs/dbraw/zinc/13/38/07/571133807.db2.gz WTMXBMMYIRJHAL-QGZVFWFLSA-N 1 0 370.468 3.533 50 0 FHAARO CC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068898 571141851 /nfs/dbraw/zinc/14/18/51/571141851.db2.gz QLFOXUOYHJQWNJ-UHFFFAOYSA-N 1 0 371.481 3.796 50 0 FHAARO CCOc1cc(C[NH2+]C[C@H]2COc3ccccc3O2)cc(Cl)c1OC ZINC000025261793 571142123 /nfs/dbraw/zinc/14/21/23/571142123.db2.gz UZCQNXGLQDJENB-AWEZNQCLSA-N 1 0 363.841 3.677 50 0 FHAARO Cc1noc(C(C)C)c1C(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025540754 571148660 /nfs/dbraw/zinc/14/86/60/571148660.db2.gz QVZRBLKJRORIKY-LJQANCHMSA-N 1 0 369.509 3.919 50 0 FHAARO Cn1cc([C@H](CNC(=O)/C=C/c2ccsc2)[NH+](C)C)c2ccccc21 ZINC000075149197 571156831 /nfs/dbraw/zinc/15/68/31/571156831.db2.gz PQYZMRPOMOSJTF-SGQUHAKNSA-N 1 0 353.491 3.672 50 0 FHAARO COc1cc(COCC2CC[NH+](Cc3cccnc3)CC2)cc(OC)c1 ZINC000075156555 571157187 /nfs/dbraw/zinc/15/71/87/571157187.db2.gz JKLKDVHWKDAPCZ-UHFFFAOYSA-N 1 0 356.466 3.528 50 0 FHAARO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccc(C)cc1 ZINC000004679075 571158921 /nfs/dbraw/zinc/15/89/21/571158921.db2.gz OFANQNXCCDONPC-UHFFFAOYSA-N 1 0 365.433 3.846 50 0 FHAARO C[C@H](C1CCN(C(=O)c2ccccc2OC(F)F)CC1)[NH+]1CCCC1 ZINC000072418871 571160378 /nfs/dbraw/zinc/16/03/78/571160378.db2.gz IAQBUTLSYRKQDO-CQSZACIVSA-N 1 0 352.425 3.625 50 0 FHAARO O=C([O-])CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1Cc1ccccc1)[C@@H]23 ZINC000072113716 571169803 /nfs/dbraw/zinc/16/98/03/571169803.db2.gz FXQCBKMSWKCUDG-HIUFNZKISA-N 1 0 356.510 3.616 50 0 FHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)o1 ZINC000072121627 571170118 /nfs/dbraw/zinc/17/01/18/571170118.db2.gz UHRHWRIMSAQSAC-CQSZACIVSA-N 1 0 362.420 3.762 50 0 FHAARO Fc1ccccc1C[N@@H+]1CCCN(Cc2cnc(-c3ccco3)nc2)CC1 ZINC000072128428 571170632 /nfs/dbraw/zinc/17/06/32/571170632.db2.gz PBAICFCTWKYYLU-UHFFFAOYSA-N 1 0 366.440 3.584 50 0 FHAARO CC(C)CCCC(=O)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000072129040 571170727 /nfs/dbraw/zinc/17/07/27/571170727.db2.gz JXEUFTAZFQEBBL-OAQYLSRUSA-N 1 0 357.542 3.968 50 0 FHAARO CSc1ccc(CN2CCn3nc(C[N@@H+]4CCC[C@H]4C)cc3C2)cc1 ZINC000072131874 571171193 /nfs/dbraw/zinc/17/11/93/571171193.db2.gz FDRBUBYSHKXULV-MRXNPFEDSA-N 1 0 356.539 3.605 50 0 FHAARO O[C@@H]1Cc2ccccc2C12CC[NH+](Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000072133731 571171459 /nfs/dbraw/zinc/17/14/59/571171459.db2.gz FSBLMKVIWDFMPJ-HXUWFJFHSA-N 1 0 365.502 3.589 50 0 FHAARO CC(C)C[C@H](Nc1nc(-c2ccccn2)nc2c1CC[NH2+]C2)c1cccnc1 ZINC000072137332 571171610 /nfs/dbraw/zinc/17/16/10/571171610.db2.gz MTQOPJZYHAPGPY-IBGZPJMESA-N 1 0 374.492 3.779 50 0 FHAARO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)cc(=O)[nH]1 ZINC000072141740 571171937 /nfs/dbraw/zinc/17/19/37/571171937.db2.gz KQJCPFDLEVDCPM-MRXNPFEDSA-N 1 0 353.466 3.584 50 0 FHAARO Clc1ccc(CN2CC[NH+](Cc3cccc4nccnc34)CC2)cc1 ZINC000072144378 571172271 /nfs/dbraw/zinc/17/22/71/571172271.db2.gz JAVKOSMZOZBQMC-UHFFFAOYSA-N 1 0 352.869 3.601 50 0 FHAARO Cc1nc(C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)cc(=O)[nH]1 ZINC000072153698 571174763 /nfs/dbraw/zinc/17/47/63/571174763.db2.gz UUTNKEUYBZFNQZ-UHFFFAOYSA-N 1 0 360.461 3.932 50 0 FHAARO C[C@H](NC(=S)NCCc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000012530721 571174883 /nfs/dbraw/zinc/17/48/83/571174883.db2.gz UJEHQYLNEPLRHO-INIZCTEOSA-N 1 0 350.491 3.640 50 0 FHAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@H+]1CCC[C@@]2(CN(C)C(=O)O2)CC1 ZINC000072156060 571174991 /nfs/dbraw/zinc/17/49/91/571174991.db2.gz JEGXEEFLOMPUQY-IBGZPJMESA-N 1 0 361.873 3.936 50 0 FHAARO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000012533896 571175506 /nfs/dbraw/zinc/17/55/06/571175506.db2.gz JSLVRTSJDMQJMU-IEBWSBKVSA-N 1 0 369.534 3.622 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1cc2occc2c(Nc2ccccc2)n1 ZINC000035503304 571178083 /nfs/dbraw/zinc/17/80/83/571178083.db2.gz OWCGWVYVHWRKHS-UHFFFAOYSA-N 1 0 352.438 3.643 50 0 FHAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003280938 571178650 /nfs/dbraw/zinc/17/86/50/571178650.db2.gz DIFYZYCTJSOFFO-SNVBAGLBSA-N 1 0 367.232 3.839 50 0 FHAARO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000012553290 571180465 /nfs/dbraw/zinc/18/04/65/571180465.db2.gz RXMMBAKPBLSWPG-NSHDSACASA-N 1 0 366.870 3.868 50 0 FHAARO COc1cc(OC)cc(N2CC[C@@H]([NH2+]C3CCC(C(F)(F)F)CC3)C2)c1 ZINC000123395690 571188561 /nfs/dbraw/zinc/18/85/61/571188561.db2.gz OFKIQTDXKPREPH-YMAMQOFZSA-N 1 0 372.431 3.993 50 0 FHAARO Cc1cc2nc(C)cc(N[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2n1 ZINC000072410910 571192085 /nfs/dbraw/zinc/19/20/85/571192085.db2.gz YQAQXNLKZMHUBE-GOSISDBHSA-N 1 0 353.445 3.562 50 0 FHAARO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H](c4cc(F)ccc4F)C3)on2)cn1 ZINC000191675596 571192148 /nfs/dbraw/zinc/19/21/48/571192148.db2.gz OEBGKRYGQCLGNN-ZDUSSCGKSA-N 1 0 358.392 3.733 50 0 FHAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@@H](OCc3ccccn3)C2)cc1 ZINC000072421493 571193311 /nfs/dbraw/zinc/19/33/11/571193311.db2.gz QGOMCDXXUCAVTP-JOCHJYFZSA-N 1 0 368.521 3.966 50 0 FHAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000072423635 571194013 /nfs/dbraw/zinc/19/40/13/571194013.db2.gz DYRBTDCXZAETNK-NRFANRHFSA-N 1 0 359.473 3.968 50 0 FHAARO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3)C2)CN1Cc1ccccc1 ZINC000072429582 571195105 /nfs/dbraw/zinc/19/51/05/571195105.db2.gz SLNHHIZQHVUAOR-HSZRJFAPSA-N 1 0 364.489 3.797 50 0 FHAARO CN1CC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)[C@@H](c2ccccc2)C1 ZINC000072433640 571196083 /nfs/dbraw/zinc/19/60/83/571196083.db2.gz BDLFDRYNYPLAEJ-JOCHJYFZSA-N 1 0 352.522 3.879 50 0 FHAARO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC3=CCCCC3)C2)on1 ZINC000072463595 571197998 /nfs/dbraw/zinc/19/79/98/571197998.db2.gz GCKPZMBVUYBSTN-AZUAARDMSA-N 1 0 357.498 3.686 50 0 FHAARO Cc1cc(N[C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2ccccc2)n1 ZINC000072468483 571198273 /nfs/dbraw/zinc/19/82/73/571198273.db2.gz BNLIAIBJTPNEJN-HXUWFJFHSA-N 1 0 359.477 3.924 50 0 FHAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-c3ccc(C)cc3)c2)C1 ZINC000299796736 571202338 /nfs/dbraw/zinc/20/23/38/571202338.db2.gz PIRIPXWWCREUKO-IBGZPJMESA-N 1 0 366.505 3.750 50 0 FHAARO CN(Cc1ccoc1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000534587737 571205341 /nfs/dbraw/zinc/20/53/41/571205341.db2.gz ADBSWMZZJNKARR-GOSISDBHSA-N 1 0 361.873 3.912 50 0 FHAARO COc1ccc2[nH]c(C(=O)N3CCC[N@H+](Cc4cccs4)CC3)cc2c1 ZINC000077300578 571206830 /nfs/dbraw/zinc/20/68/30/571206830.db2.gz UVFSJLHUEZQGHV-UHFFFAOYSA-N 1 0 369.490 3.586 50 0 FHAARO C[C@H](Cc1cccnc1)NC(=O)c1ccc(-c2ccc(C[NH+](C)C)cn2)cc1 ZINC000534634894 571206849 /nfs/dbraw/zinc/20/68/49/571206849.db2.gz OXMGCZXQWZKYEE-QGZVFWFLSA-N 1 0 374.488 3.566 50 0 FHAARO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1ccc(O)cc1 ZINC000534639410 571207201 /nfs/dbraw/zinc/20/72/01/571207201.db2.gz GOAGKLSTKKSOGV-HXUWFJFHSA-N 1 0 355.482 3.617 50 0 FHAARO CCc1nc(C)c(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)o1 ZINC000077323868 571207815 /nfs/dbraw/zinc/20/78/15/571207815.db2.gz UBIBQUKRZDWEME-GOSISDBHSA-N 1 0 355.482 3.974 50 0 FHAARO C[C@@H](Cc1ccc2c(c1)OCO2)c1nccn1CC12CCC[NH+]1CCC2 ZINC000077323463 571207837 /nfs/dbraw/zinc/20/78/37/571207837.db2.gz UDMYNEVYYVETAW-INIZCTEOSA-N 1 0 353.466 3.586 50 0 FHAARO CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2c(F)cccc2Cl)C2CC2)C1 ZINC000534658772 571208064 /nfs/dbraw/zinc/20/80/64/571208064.db2.gz CJYSOGIAMCEQEP-ZDUSSCGKSA-N 1 0 353.869 3.637 50 0 FHAARO c1nc(C2CCCCC2)ncc1C[N@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000077340513 571208119 /nfs/dbraw/zinc/20/81/19/571208119.db2.gz UWJOKDXYMXYBRU-OAQYLSRUSA-N 1 0 372.557 3.601 50 0 FHAARO CCc1ccc2nc(C)cc(C(=O)N3CC[NH+](CC4CCC4)CC3)c2c1 ZINC000077358790 571209023 /nfs/dbraw/zinc/20/90/23/571209023.db2.gz TXJKEGKNWIXLBY-UHFFFAOYSA-N 1 0 351.494 3.664 50 0 FHAARO Cc1ccc2ncccc2c1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000077407335 571210484 /nfs/dbraw/zinc/21/04/84/571210484.db2.gz HSJSANXWXWYUQT-UHFFFAOYSA-N 1 0 351.494 3.768 50 0 FHAARO O=C(c1ccc(F)cc1F)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077470475 571212604 /nfs/dbraw/zinc/21/26/04/571212604.db2.gz IKCFVIMTMVMEHB-UHFFFAOYSA-N 1 0 358.432 3.746 50 0 FHAARO c1cnn(CCC2CC[NH+](Cc3cnc(-c4cccs4)nc3)CC2)c1 ZINC000077485039 571213122 /nfs/dbraw/zinc/21/31/22/571213122.db2.gz ZUMLEYKXCULSHO-UHFFFAOYSA-N 1 0 353.495 3.704 50 0 FHAARO Cn1cc(Cl)c(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000077534793 571214924 /nfs/dbraw/zinc/21/49/24/571214924.db2.gz QKTOPHXLCBSIAU-KRWDZBQOSA-N 1 0 360.889 3.503 50 0 FHAARO CCCn1nccc1C(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077556029 571215287 /nfs/dbraw/zinc/21/52/87/571215287.db2.gz VPVZJVXRNNXOLN-IBGZPJMESA-N 1 0 354.498 3.722 50 0 FHAARO CCOc1ccc(C(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1OCC ZINC000023127967 571217391 /nfs/dbraw/zinc/21/73/91/571217391.db2.gz IOXXJCISOIMLIE-UHFFFAOYSA-N 1 0 374.525 3.868 50 0 FHAARO O=C(NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(F)(F)CC1 ZINC000426443465 571225845 /nfs/dbraw/zinc/22/58/45/571225845.db2.gz VIAIIUSIWCZXLZ-GOSISDBHSA-N 1 0 365.468 3.872 50 0 FHAARO CC(C)(C)c1ccc2oc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)nc2c1 ZINC000082093082 571227874 /nfs/dbraw/zinc/22/78/74/571227874.db2.gz YYTDDOHZALOPND-INIZCTEOSA-N 1 0 358.482 3.943 50 0 FHAARO O=C(c1ccccc1OC(F)F)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000082100279 571228399 /nfs/dbraw/zinc/22/83/99/571228399.db2.gz PWNCAKOEMURUCI-OAHLLOKOSA-N 1 0 352.425 3.626 50 0 FHAARO CSc1ncc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000082121243 571228868 /nfs/dbraw/zinc/22/88/68/571228868.db2.gz JQYCCGBOVYQADQ-GOSISDBHSA-N 1 0 370.522 3.628 50 0 FHAARO COc1cc(C)c(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)cc1C ZINC000082121632 571228918 /nfs/dbraw/zinc/22/89/18/571228918.db2.gz QNVRGOWFJSVHEH-UHFFFAOYSA-N 1 0 365.477 3.711 50 0 FHAARO C[C@H](CCc1ccc(O)cc1)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082160900 571229571 /nfs/dbraw/zinc/22/95/71/571229571.db2.gz CHRVCELUGZKYGX-MRXNPFEDSA-N 1 0 365.477 3.612 50 0 FHAARO COc1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(OCC[NH3+])c1 ZINC000426549942 571231462 /nfs/dbraw/zinc/23/14/62/571231462.db2.gz MZQYFKIZEOPPBQ-IBGZPJMESA-N 1 0 372.440 3.539 50 0 FHAARO O=C(c1cccc(-c2cc(F)ccc2O)c1)N1CC([NH+]2CCCCC2)C1 ZINC000426584669 571232460 /nfs/dbraw/zinc/23/24/60/571232460.db2.gz JEFLADDFPLGMKM-UHFFFAOYSA-N 1 0 354.425 3.509 50 0 FHAARO CN(CCC[NH+](C)C)C(=O)c1cccc(-c2ccc(C(F)(F)F)nc2)c1 ZINC000426622861 571233588 /nfs/dbraw/zinc/23/35/88/571233588.db2.gz ATZQFGPQDPYLIN-UHFFFAOYSA-N 1 0 365.399 3.791 50 0 FHAARO O=C(c1cccc(Cl)c1)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651560 571233636 /nfs/dbraw/zinc/23/36/36/571233636.db2.gz HQYWHEFKFSNROG-UHFFFAOYSA-N 1 0 371.864 3.910 50 0 FHAARO O=C(NCc1cccc2ccccc21)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000585150048 571234873 /nfs/dbraw/zinc/23/48/73/571234873.db2.gz IALHWXCPIUBJKF-IBGZPJMESA-N 1 0 365.502 3.975 50 0 FHAARO O=C(NCCCC[NH+]1CCCCCC1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000426697627 571235603 /nfs/dbraw/zinc/23/56/03/571235603.db2.gz ZDEFXGBWXQFVPH-HXUWFJFHSA-N 1 0 359.514 3.506 50 0 FHAARO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2cnc3ccccc3n2)cc1 ZINC000426699856 571235617 /nfs/dbraw/zinc/23/56/17/571235617.db2.gz CROZMFWHAISYAQ-UHFFFAOYSA-N 1 0 360.461 3.513 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000006627103 571237723 /nfs/dbraw/zinc/23/77/23/571237723.db2.gz JCDYJYAVTWCEQV-GASCZTMLSA-N 1 0 353.491 3.901 50 0 FHAARO CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000006640207 571238347 /nfs/dbraw/zinc/23/83/47/571238347.db2.gz OJUYQUXXYCIGSZ-UHFFFAOYSA-N 1 0 365.477 3.538 50 0 FHAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3cc4ccccc4o3)C2)N1Cc1cscn1 ZINC000091444917 571239684 /nfs/dbraw/zinc/23/96/84/571239684.db2.gz VLDIPIQORMRYLV-DOTOQJQBSA-N 1 0 367.474 3.512 50 0 FHAARO COc1cc(C[N@H+](C[C@H](O)COc2ccccc2C)C(C)C)cc(OC)c1 ZINC000036095073 571240689 /nfs/dbraw/zinc/24/06/89/571240689.db2.gz ABXJKTVDEMNCSZ-IBGZPJMESA-N 1 0 373.493 3.663 50 0 FHAARO CCc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)nc1 ZINC000091574698 571240748 /nfs/dbraw/zinc/24/07/48/571240748.db2.gz ARZYRIRIHZSVJA-SIKLNZKXSA-N 1 0 353.485 3.880 50 0 FHAARO COc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COC(C)(C)C)cc1OC ZINC000036096152 571240804 /nfs/dbraw/zinc/24/08/04/571240804.db2.gz HPXIYPAYFUAIOU-GOSISDBHSA-N 1 0 367.530 3.728 50 0 FHAARO COc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)c1 ZINC000036098214 571241048 /nfs/dbraw/zinc/24/10/48/571241048.db2.gz JINZRHUBILYDGR-FQEVSTJZSA-N 1 0 351.446 3.894 50 0 FHAARO CC(=O)c1ccc(C[NH+]2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc1 ZINC000091596108 571241093 /nfs/dbraw/zinc/24/10/93/571241093.db2.gz QNFYCKJFDTVKOA-UHFFFAOYSA-N 1 0 354.494 3.504 50 0 FHAARO c1ccc2c(c1)c(-c1noc(-c3ccncc3)n1)nn2CC[NH+]1CCCCC1 ZINC000064761079 571241369 /nfs/dbraw/zinc/24/13/69/571241369.db2.gz UJKWNWUDYGFDEF-UHFFFAOYSA-N 1 0 374.448 3.634 50 0 FHAARO COc1ccc(O)cc1C[NH+]1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 ZINC000091636020 571241526 /nfs/dbraw/zinc/24/15/26/571241526.db2.gz XWBGOQQIYFNBJF-UHFFFAOYSA-N 1 0 372.509 3.548 50 0 FHAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(C)ccc1C)CC2 ZINC000091649823 571241844 /nfs/dbraw/zinc/24/18/44/571241844.db2.gz JQCXQJKTHQWYBG-UHFFFAOYSA-N 1 0 358.526 3.545 50 0 FHAARO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000036103228 571242223 /nfs/dbraw/zinc/24/22/23/571242223.db2.gz LROSXZZDFXQNTH-NRFANRHFSA-N 1 0 351.446 3.860 50 0 FHAARO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c[nH+]ccc1N(C)C ZINC000036390936 571252497 /nfs/dbraw/zinc/25/24/97/571252497.db2.gz CVMIETMZFMEONE-SNVBAGLBSA-N 1 0 354.237 3.860 50 0 FHAARO O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000006942295 571255339 /nfs/dbraw/zinc/25/53/39/571255339.db2.gz XUWYIPRGAWKEBN-UHFFFAOYSA-N 1 0 372.900 3.821 50 0 FHAARO C[NH+](C)Cc1ccccc1CNC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000006992459 571256558 /nfs/dbraw/zinc/25/65/58/571256558.db2.gz YBNVOZHBQGAZEU-UHFFFAOYSA-N 1 0 350.384 3.626 50 0 FHAARO CS(=O)(=O)Cc1ccc(F)cc1C[NH2+]Cc1cc2ccccc2s1 ZINC000170033031 571260982 /nfs/dbraw/zinc/26/09/82/571260982.db2.gz DYFJILCIYNABBW-UHFFFAOYSA-N 1 0 363.479 3.875 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(-c2ccccc2)n[nH]1 ZINC000007118823 571261125 /nfs/dbraw/zinc/26/11/25/571261125.db2.gz CDYHXINPLITQME-UHFFFAOYSA-N 1 0 374.488 3.993 50 0 FHAARO CCOc1ccc2ccccc2c1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000007127001 571261495 /nfs/dbraw/zinc/26/14/95/571261495.db2.gz YZRMXILTRJKCRY-LJQANCHMSA-N 1 0 357.417 3.685 50 0 FHAARO O=C(Nc1nc(CN2CCCCCC2)cs1)c1cc(Cl)ccn1 ZINC000037136802 571265524 /nfs/dbraw/zinc/26/55/24/571265524.db2.gz SECKYCFKUBRULV-UHFFFAOYSA-N 1 0 350.875 3.820 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(N2CCCC2)ccn1)c1ccsc1 ZINC000170610230 571267628 /nfs/dbraw/zinc/26/76/28/571267628.db2.gz LBNITDGNIAVVJU-LJQANCHMSA-N 1 0 372.538 3.556 50 0 FHAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(C)c1 ZINC000170615193 571268278 /nfs/dbraw/zinc/26/82/78/571268278.db2.gz VQVQSHDFGHPLMJ-LJQANCHMSA-N 1 0 353.466 3.998 50 0 FHAARO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089929930 571274107 /nfs/dbraw/zinc/27/41/07/571274107.db2.gz DEJAQPBNUWDRLR-KRWDZBQOSA-N 1 0 351.494 3.904 50 0 FHAARO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089929929 571274137 /nfs/dbraw/zinc/27/41/37/571274137.db2.gz DEJAQPBNUWDRLR-QGZVFWFLSA-N 1 0 351.494 3.904 50 0 FHAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000237389051 571277236 /nfs/dbraw/zinc/27/72/36/571277236.db2.gz DOVVTXASCQVLFW-ZYHUDNBSSA-N 1 0 371.428 3.586 50 0 FHAARO Cc1csc(C2([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)CCC2)n1 ZINC000170652465 571283905 /nfs/dbraw/zinc/28/39/05/571283905.db2.gz UQHRANXEVIFTNC-UHFFFAOYSA-N 1 0 351.516 3.820 50 0 FHAARO COc1ccc2oc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)c(C)c2c1 ZINC000007683561 571285720 /nfs/dbraw/zinc/28/57/20/571285720.db2.gz QGQWGDGJBLYRFD-KRWDZBQOSA-N 1 0 366.461 3.653 50 0 FHAARO COCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037560440 571288045 /nfs/dbraw/zinc/28/80/45/571288045.db2.gz ZHGMVSUANSYYDI-UHFFFAOYSA-N 1 0 370.468 3.778 50 0 FHAARO CN(Cc1cccc(O)c1)C(=O)NC[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000584894877 571315251 /nfs/dbraw/zinc/31/52/51/571315251.db2.gz BGNCHHJEYHMZHS-GOSISDBHSA-N 1 0 359.514 3.578 50 0 FHAARO Cc1cc([C@@H]2CCCN2C(=O)NC2CC[NH+](Cc3cccs3)CC2)no1 ZINC000584898967 571315927 /nfs/dbraw/zinc/31/59/27/571315927.db2.gz BDHUATFIMBETIF-SFHVURJKSA-N 1 0 374.510 3.556 50 0 FHAARO CCC[NH+](CCC)Cc1cc(C(=O)NCC2(c3ccccc3)CC2)no1 ZINC000079111992 571327053 /nfs/dbraw/zinc/32/70/53/571327053.db2.gz XPNWSSLDLHAVGG-UHFFFAOYSA-N 1 0 355.482 3.758 50 0 FHAARO COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2CO)ccc1OCC(F)(F)F ZINC000095410526 571329376 /nfs/dbraw/zinc/32/93/76/571329376.db2.gz HAACALIOSSHJNM-LSDHHAIUSA-N 1 0 361.404 3.667 50 0 FHAARO COc1cccc(OC)c1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000095435782 571329574 /nfs/dbraw/zinc/32/95/74/571329574.db2.gz VMSJZEUHXMUBOJ-PKOBYXMFSA-N 1 0 354.494 3.847 50 0 FHAARO Cn1cccc1[C@@H](O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000095454567 571329954 /nfs/dbraw/zinc/32/99/54/571329954.db2.gz JVBWIINQDGOZEU-QUCCMNQESA-N 1 0 355.869 3.681 50 0 FHAARO COc1ccc(CC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC000095454115 571329983 /nfs/dbraw/zinc/32/99/83/571329983.db2.gz MEETUQQRLSRYOF-UHFFFAOYSA-N 1 0 363.498 3.736 50 0 FHAARO Cc1ccc(OCc2nc(C[NH2+]C[C@@H](C)Cn3ccnc3)cs2)cc1 ZINC000095959242 571333011 /nfs/dbraw/zinc/33/30/11/571333011.db2.gz PUDDXEKJDZBXFT-MRXNPFEDSA-N 1 0 356.495 3.653 50 0 FHAARO O=C(NCC[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccccc1 ZINC000095967498 571333221 /nfs/dbraw/zinc/33/32/21/571333221.db2.gz VNMWQKAXNSMDIZ-LJQANCHMSA-N 1 0 350.462 3.843 50 0 FHAARO CC[NH+]1CCN([C@@H](C)CNc2ccc3ccc(Cl)c(Cl)c3n2)CC1 ZINC000095986615 571333501 /nfs/dbraw/zinc/33/35/01/571333501.db2.gz GNYOCVOWJLTFBO-ZDUSSCGKSA-N 1 0 367.324 3.980 50 0 FHAARO O=C(c1ccc(-n2cccc2)cc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225686401 571337821 /nfs/dbraw/zinc/33/78/21/571337821.db2.gz BMHNMPJCQOWJBC-QHCPKHFHSA-N 1 0 371.484 3.750 50 0 FHAARO CC[NH+](CC)CCCNc1nc(Cl)nc(Nc2ccc(F)cc2F)n1 ZINC000002534561 571338191 /nfs/dbraw/zinc/33/81/91/571338191.db2.gz LGBHNOHWIUXIAG-UHFFFAOYSA-N 1 0 370.835 3.691 50 0 FHAARO Cc1c2cc(Cl)cc(Br)c2oc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000299738401 571338256 /nfs/dbraw/zinc/33/82/56/571338256.db2.gz AFJNLWJZSDOZIF-VIFPVBQESA-N 1 0 371.662 3.578 50 0 FHAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[NH2+][C@H](C)CC ZINC000002635078 571339685 /nfs/dbraw/zinc/33/96/85/571339685.db2.gz OJTKPZPGHSNOJW-CYBMUJFWSA-N 1 0 360.479 3.918 50 0 FHAARO CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC2CCCC2)cc1 ZINC000028877809 571341250 /nfs/dbraw/zinc/34/12/50/571341250.db2.gz AIJWKZCRCIIXAR-JKSUJKDBSA-N 1 0 359.514 3.693 50 0 FHAARO COCCN(C(=S)Nc1ccc(C)cc1C)C1CC[NH+](C(C)C)CC1 ZINC000002933482 571341906 /nfs/dbraw/zinc/34/19/06/571341906.db2.gz GPEKGPPQXZEGBP-UHFFFAOYSA-N 1 0 363.571 3.821 50 0 FHAARO CCc1ccccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1cccnc1 ZINC000002934115 571341950 /nfs/dbraw/zinc/34/19/50/571341950.db2.gz GQCNBZQQPVCXCZ-MRXNPFEDSA-N 1 0 356.539 3.966 50 0 FHAARO COc1ccc([C@@H]2CCCCCN2CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000057292082 571342514 /nfs/dbraw/zinc/34/25/14/571342514.db2.gz AFKNQPGFUQEQFS-ZCNNSNEGSA-N 1 0 368.477 3.521 50 0 FHAARO C[NH+](C)[C@H](CNc1ncnc2c1cnn2-c1ccccc1)c1cccs1 ZINC000057318519 571342543 /nfs/dbraw/zinc/34/25/43/571342543.db2.gz QZKVDRVRCHLVSG-MRXNPFEDSA-N 1 0 364.478 3.592 50 0 FHAARO CNC(=O)c1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C(C)C)cc1 ZINC000057383479 571343092 /nfs/dbraw/zinc/34/30/92/571343092.db2.gz XSTAAPPHNAMABO-IBGZPJMESA-N 1 0 373.884 3.625 50 0 FHAARO CSc1ccc(-c2noc(CN3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000057427633 571343350 /nfs/dbraw/zinc/34/33/50/571343350.db2.gz POYMVOORBGJIBD-UHFFFAOYSA-N 1 0 372.538 3.909 50 0 FHAARO O=S(=O)(CC1CCCC1)NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000670442289 571349565 /nfs/dbraw/zinc/34/95/65/571349565.db2.gz GVLPFLVADNVGTL-HXUWFJFHSA-N 1 0 364.555 3.541 50 0 FHAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cnoc1-c1ccccc1 ZINC000670444737 571349991 /nfs/dbraw/zinc/34/99/91/571349991.db2.gz IRSAAEIUISAJJT-MRXNPFEDSA-N 1 0 361.445 3.518 50 0 FHAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)CCc4ccccn4)[C@H]3C=C12 ZINC000003999464 571353742 /nfs/dbraw/zinc/35/37/42/571353742.db2.gz WKHUDKYPKFTYKS-IVVFSKFDSA-N 1 0 368.521 3.870 50 0 biogenic FHAARO COc1ccc(/C=C/C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000004029538 571354265 /nfs/dbraw/zinc/35/42/65/571354265.db2.gz QROSMYNPMUCJFW-QWXXHLNBSA-N 1 0 359.466 3.525 50 0 biogenic FHAARO C[C@@H](OC[C@H](O)C[N@H+](C)CCOc1ccccc1)c1ccc(Cl)cc1 ZINC000004195223 571356717 /nfs/dbraw/zinc/35/67/17/571356717.db2.gz OCSMUQVEZDDREZ-VQIMIIECSA-N 1 0 363.885 3.789 50 0 FHAARO O=C(CCn1ccc2ccc(F)cc21)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000229716294 571357185 /nfs/dbraw/zinc/35/71/85/571357185.db2.gz LOCALLAVIUZBAU-MJGOQNOKSA-N 1 0 357.473 3.551 50 0 FHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(F)c(F)cc1Cl ZINC000032398971 571357353 /nfs/dbraw/zinc/35/73/53/571357353.db2.gz NAZJJXDGSSYEEN-UHFFFAOYSA-N 1 0 364.823 3.796 50 0 FHAARO Cc1ccnn1-c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008012893 571358424 /nfs/dbraw/zinc/35/84/24/571358424.db2.gz AWIAQUPJINANIW-UHFFFAOYSA-N 1 0 374.488 3.707 50 0 FHAARO CC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000289693774 937082324 /nfs/dbraw/zinc/08/23/24/937082324.db2.gz HANJRVWWSMQBLN-CYBMUJFWSA-N 1 0 351.397 3.794 50 0 FHAARO CC1=C(CC[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)C(C)(C)CCC1 ZINC000023191448 937119129 /nfs/dbraw/zinc/11/91/29/937119129.db2.gz ZRWVTIFFOYXTDK-SFHVURJKSA-N 1 0 358.530 3.904 50 0 FHAARO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120629052 929138629 /nfs/dbraw/zinc/13/86/29/929138629.db2.gz MNSUAMXQNWAPAA-INIZCTEOSA-N 1 0 374.488 3.720 50 0 FHAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cccc(N2CCOC2=O)c1 ZINC000161881265 938417396 /nfs/dbraw/zinc/41/73/96/938417396.db2.gz LCQLRYFRBJAWCZ-OAHLLOKOSA-N 1 0 368.433 3.655 50 0 FHAARO COc1ccc(CC[C@@H](C)[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000023283497 940008817 /nfs/dbraw/zinc/00/88/17/940008817.db2.gz IWEFJBKOJYBYQL-GOSISDBHSA-N 1 0 354.494 3.847 50 0 FHAARO CCC[C@@]1(COC)CCC[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000194942070 940268612 /nfs/dbraw/zinc/26/86/12/940268612.db2.gz VSAGRJNRXJOXRP-SFHVURJKSA-N 1 0 351.397 3.796 50 0 FHAARO C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000177620284 940316122 /nfs/dbraw/zinc/31/61/22/940316122.db2.gz VIOAMIDONNCJLA-LBPRGKRZSA-N 1 0 371.403 3.572 50 0 FHAARO CC1(C)[C@H](c2ccccc2)CCN1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000333340564 945314389 /nfs/dbraw/zinc/31/43/89/945314389.db2.gz XYXXRSABAJERKF-HKUYNNGSSA-N 1 0 364.493 3.698 50 0 FHAARO CC1(C)[C@H](c2ccccc2)CCN1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333340566 945314472 /nfs/dbraw/zinc/31/44/72/945314472.db2.gz XYXXRSABAJERKF-MJGOQNOKSA-N 1 0 364.493 3.698 50 0 FHAARO Cc1ccn(CC[NH2+]C2CCN(c3ccc(-c4cscn4)cc3)CC2)n1 ZINC000023505258 940489495 /nfs/dbraw/zinc/48/94/95/940489495.db2.gz LKXXGBOCTJDGER-UHFFFAOYSA-N 1 0 367.522 3.574 50 0 FHAARO Cc1ccccc1-c1cccc(C[NH+]2CCC(n3cc(CO)nn3)CC2)c1 ZINC000023581895 940746404 /nfs/dbraw/zinc/74/64/04/940746404.db2.gz CAIHXOIICWJPGW-UHFFFAOYSA-N 1 0 362.477 3.583 50 0 FHAARO OCc1ccc(C[NH+]2CCC(c3n[nH]cc3CCc3ccccc3)CC2)o1 ZINC000020599749 941898865 /nfs/dbraw/zinc/89/88/65/941898865.db2.gz WPLBHGQGZHTKKS-UHFFFAOYSA-N 1 0 365.477 3.660 50 0 FHAARO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CN3CCCC3=O)cc1)CC2 ZINC000128487489 942028216 /nfs/dbraw/zinc/02/82/16/942028216.db2.gz UDMQAMBURVTVJU-NRFANRHFSA-N 1 0 350.462 3.595 50 0 FHAARO CC(C)C[NH+]1CCC([C@H]2c3nccn3CCCN2Cc2cccnc2)CC1 ZINC000257176806 942488640 /nfs/dbraw/zinc/48/86/40/942488640.db2.gz UWXIKXMDVHXQOQ-NRFANRHFSA-N 1 0 367.541 3.593 50 0 FHAARO CC(C)C(=O)N1CCc2[nH]cnc2[C@@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675012428 943610916 /nfs/dbraw/zinc/61/09/16/943610916.db2.gz KXHXAZGIFVAGQD-NRFANRHFSA-N 1 0 372.557 3.784 50 0 FHAARO O=C(c1ccsc1)N1CCC(C[NH+]2CCC3(CCCCO3)CC2)CC1 ZINC000675019988 943630929 /nfs/dbraw/zinc/63/09/29/943630929.db2.gz UWHBLOQNDUTNBX-UHFFFAOYSA-N 1 0 362.539 3.635 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000045463499 946050711 /nfs/dbraw/zinc/05/07/11/946050711.db2.gz UAUZBUBFXWHMPS-HNNXBMFYSA-N 1 0 351.922 3.691 50 0 FHAARO CCC(C)(C)[C@@H]1CCc2sc3ncnc(N4CC[NH+](C)CC4)c3c2C1 ZINC000000724047 210265992 /nfs/dbraw/zinc/26/59/92/210265992.db2.gz YULNNBNLXXXJSG-CQSZACIVSA-N 1 0 358.555 3.984 50 0 FHAARO COc1cccc([C@@H](CNc2nn3cc(C(C)(C)C)nc3s2)[NH+](C)C)c1 ZINC000040051241 210185778 /nfs/dbraw/zinc/18/57/78/210185778.db2.gz HSHKCYJUWVATNY-OAHLLOKOSA-N 1 0 373.526 3.812 50 0 FHAARO COCCN(Cc1ccsc1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000216187789 222661377 /nfs/dbraw/zinc/66/13/77/222661377.db2.gz QXSPMJZSLMMRQB-LJQANCHMSA-N 1 0 358.507 3.504 50 0 FHAARO Cc1cc(C)n([C@H](C)C(=O)NCc2cccnc2N(C)C2CCCCC2)n1 ZINC000011842268 210101407 /nfs/dbraw/zinc/10/14/07/210101407.db2.gz VFPPYKQTAGNUHB-QGZVFWFLSA-N 1 0 369.513 3.541 50 0 FHAARO CCc1ncc(CN2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cn1 ZINC000055107985 210067464 /nfs/dbraw/zinc/06/74/64/210067464.db2.gz XSGXKXWQUNQVHE-HSZRJFAPSA-N 1 0 364.537 3.570 50 0 FHAARO CC(=O)N(C)c1cccc(NC(=O)N2CCC[N@@H+](C3CCCCC3)CC2)c1 ZINC000299802314 210042941 /nfs/dbraw/zinc/04/29/41/210042941.db2.gz ZUZBXXPGRJHDOK-UHFFFAOYSA-N 1 0 372.513 3.542 50 0 FHAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)Nc2cccnc2Cl)C1 ZINC000299787186 210028769 /nfs/dbraw/zinc/02/87/69/210028769.db2.gz VKHOQBRUWJBYDL-OAHLLOKOSA-N 1 0 358.873 3.687 50 0 FHAARO CCc1oc(C(=O)NCc2ccc3ncccc3c2)cc1C[NH+]1CCCC1 ZINC000299780374 210025852 /nfs/dbraw/zinc/02/58/52/210025852.db2.gz CGULKDRXQPQJIA-UHFFFAOYSA-N 1 0 363.461 3.916 50 0 FHAARO C[C@@H]1CCC(=O)N1c1cccc(NC(=O)N(C)CC[NH+]2CCCCCC2)c1 ZINC000299781451 210025700 /nfs/dbraw/zinc/02/57/00/210025700.db2.gz UZOIWKKSDOSLBQ-QGZVFWFLSA-N 1 0 372.513 3.542 50 0 FHAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cccc(-c2ccncc2)c1 ZINC000299781953 210025708 /nfs/dbraw/zinc/02/57/08/210025708.db2.gz DFZPISJSVBJWOM-QHCPKHFHSA-N 1 0 371.484 3.968 50 0 FHAARO O=C(NCc1cc(F)cc(F)c1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299775145 210020667 /nfs/dbraw/zinc/02/06/67/210020667.db2.gz ABUXIRRZFMWEMW-ZCNNSNEGSA-N 1 0 356.416 3.807 50 0 FHAARO C[NH+](C)Cc1ccc(-c2cccc(C(=O)NCCCc3ccco3)c2)nc1 ZINC000299775370 210021624 /nfs/dbraw/zinc/02/16/24/210021624.db2.gz BOVCGACFGJNMND-UHFFFAOYSA-N 1 0 363.461 3.766 50 0 FHAARO COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299772765 210019461 /nfs/dbraw/zinc/01/94/61/210019461.db2.gz BWWYJXUHLMQUTQ-HBMCJLEFSA-N 1 0 364.489 3.580 50 0 FHAARO CCc1oc(C(=O)NC(C)(C)Cc2ccc(O)cc2)cc1C[NH+]1CCCC1 ZINC000299769509 210017149 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CN(Cc1ccc(-c2ccccc2)cc1)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000244884389 222944864 /nfs/dbraw/zinc/94/48/64/222944864.db2.gz YLNFVOPQRLSFDF-KDURUIRLSA-N 1 0 359.477 3.567 50 0 FHAARO O=C(NCc1cc(F)cc(F)c1)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818087 212044990 /nfs/dbraw/zinc/04/49/90/212044990.db2.gz URKBCYYCEFSWOX-UHFFFAOYSA-N 1 0 360.379 3.552 50 0 FHAARO Cc1ccc2nc(C[N@@H+](Cc3ccc(F)cc3)CC(C)C)cc(=O)n2c1 ZINC000064590863 212040875 /nfs/dbraw/zinc/04/08/75/212040875.db2.gz GZZHTSPWRSAYAS-UHFFFAOYSA-N 1 0 353.441 3.800 50 0 FHAARO CCn1cc(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)c2ccccc21 ZINC000064669815 212042178 /nfs/dbraw/zinc/04/21/78/212042178.db2.gz FXIQVBQUPNHPRE-UHFFFAOYSA-N 1 0 353.510 3.932 50 0 FHAARO CCSc1ncc(C[N@H+](CCc2ccccc2)C2CCN(C)CC2)cn1 ZINC000063857766 212035795 /nfs/dbraw/zinc/03/57/95/212035795.db2.gz YDMHYHXYUIHKGG-UHFFFAOYSA-N 1 0 370.566 3.728 50 0 FHAARO C[NH+]1CCC(NC(=S)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000063145207 212032334 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Cc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000058248536 212000402 /nfs/dbraw/zinc/00/04/02/212000402.db2.gz HYBMKMCFXWKMSN-UHFFFAOYSA-N 1 0 372.896 3.808 50 0 FHAARO Cc1ccc(OCC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000058331596 212004515 /nfs/dbraw/zinc/00/45/15/212004515.db2.gz CBFBMWZXWQUBLJ-UHFFFAOYSA-N 1 0 364.449 3.698 50 0 FHAARO Cc1ccc(C)c(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000013005944 220051390 /nfs/dbraw/zinc/05/13/90/220051390.db2.gz LJWVBOZBMVEILK-SFHVURJKSA-N 1 0 356.466 3.619 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CC[C@@H]3CCCO3)cc2)C1 ZINC000048311196 211868975 /nfs/dbraw/zinc/86/89/75/211868975.db2.gz YZNZXJGPRVSDSQ-UEXGIBASSA-N 1 0 358.526 3.740 50 0 FHAARO O=C(Nc1ccc(CN2CCOCC2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000013324830 220064113 /nfs/dbraw/zinc/06/41/13/220064113.db2.gz BCICRISBGJTSML-UHFFFAOYSA-N 1 0 363.820 3.955 50 0 FHAARO Brc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042772160 211782500 /nfs/dbraw/zinc/78/25/00/211782500.db2.gz KTFIXTSUYXCLMV-JTQLQIEISA-N 1 0 363.093 3.980 50 0 FHAARO CCc1ccc([C@@H](C)NC(=O)C[NH2+]CCOc2ccc(Cl)cc2)cc1 ZINC000016046919 220176590 /nfs/dbraw/zinc/17/65/90/220176590.db2.gz URZWWRGEIRBYQO-OAHLLOKOSA-N 1 0 360.885 3.748 50 0 FHAARO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@@H](O)COc1cccc2ccccc21 ZINC000017242245 220211514 /nfs/dbraw/zinc/21/15/14/220211514.db2.gz LAKDLLCZOGHFGS-GOSISDBHSA-N 1 0 357.494 3.593 50 0 FHAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]CCCOC(C)C)c2)cc1 ZINC000040739170 211757893 /nfs/dbraw/zinc/75/78/93/211757893.db2.gz MVTPJUTULSJZNM-UHFFFAOYSA-N 1 0 370.493 3.917 50 0 FHAARO c1csc(C[NH2+]Cc2ccc(Oc3nnnn3-c3ccccc3)cc2)c1 ZINC000040721819 211755114 /nfs/dbraw/zinc/75/51/14/211755114.db2.gz UFQZWXPEJAARLJ-UHFFFAOYSA-N 1 0 363.446 3.806 50 0 FHAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCCOC2)o1 ZINC000040154952 211732280 /nfs/dbraw/zinc/73/22/80/211732280.db2.gz DTYGFUOQIXOKQV-KRWDZBQOSA-N 1 0 351.450 3.957 50 0 FHAARO COc1ccc([C@H](CNC(=O)Nc2ccccc2C)[NH+]2CCCC2)cc1 ZINC000028247779 211483600 /nfs/dbraw/zinc/48/36/00/211483600.db2.gz OQXQPTMJKHTTCB-FQEVSTJZSA-N 1 0 353.466 3.962 50 0 FHAARO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3C)C2)cc1 ZINC000023159273 211377558 /nfs/dbraw/zinc/37/75/58/211377558.db2.gz IANFYVAWPIKLTE-HXUWFJFHSA-N 1 0 366.505 3.575 50 0 FHAARO O=C(CCn1cccn1)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012298943 211399421 /nfs/dbraw/zinc/39/94/21/211399421.db2.gz DFDFCOHMTQGGMR-QFIPXVFZSA-N 1 0 372.557 3.558 50 0 FHAARO OCC[C@@H]1CN(Cc2cc3ccccc3[nH]2)CC[N@@H+]1CC1CCCCC1 ZINC000023374807 211387711 /nfs/dbraw/zinc/38/77/11/211387711.db2.gz LKTDSPVXGFTFGZ-OAQYLSRUSA-N 1 0 355.526 3.617 50 0 FHAARO CCc1cc(=O)[nH]c(-c2cccc(C[N@@H+]3CCC[C@H]3c3ccccn3)c2)n1 ZINC000023398271 211386675 /nfs/dbraw/zinc/38/66/75/211386675.db2.gz NPQODOZEHOMHKU-FQEVSTJZSA-N 1 0 360.461 3.731 50 0 FHAARO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000022930496 211370674 /nfs/dbraw/zinc/37/06/74/211370674.db2.gz VUWUVGLXVTUBDU-HXUWFJFHSA-N 1 0 367.493 3.521 50 0 FHAARO OCC[C@H]1CN(Cc2c[nH]nc2C2CCCCC2)CC[N@@H+]1C1CCCCC1 ZINC000022913902 211367654 /nfs/dbraw/zinc/36/76/54/211367654.db2.gz YQRAITKRJXUQEW-NRFANRHFSA-N 1 0 374.573 3.659 50 0 FHAARO CC[NH+]1CCN(Cc2ccccc2NC(=O)Nc2ccc(C)cc2)CC1 ZINC000022452007 211350862 /nfs/dbraw/zinc/35/08/62/211350862.db2.gz XCPVNVZTRAXINT-UHFFFAOYSA-N 1 0 352.482 3.777 50 0 FHAARO O=C(/C=C/c1ccccc1Cl)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022375355 211348262 /nfs/dbraw/zinc/34/82/62/211348262.db2.gz XFSUQOUJGRHDAZ-CMDGGOBGSA-N 1 0 362.901 3.505 50 0 FHAARO COc1ccc([C@H](CNC(=O)[C@@]2(C)CC2(Cl)Cl)[NH+]2CCCC2)cc1 ZINC000022620324 211358339 /nfs/dbraw/zinc/35/83/39/211358339.db2.gz RIQJABGNJDSESL-DOTOQJQBSA-N 1 0 371.308 3.532 50 0 FHAARO CCc1ccc2c(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)oc2c1 ZINC000022030202 211334959 /nfs/dbraw/zinc/33/49/59/211334959.db2.gz KCUYBKMOYFFGOV-UHFFFAOYSA-N 1 0 362.473 3.673 50 0 FHAARO COc1ccccc1OCC(=O)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000021148717 211309619 /nfs/dbraw/zinc/30/96/19/211309619.db2.gz CQLYCVQJVCBCAY-IBGZPJMESA-N 1 0 374.525 3.721 50 0 FHAARO CC(C)CCCN1CC[C@H](N2CC[NH+](C3CCCCC3)CC2)CCC1=O ZINC000020999759 211303211 /nfs/dbraw/zinc/30/32/11/211303211.db2.gz VPJOODYMLMVMPB-OAQYLSRUSA-N 1 0 363.590 3.754 50 0 FHAARO c1ccc(C(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c2ccccc2)cc1 ZINC000020995590 211300895 /nfs/dbraw/zinc/30/08/95/211300895.db2.gz MXKNLALVYCFROR-JOCHJYFZSA-N 1 0 350.506 3.615 50 0 FHAARO Cc1nc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC000020738319 211295920 /nfs/dbraw/zinc/29/59/20/211295920.db2.gz YCFPPPBHKCDCHW-UHFFFAOYSA-N 1 0 365.502 3.999 50 0 FHAARO CC(C)C[C@@](O)(c1ccc(O)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170084 211308593 /nfs/dbraw/zinc/30/85/93/211308593.db2.gz GJNXCEOWCHRBST-DHIUTWEWSA-N 1 0 369.505 3.742 50 0 FHAARO COc1cccc2c1OC[C@H]([NH2+]Cc1cccc(-n3nc(C)cc3C)c1)C2 ZINC000020599533 211290207 /nfs/dbraw/zinc/29/02/07/211290207.db2.gz NVVBCGFLTQYGSZ-LJQANCHMSA-N 1 0 363.461 3.591 50 0 FHAARO c1sc2c(c1C[NH+]1CCN(Cc3ccc4c(c3)OCO4)CC1)CCCC2 ZINC000020514324 211285965 /nfs/dbraw/zinc/28/59/65/211285965.db2.gz ZSWLSAQUIRHYRX-UHFFFAOYSA-N 1 0 370.518 3.673 50 0 FHAARO Cc1cc2c(cc1C[NH2+][C@H]1CCCN(Cc3ccccc3F)C1)OCO2 ZINC000020542644 211285437 /nfs/dbraw/zinc/28/54/37/211285437.db2.gz ZELZXDXSHHCGNY-SFHVURJKSA-N 1 0 356.441 3.617 50 0 FHAARO Cc1cc(C)c2c(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)oc2c1 ZINC000020479513 211281432 /nfs/dbraw/zinc/28/14/32/211281432.db2.gz XDAGLZQVAFKDDB-UHFFFAOYSA-N 1 0 362.473 3.728 50 0 FHAARO COc1ccc([C@](O)(C(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440741 211278894 /nfs/dbraw/zinc/27/88/94/211278894.db2.gz CELUSTIGOWCGPD-XZOQPEGZSA-N 1 0 369.505 3.655 50 0 FHAARO O=C1c2ccccc2C(=O)N1C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000020223255 211271976 /nfs/dbraw/zinc/27/19/76/211271976.db2.gz XKORRSVKSHMDSO-OAQYLSRUSA-N 1 0 356.425 3.814 50 0 FHAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000019740455 211251710 /nfs/dbraw/zinc/25/17/10/211251710.db2.gz XAXZFBFGIMMBKG-UHFFFAOYSA-N 1 0 362.433 3.580 50 0 FHAARO C[C@@H]1C[NH+](C2CCN(Cc3cccc(Br)c3)CC2)C[C@@H](C)O1 ZINC000019888853 211260565 /nfs/dbraw/zinc/26/05/65/211260565.db2.gz DYJBIBUZEQQEMP-HUUCEWRRSA-N 1 0 367.331 3.523 50 0 FHAARO Cc1ccc(C)c(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c1 ZINC000019745791 211253745 /nfs/dbraw/zinc/25/37/45/211253745.db2.gz IBDSITYDTVAUKZ-UHFFFAOYSA-N 1 0 360.505 3.738 50 0 FHAARO OCC[C@@H]1CN(C/C(Cl)=C/c2ccccc2)CC[N@@H+]1C1CCCCC1 ZINC000019228561 211210026 /nfs/dbraw/zinc/21/00/26/211210026.db2.gz JEXYGSJZTXPLIZ-OHUBLEDJSA-N 1 0 362.945 3.968 50 0 FHAARO c1c(-c2ccccc2)n(CCC[NH+]2CCOCC2)c2nc3ccccc3n12 ZINC000019374325 211219663 /nfs/dbraw/zinc/21/96/63/211219663.db2.gz AGVDGCXWYZVQRG-UHFFFAOYSA-N 1 0 360.461 3.678 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNCc1cccc(OC)c1OCc1ccccc1 ZINC000019366919 211218948 /nfs/dbraw/zinc/21/89/48/211218948.db2.gz LSRXTNQSOBHIPY-FQEVSTJZSA-N 1 0 354.494 3.848 50 0 FHAARO COc1ccc(-c2cccc(-c3ccn(CC[C@H]4CCC[N@@H+]4C)n3)c2)nn1 ZINC000019111871 211202668 /nfs/dbraw/zinc/20/26/68/211202668.db2.gz RFPJSABZOICOKQ-GOSISDBHSA-N 1 0 363.465 3.500 50 0 FHAARO Cc1ccc2c(C[N@@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)cc(=O)oc2c1 ZINC000017306040 211185265 /nfs/dbraw/zinc/18/52/65/211185265.db2.gz SIDDJHZQIBQDIW-MRXNPFEDSA-N 1 0 374.444 3.875 50 0 FHAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000016603582 211162943 /nfs/dbraw/zinc/16/29/43/211162943.db2.gz FYEQTGPQDNTQCB-GFCCVEGCSA-N 1 0 359.297 3.751 50 0 FHAARO CCC[NH+]1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000016602306 211162323 /nfs/dbraw/zinc/16/23/23/211162323.db2.gz IJZCOLFVHFOZAK-UHFFFAOYSA-N 1 0 350.462 3.915 50 0 FHAARO COCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862314 211147868 /nfs/dbraw/zinc/14/78/68/211147868.db2.gz NQXVEMXPIQWNKL-UHFFFAOYSA-N 1 0 350.462 3.794 50 0 FHAARO CC(C)[N@H+](CCCNC(=O)N[C@H]1COc2ccccc2C1)C1CCCCC1 ZINC000015787325 211144614 /nfs/dbraw/zinc/14/46/14/211144614.db2.gz XEPDFGXUUMLJDB-LJQANCHMSA-N 1 0 373.541 3.723 50 0 FHAARO CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(C(C)C)cc1 ZINC000015746131 211141482 /nfs/dbraw/zinc/14/14/82/211141482.db2.gz OSCPBGZNDGQEDP-LJQANCHMSA-N 1 0 367.513 3.982 50 0 FHAARO Cc1ccc(-n2ncc(C(=O)NC3CCCCC3)c2C2CC[NH2+]CC2)cc1 ZINC000015722094 211137956 /nfs/dbraw/zinc/13/79/56/211137956.db2.gz VRVNBWHNHDHQQL-UHFFFAOYSA-N 1 0 366.509 3.710 50 0 FHAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]12CC[N@H+](CCc1ccccc1)C2 ZINC000015067108 211116333 /nfs/dbraw/zinc/11/63/33/211116333.db2.gz MKAMBLUOWUQRAE-QHCPKHFHSA-N 1 0 366.480 3.883 50 0 FHAARO O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccccc1-c1ncc[nH]1 ZINC000015079029 211121749 /nfs/dbraw/zinc/12/17/49/211121749.db2.gz DLYYQOBAJBATQP-SFHVURJKSA-N 1 0 366.509 3.851 50 0 FHAARO Cc1c([C@H](C)NC2CC[NH+](C(C)C)CC2)cnn1-c1ccc(F)cc1F ZINC000015073554 211119161 /nfs/dbraw/zinc/11/91/61/211119161.db2.gz SSEZWWQLAFCTRG-AWEZNQCLSA-N 1 0 362.468 3.982 50 0 FHAARO COc1cccc2c1OC[C@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)C2 ZINC000015071319 211118441 /nfs/dbraw/zinc/11/84/41/211118441.db2.gz XIMVAJNJZMXFFH-MRXNPFEDSA-N 1 0 351.368 3.850 50 0 FHAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]12CC[N@H+](CCc1ccccc1)C2 ZINC000015067110 211118040 /nfs/dbraw/zinc/11/80/40/211118040.db2.gz MKAMBLUOWUQRAE-HSZRJFAPSA-N 1 0 366.480 3.883 50 0 FHAARO Clc1ccccc1Cc1noc(CN2CCC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000014980236 211111287 /nfs/dbraw/zinc/11/12/87/211111287.db2.gz SLTGJMJVRHEVIW-MRXNPFEDSA-N 1 0 374.916 3.622 50 0 FHAARO c1ccc2c(c1)CC[C@H]([N@H+]1CCc3onc(-c4ccc5c(c4)OCO5)c3C1)C2 ZINC000014974963 211110389 /nfs/dbraw/zinc/11/03/89/211110389.db2.gz UNUAJHHUVMAEIK-SFHVURJKSA-N 1 0 374.440 3.986 50 0 FHAARO CCCC[C@@H]1C[N@H+](CCC(=O)NCc2ccco2)Cc2ccccc2O1 ZINC000014883968 211103818 /nfs/dbraw/zinc/10/38/18/211103818.db2.gz RHKXWBHIXSKJLJ-LJQANCHMSA-N 1 0 356.466 3.739 50 0 FHAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]C1CCCCCC1)C2 ZINC000014748050 211099904 /nfs/dbraw/zinc/09/99/04/211099904.db2.gz JFIQFCCPADIXQG-SFHVURJKSA-N 1 0 372.557 3.699 50 0 FHAARO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000014165317 211079948 /nfs/dbraw/zinc/07/99/48/211079948.db2.gz PWYKZERIFQCJQC-INIZCTEOSA-N 1 0 352.478 3.541 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCC3)[NH+]2CCCC2)cc1 ZINC000014121910 211074770 /nfs/dbraw/zinc/07/47/70/211074770.db2.gz QSPKGBWDRMIGNQ-QFIPXVFZSA-N 1 0 364.489 3.751 50 0 FHAARO COc1ccccc1[N+]1=C2CCCCN2[C@](O)(c2ccc(C)cc2C)C1 ZINC000013785514 211059537 /nfs/dbraw/zinc/05/95/37/211059537.db2.gz KZEQYRNCSHAAKS-JOCHJYFZSA-N 1 0 351.470 3.572 50 0 FHAARO O[C@@]1(c2ccc(OC(F)F)cc2)CN2CCCCCC2=[N+]1c1ccccc1 ZINC000013765750 211058800 /nfs/dbraw/zinc/05/88/00/211058800.db2.gz YFVAFEYZJQWCGY-OAQYLSRUSA-N 1 0 373.423 3.938 50 0 FHAARO CCOc1cc(C[NH2+]CCCOC(C)C)cc(Br)c1OC ZINC000013721859 211052095 /nfs/dbraw/zinc/05/20/95/211052095.db2.gz QRIBAGZKUVZBHU-UHFFFAOYSA-N 1 0 360.292 3.761 50 0 FHAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccccc1F ZINC000012926881 211008671 /nfs/dbraw/zinc/00/86/71/211008671.db2.gz OPPHTFYSARKBCT-UHFFFAOYSA-N 1 0 370.424 3.938 50 0 FHAARO COc1cccc([C@H](CNC(=O)Nc2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000012978613 211013586 /nfs/dbraw/zinc/01/35/86/211013586.db2.gz QQONMSJQNJOHTJ-FQEVSTJZSA-N 1 0 353.466 3.962 50 0 FHAARO COc1cccc([C@H](CNC(=O)Nc2ccccc2OC)[NH+]2CCCC2)c1 ZINC000012977121 211013273 /nfs/dbraw/zinc/01/32/73/211013273.db2.gz XIXQGWMBVMBGDA-IBGZPJMESA-N 1 0 369.465 3.662 50 0 FHAARO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](CC2CC2)CC1 ZINC000012305167 210940314 /nfs/dbraw/zinc/94/03/14/210940314.db2.gz NVEHDRXUPJPINY-UHFFFAOYSA-N 1 0 351.450 3.934 50 0 FHAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cccc(C)c2)cc1 ZINC000011871722 210901260 /nfs/dbraw/zinc/90/12/60/210901260.db2.gz GDAJSLUWDMXWQH-HXUWFJFHSA-N 1 0 352.478 3.675 50 0 FHAARO Cc1ccc(N[C@@H]2CCC[N@H+](Cc3cccn3-c3ncccn3)C2)cc1C ZINC000011816613 210895683 /nfs/dbraw/zinc/89/56/83/210895683.db2.gz NOPRKZCVJKTTQB-HXUWFJFHSA-N 1 0 361.493 3.961 50 0 FHAARO O=C(NCCC[NH+]1CCCCC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000011713388 210892692 /nfs/dbraw/zinc/89/26/92/210892692.db2.gz XYWUWLNDQUFDFI-UHFFFAOYSA-N 1 0 374.488 3.903 50 0 FHAARO COc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000010139685 210866051 /nfs/dbraw/zinc/86/60/51/210866051.db2.gz PRSSFPZCAWQUIP-UHFFFAOYSA-N 1 0 363.461 3.995 50 0 FHAARO CCCSc1nc2c3c(sc2c(NCCC[NH3+])n1)CC(C)(C)OC3 ZINC000006759838 210698557 /nfs/dbraw/zinc/69/85/57/210698557.db2.gz VYBHXRIRXKTVGJ-UHFFFAOYSA-N 1 0 366.556 3.805 50 0 FHAARO CCC[NH+](CCC)C[C@@H](O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000001804049 210370830 /nfs/dbraw/zinc/37/08/30/210370830.db2.gz WUHHKFJFGLSSEG-LJQANCHMSA-N 1 0 370.493 3.801 50 0 FHAARO COc1c2c(cc3c1[C@H](n1c(C)cc4ccccc41)[N@H+](C)CC3)OCO2 ZINC000020111891 220312469 /nfs/dbraw/zinc/31/24/69/220312469.db2.gz QALWOCBAGFCWCP-NRFANRHFSA-N 1 0 350.418 3.722 50 0 FHAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccccc3)nc21 ZINC000010065764 210343579 /nfs/dbraw/zinc/34/35/79/210343579.db2.gz QJZGJBCFRGKRKV-UHFFFAOYSA-N 1 0 355.463 3.513 50 0 FHAARO COc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc(OC)c1OC ZINC000001156236 210325959 /nfs/dbraw/zinc/32/59/59/210325959.db2.gz HVMNLQNHFPKQMX-UHFFFAOYSA-N 1 0 370.449 3.561 50 0 biogenic,in-vitro FHAARO O=C(CCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000000889984 210286960 /nfs/dbraw/zinc/28/69/60/210286960.db2.gz SSLUDQMMOZJWCI-IBGZPJMESA-N 1 0 351.446 3.910 50 0 FHAARO OC1(c2ccc(Br)cc2)CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000000757639 210269488 /nfs/dbraw/zinc/26/94/88/210269488.db2.gz PUTPYSAMWKDUPR-UHFFFAOYSA-N 1 0 372.306 3.900 50 0 FHAARO CCc1n(CC)c2ccccc2[n+]1C[C@@H](O)COc1c(C)cccc1C ZINC000000781047 210269326 /nfs/dbraw/zinc/26/93/26/210269326.db2.gz ZNSXWPHELDQNOT-GOSISDBHSA-N 1 0 353.486 3.568 50 0 FHAARO COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C)CC2)cc1 ZINC000000810596 210274302 /nfs/dbraw/zinc/27/43/02/210274302.db2.gz LNHDAMUXKOTLNI-HXUWFJFHSA-N 1 0 363.461 3.661 50 0 FHAARO COc1cccc(OC)c1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000000806987 210273957 /nfs/dbraw/zinc/27/39/57/210273957.db2.gz CMBROGFNJXDPFX-UHFFFAOYSA-N 1 0 354.450 3.942 50 0 FHAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH+]2CCCCCC2)C(=O)CCC1 ZINC000000795440 210273268 /nfs/dbraw/zinc/27/32/68/210273268.db2.gz ADZCLZQTBSDIOA-QGZVFWFLSA-N 1 0 354.494 3.706 50 0 FHAARO Cc1ccc(C(C)C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000802666 210272112 /nfs/dbraw/zinc/27/21/12/210272112.db2.gz WYKFFZQRMCMHMK-UHFFFAOYSA-N 1 0 352.544 3.706 50 0 FHAARO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000048356030 221010663 /nfs/dbraw/zinc/01/06/63/221010663.db2.gz WRFONOMEFJRDNA-UHFFFAOYSA-N 1 0 367.276 3.864 50 0 FHAARO Cc1ccc2[nH]c(=O)c(CCC(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2c1 ZINC000065245481 221185837 /nfs/dbraw/zinc/18/58/37/221185837.db2.gz QBYJIYKUUUUJGM-KRWDZBQOSA-N 1 0 369.509 3.562 50 0 FHAARO CC[N@@H+]1CCC[C@](C(=O)NCc2ccccc2F)(c2ccccc2)CC1 ZINC000065226056 221182883 /nfs/dbraw/zinc/18/28/83/221182883.db2.gz PDVXJHCAUBPZIQ-JOCHJYFZSA-N 1 0 354.469 3.886 50 0 FHAARO OCCn1cnc(-c2ccccc2)c1-c1cc(C[NH+]2CCCC2)cs1 ZINC000065370809 221204303 /nfs/dbraw/zinc/20/43/03/221204303.db2.gz BNOJJADKMJTDBF-UHFFFAOYSA-N 1 0 353.491 3.867 50 0 FHAARO CC(=O)Oc1c(C)cc(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cc1C ZINC000065388009 221210073 /nfs/dbraw/zinc/21/00/73/221210073.db2.gz RMCKAMMVUHNGJC-NRFANRHFSA-N 1 0 363.461 3.956 50 0 FHAARO Cc1cccc(C(C)C)c1NC(=O)C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000065421144 221218213 /nfs/dbraw/zinc/21/82/13/221218213.db2.gz ATBKZXHKMKIWRW-HXUWFJFHSA-N 1 0 352.478 3.961 50 0 FHAARO C[N@@H+](Cc1cccc(C(=O)Nc2cccc(F)c2F)c1)C[C@@H]1CCCO1 ZINC000065452284 221219895 /nfs/dbraw/zinc/21/98/95/221219895.db2.gz ZDCWDIRDCTWKEI-INIZCTEOSA-N 1 0 360.404 3.828 50 0 FHAARO C[C@@H](Nc1nc(CC[NH3+])nc2ccccc21)c1nc2c(s1)CCCC2 ZINC000065503606 221228708 /nfs/dbraw/zinc/22/87/08/221228708.db2.gz LPUFCCIMQAZMQD-GFCCVEGCSA-N 1 0 353.495 3.639 50 0 FHAARO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCc2sccc2C1 ZINC000065513942 221229547 /nfs/dbraw/zinc/22/95/47/221229547.db2.gz KIDAXZSOYVGJDP-KRWDZBQOSA-N 1 0 358.482 3.684 50 0 FHAARO c1nn(Cc2ccccc2)cc1C1=CCN(CC[NH+]2CCCCC2)CC1 ZINC000065532132 221230735 /nfs/dbraw/zinc/23/07/35/221230735.db2.gz DFYQTVVWFWEKLY-UHFFFAOYSA-N 1 0 350.510 3.506 50 0 FHAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN([C@H]1CCC[NH2+]C1)C2 ZINC000067724176 221276266 /nfs/dbraw/zinc/27/62/66/221276266.db2.gz IJWWTPPXGAZMOS-SFHVURJKSA-N 1 0 358.869 3.659 50 0 FHAARO Cc1ccccc1N1CCC([N@H+](C)Cc2nc(-c3ccncc3)no2)CC1 ZINC000067724744 221277454 /nfs/dbraw/zinc/27/74/54/221277454.db2.gz YGRPEZLRXKSSCR-UHFFFAOYSA-N 1 0 363.465 3.541 50 0 FHAARO CC[C@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC[N@@H+]1C(C)C ZINC000067818661 221290334 /nfs/dbraw/zinc/29/03/34/221290334.db2.gz MBMGDFNTQRWZTR-FQEVSTJZSA-N 1 0 363.509 3.701 50 0 FHAARO CC[C@H]1C[N@H+](Cc2cnc(SCc3ccccc3)nc2)CC[C@@]1(C)O ZINC000067834374 221292737 /nfs/dbraw/zinc/29/27/37/221292737.db2.gz AGKWICGSUNLUGU-AZUAARDMSA-N 1 0 357.523 3.752 50 0 FHAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)cc1 ZINC000067847700 221294599 /nfs/dbraw/zinc/29/45/99/221294599.db2.gz LONACGNKQXCSJL-KRWDZBQOSA-N 1 0 360.502 3.959 50 0 FHAARO [NH3+]C[C@H]1Cc2cc(Oc3cc(F)c(CN4CCCC4)c(F)c3)ccc2O1 ZINC000067867614 221297030 /nfs/dbraw/zinc/29/70/30/221297030.db2.gz PYIRBEGRMIDDCH-MRXNPFEDSA-N 1 0 360.404 3.615 50 0 FHAARO CCOc1cc2c(cc1C[NH+]1CCC(O)(c3ccc(C)cn3)CC1)CCC2 ZINC000067868689 221297120 /nfs/dbraw/zinc/29/71/20/221297120.db2.gz BZORQCKVPVYKRA-UHFFFAOYSA-N 1 0 366.505 3.761 50 0 FHAARO CCNC(=O)c1ccccc1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000067982943 221311672 /nfs/dbraw/zinc/31/16/72/221311672.db2.gz YXQZKQJYMWQJML-GOSISDBHSA-N 1 0 352.478 3.884 50 0 FHAARO O[C@@H](C[N@@H+]1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1)c1ccccc1 ZINC000067948084 221308437 /nfs/dbraw/zinc/30/84/37/221308437.db2.gz LHXQJJQLBQRKRS-IBGZPJMESA-N 1 0 353.853 3.822 50 0 FHAARO [NH3+]C[C@H]1Cc2cc(F)cc(-c3cc(C(F)(F)F)cc4[nH]cnc43)c2O1 ZINC000067955928 221309043 /nfs/dbraw/zinc/30/90/43/221309043.db2.gz SUIHCYIIIRFTGX-LLVKDONJSA-N 1 0 351.303 3.650 50 0 FHAARO COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000067966080 221309764 /nfs/dbraw/zinc/30/97/64/221309764.db2.gz ZVEKKRAMWRHODS-NRFANRHFSA-N 1 0 371.444 3.506 50 0 FHAARO C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000069619794 221327186 /nfs/dbraw/zinc/32/71/86/221327186.db2.gz IDLFVOWECITYNA-VQIMIIECSA-N 1 0 355.457 3.652 50 0 FHAARO CCOc1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)n1 ZINC000069929041 221329280 /nfs/dbraw/zinc/32/92/80/221329280.db2.gz TVWPIMXZMOJWHK-CQSZACIVSA-N 1 0 365.905 3.661 50 0 FHAARO CCc1noc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 ZINC000071388813 221345004 /nfs/dbraw/zinc/34/50/04/221345004.db2.gz HNTSUOVPWVRSSO-SFHVURJKSA-N 1 0 360.477 3.504 50 0 FHAARO CCc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccccc3)[C@H](CC)C2)nc1 ZINC000071439487 221349601 /nfs/dbraw/zinc/34/96/01/221349601.db2.gz NPVDEHAZMOSGGR-OAQYLSRUSA-N 1 0 351.494 3.657 50 0 FHAARO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071730493 221356638 /nfs/dbraw/zinc/35/66/38/221356638.db2.gz KMEBPTFJWXIEKY-NRFANRHFSA-N 1 0 369.484 3.902 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2nccc3ccccc32)CCC[N@@H+]1CC1CC1 ZINC000071759647 221366021 /nfs/dbraw/zinc/36/60/21/221366021.db2.gz NPZYHIZGSINSCA-HXUWFJFHSA-N 1 0 351.494 3.817 50 0 FHAARO Cc1oc(-c2cccc(F)c2F)nc1CN1CC([N@H+]2CCCC[C@H]2C)C1 ZINC000071761220 221367978 /nfs/dbraw/zinc/36/79/78/221367978.db2.gz JXUYURXIMNTLKK-CYBMUJFWSA-N 1 0 361.436 3.987 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2ccccc2O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071715055 221355502 /nfs/dbraw/zinc/35/55/02/221355502.db2.gz QAMSATJCMZSWEQ-HXUWFJFHSA-N 1 0 370.468 3.904 50 0 FHAARO CNC(=O)CC[N@@H+]1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000071762677 221369388 /nfs/dbraw/zinc/36/93/88/221369388.db2.gz VVOVTDDSWYUVOG-SFHVURJKSA-N 1 0 366.461 3.510 50 0 FHAARO CC(C)[C@@H]1C[N@H+](CCC(F)(F)F)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071763057 221369893 /nfs/dbraw/zinc/36/98/93/221369893.db2.gz RKWHSLDHLXZRFR-INIZCTEOSA-N 1 0 360.395 3.837 50 0 FHAARO COc1ccc(F)c(-c2nc(C[N@@H+]3CCC[C@@H](C(C)(C)O)C3)c(C)o2)c1 ZINC000071763567 221371382 /nfs/dbraw/zinc/37/13/82/221371382.db2.gz KYLPRSKUOCKDFE-CQSZACIVSA-N 1 0 362.445 3.781 50 0 FHAARO CC(C)(C)c1cc(CN2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH]n1 ZINC000071767634 221373149 /nfs/dbraw/zinc/37/31/49/221373149.db2.gz JDWHOWVBVCLPTM-KSEOMHKRSA-N 1 0 364.537 3.769 50 0 FHAARO CCCc1nc(CNC(=O)c2cccc(CC3CC[NH2+]CC3)c2)cs1 ZINC000072158360 221436205 /nfs/dbraw/zinc/43/62/05/221436205.db2.gz CAGLFUCXVFAVSS-UHFFFAOYSA-N 1 0 357.523 3.568 50 0 FHAARO CCCOc1c(Cl)cc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1OC ZINC000072303396 221459277 /nfs/dbraw/zinc/45/92/77/221459277.db2.gz HKHTWQAIOVUTNN-HNNXBMFYSA-N 1 0 368.905 3.694 50 0 FHAARO O=C(Nc1cccc(N2CCC([NH2+]CCc3ccccc3)CC2)c1)C1CC1 ZINC000299776948 132299006 /nfs/dbraw/zinc/29/90/06/132299006.db2.gz GDAWZAJDGHLYNX-UHFFFAOYSA-N 1 0 363.505 3.836 50 0 FHAARO CCCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000002178067 132382739 /nfs/dbraw/zinc/38/27/39/132382739.db2.gz DJOOLMZFDMWRCR-UHFFFAOYSA-N 1 0 367.493 3.870 50 0 FHAARO Cc1[nH]c2c(cccc2C)c1[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000021793201 132902374 /nfs/dbraw/zinc/90/23/74/132902374.db2.gz MBAMYNSPKCTYAR-HXUWFJFHSA-N 1 0 367.468 3.779 50 0 FHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(F)cc1F ZINC000043467028 136121334 /nfs/dbraw/zinc/12/13/34/136121334.db2.gz BANAUGIYQLSHIL-UHFFFAOYSA-N 1 0 360.408 3.669 50 0 FHAARO C[C@@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000043800746 136121498 /nfs/dbraw/zinc/12/14/98/136121498.db2.gz LLHLKPDOQANCTG-CQSZACIVSA-N 1 0 374.435 3.599 50 0 FHAARO Cc1nc2sc3c(c2c(N2CC[NH+](Cc4ccccc4)CC2)n1)CCC3 ZINC000055415622 136126723 /nfs/dbraw/zinc/12/67/23/136126723.db2.gz ARLGMYYWTFVRBU-UHFFFAOYSA-N 1 0 364.518 3.811 50 0 FHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)Sc1ccccc1 ZINC000012544138 136152036 /nfs/dbraw/zinc/15/20/36/136152036.db2.gz HBKQOHPBMLOZTF-KRWDZBQOSA-N 1 0 369.534 3.866 50 0 FHAARO Cc1cc(C[NH2+]C2CCN(c3cccc(-c4ccnc(C)n4)c3)CC2)ccn1 ZINC000023379989 136152770 /nfs/dbraw/zinc/15/27/70/136152770.db2.gz RFSOFCBUKQCKKO-UHFFFAOYSA-N 1 0 373.504 3.914 50 0 FHAARO Cc1cccc(OCCCCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000076041847 221593339 /nfs/dbraw/zinc/59/33/39/221593339.db2.gz ZPZKNFFSTWRPQG-FQEVSTJZSA-N 1 0 358.526 3.879 50 0 FHAARO Clc1cc(Cl)c2c(c1)C=C(C[NH2+]CCCOC[C@H]1CCCO1)CO2 ZINC000089762094 221742083 /nfs/dbraw/zinc/74/20/83/221742083.db2.gz ILHYXNNSPRACLS-MRXNPFEDSA-N 1 0 372.292 3.945 50 0 FHAARO O=C(c1cc(-c2ccco2)nc2c(Cl)cccc12)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000091326318 221752968 /nfs/dbraw/zinc/75/29/68/221752968.db2.gz ACYDPSZKYZNUAH-YVEFUNNKSA-N 1 0 367.836 3.582 50 0 FHAARO CCN1CC2(CC[NH+](Cc3cc(C)no3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091745623 221790485 /nfs/dbraw/zinc/79/04/85/221790485.db2.gz YYPKPZUNJBXCSW-HXUWFJFHSA-N 1 0 367.493 3.601 50 0 FHAARO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000093454501 221840419 /nfs/dbraw/zinc/84/04/19/221840419.db2.gz ONRCULIFUTTZLG-NRFANRHFSA-N 1 0 369.509 3.687 50 0 FHAARO COc1ccccc1-c1ncc(CN2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)s1 ZINC000095512383 221939366 /nfs/dbraw/zinc/93/93/66/221939366.db2.gz PJLDHIFZRTUUED-ZWKOTPCHSA-N 1 0 359.539 3.837 50 0 FHAARO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000095956573 221978736 /nfs/dbraw/zinc/97/87/36/221978736.db2.gz PGWPGHBSEXZLGG-FZKQIMNGSA-N 1 0 374.916 3.737 50 0 FHAARO CC(=O)c1cccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C)C2)c1 ZINC000096136503 222041541 /nfs/dbraw/zinc/04/15/41/222041541.db2.gz KSAQHPZUZBINDF-GOSISDBHSA-N 1 0 365.477 3.841 50 0 FHAARO CN(Cc1ccccc1C[NH+]1CCCC1)c1nccc(-c2ccccn2)n1 ZINC000096136627 222041790 /nfs/dbraw/zinc/04/17/90/222041790.db2.gz GBEGUODUYDOJOT-UHFFFAOYSA-N 1 0 359.477 3.771 50 0 FHAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(-c2ccco2)cc1 ZINC000096138967 222042776 /nfs/dbraw/zinc/04/27/76/222042776.db2.gz RLNVQLCXAPYARM-GOSISDBHSA-N 1 0 357.454 3.521 50 0 FHAARO COc1cccc(NC(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000096138159 222043010 /nfs/dbraw/zinc/04/30/10/222043010.db2.gz XDUJMCDVROKFQR-SFHVURJKSA-N 1 0 353.466 3.729 50 0 FHAARO C[NH+](C)C1(CNC(=O)/C=C\c2cnn(-c3ccccc3)c2)CCCCCC1 ZINC000096920573 222139830 /nfs/dbraw/zinc/13/98/30/222139830.db2.gz FVUMFYVNWFVRNB-SEYXRHQNSA-N 1 0 366.509 3.656 50 0 FHAARO Cc1nc(/C=C\C(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cs1 ZINC000097026875 222152430 /nfs/dbraw/zinc/15/24/30/222152430.db2.gz LZYVYQGASSGLQH-GWQNQTGSSA-N 1 0 369.534 3.664 50 0 FHAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)c1ccc2ncsc2c1 ZINC000097307502 222174292 /nfs/dbraw/zinc/17/42/92/222174292.db2.gz XCFZZBMJVSGMMJ-UHFFFAOYSA-N 1 0 365.502 3.906 50 0 FHAARO COCc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)o1 ZINC000097327224 222175467 /nfs/dbraw/zinc/17/54/67/222175467.db2.gz ZLJRAWSHGKUJHO-MRXNPFEDSA-N 1 0 356.466 3.730 50 0 FHAARO CCCc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)no1 ZINC000097636489 222201259 /nfs/dbraw/zinc/20/12/59/222201259.db2.gz UWSBDDBQCRZREA-HXUWFJFHSA-N 1 0 355.482 3.974 50 0 FHAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1ccccc1-c1ncc[nH]1 ZINC000097797347 222212586 /nfs/dbraw/zinc/21/25/86/222212586.db2.gz WAVZHYARYMDUOR-IBGZPJMESA-N 1 0 374.488 3.686 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCC(OCc2ccccc2)CC1 ZINC000097785446 222212845 /nfs/dbraw/zinc/21/28/45/222212845.db2.gz DWNKGDSFLZPKBC-UHFFFAOYSA-N 1 0 368.477 3.697 50 0 FHAARO COCCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccc(OC)cc2)C3)cn1 ZINC000101852208 222285159 /nfs/dbraw/zinc/28/51/59/222285159.db2.gz JVVKQORWGOGZFP-ACDBMABISA-N 1 0 367.493 3.585 50 0 FHAARO Cc1ccc(C[N@@H+]2CCN(Cc3cc4ccccc4[nH]3)C[C@H]2CCO)cc1 ZINC000104358117 222354968 /nfs/dbraw/zinc/35/49/68/222354968.db2.gz VROSALOXWHNWSE-JOCHJYFZSA-N 1 0 363.505 3.545 50 0 FHAARO OC[C@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000034868053 263397549 /nfs/dbraw/zinc/39/75/49/263397549.db2.gz NPQVTGVRQDCXKS-DJJJIMSYSA-N 1 0 363.454 3.699 50 0 FHAARO Cc1ccc(SC2CCN(C(=O)c3cccc(OCC[NH3+])c3)CC2)cc1 ZINC000426369389 263566372 /nfs/dbraw/zinc/56/63/72/263566372.db2.gz SIEBOBCVPDYZGV-UHFFFAOYSA-N 1 0 370.518 3.729 50 0 FHAARO CCCN(Cc1ccccc1F)C(=O)c1cc(Cl)ccc1OCC[NH3+] ZINC000426552212 263633556 /nfs/dbraw/zinc/63/35/56/263633556.db2.gz AQVBDQSWGCHHLI-UHFFFAOYSA-N 1 0 364.848 3.869 50 0 FHAARO COCC1(CNC(=O)c2cccc(C[NH+]3CCCCCC3)c2)CCCC1 ZINC000426615574 263645212 /nfs/dbraw/zinc/64/52/12/263645212.db2.gz QWLPSGSJWUEUIA-UHFFFAOYSA-N 1 0 358.526 3.999 50 0 FHAARO CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091468927 518921224 /nfs/dbraw/zinc/92/12/24/518921224.db2.gz SQGOIOPFKKNJCU-HXUWFJFHSA-N 1 0 368.525 3.714 50 0 FHAARO CCCOc1c(Cl)cc(C[NH2+]CCCN2CCOCC2)cc1Cl ZINC000020967518 520295922 /nfs/dbraw/zinc/29/59/22/520295922.db2.gz YEYPJWOISGLQBF-UHFFFAOYSA-N 1 0 361.313 3.594 50 0 FHAARO CC[NH+](CC)CCN(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000020599574 520641452 /nfs/dbraw/zinc/64/14/52/520641452.db2.gz IEGAOSPONYENTF-UHFFFAOYSA-N 1 0 356.392 3.529 50 0 FHAARO CCn1ccnc1C1CCN(C(=O)c2cc(C[NH+](CC)CC)oc2C)CC1 ZINC000091411605 520740376 /nfs/dbraw/zinc/74/03/76/520740376.db2.gz IMPGMNXRMGMSGF-UHFFFAOYSA-N 1 0 372.513 3.666 50 0 FHAARO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000252457291 521700025 /nfs/dbraw/zinc/70/00/25/521700025.db2.gz VKIHTFREMCVFSB-RCCFBDPRSA-N 1 0 358.530 3.775 50 0 FHAARO COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@H](O)c3ccccc3)o2)cc1 ZINC000019872455 521924899 /nfs/dbraw/zinc/92/48/99/521924899.db2.gz IZCMAOLFFOUIRG-LJQANCHMSA-N 1 0 351.402 3.556 50 0 FHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)C1 ZINC000158980739 522082387 /nfs/dbraw/zinc/08/23/87/522082387.db2.gz YGOXJJQHVNGFNB-CQSZACIVSA-N 1 0 360.404 3.829 50 0 FHAARO C[C@@H]1CC[N@H+](CCN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000252677679 524502787 /nfs/dbraw/zinc/50/27/87/524502787.db2.gz ZNHZFVOVQUKJKH-DYVFJYSZSA-N 1 0 370.324 3.738 50 0 FHAARO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@]1(O)C1CC1 ZINC000091691581 524997877 /nfs/dbraw/zinc/99/78/77/524997877.db2.gz LYNNYZPBCRUCIT-VGSWGCGISA-N 1 0 352.478 3.644 50 0 FHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000269252418 525009599 /nfs/dbraw/zinc/00/95/99/525009599.db2.gz GNAZAAOYEFZXBB-GDBMZVCRSA-N 1 0 370.880 3.770 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NCCC[NH+]3Cc4ccccc4C3)[nH]n2)cc1 ZINC000091440025 525723453 /nfs/dbraw/zinc/72/34/53/525723453.db2.gz PLRWALICAACITJ-UHFFFAOYSA-N 1 0 360.461 3.521 50 0 FHAARO COc1cccc(CN2CCC[C@H]([NH2+]Cc3cn(C)c4ccccc34)C2)c1 ZINC000020916396 525941918 /nfs/dbraw/zinc/94/19/18/525941918.db2.gz HUKBSTRBLGFZLP-FQEVSTJZSA-N 1 0 363.505 3.941 50 0 FHAARO COc1cccc(OCCC[NH+]2CCC3(CCC(=O)N(C(C)C)C3)CC2)c1 ZINC000091562797 526229987 /nfs/dbraw/zinc/22/99/87/526229987.db2.gz FNQSZBSBVNTQJT-UHFFFAOYSA-N 1 0 374.525 3.577 50 0 FHAARO c1cnn(-c2cccc(C[NH+]3CCC(c4nccn4CC4CC4)CC3)c2)c1 ZINC000082106739 526552164 /nfs/dbraw/zinc/55/21/64/526552164.db2.gz HITNNACQQBXWGT-UHFFFAOYSA-N 1 0 361.493 3.858 50 0 FHAARO Clc1cccc(N2CCCC2)c1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000089768051 526979183 /nfs/dbraw/zinc/97/91/83/526979183.db2.gz KEBWFXLAGJTNMF-UHFFFAOYSA-N 1 0 373.932 3.590 50 0 FHAARO Cc1nc2c(nc(C)nc2NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)o1 ZINC000091473994 527102315 /nfs/dbraw/zinc/10/23/15/527102315.db2.gz MTERXQFZHLXFBD-KRWDZBQOSA-N 1 0 351.454 3.526 50 0 FHAARO [NH3+]C[C@@H]1CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C1 ZINC000178518177 527216441 /nfs/dbraw/zinc/21/64/41/527216441.db2.gz CVGFBLAKWQZEGN-LBPRGKRZSA-N 1 0 366.358 3.932 50 0 FHAARO [NH3+][C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000157749180 527346649 /nfs/dbraw/zinc/34/66/49/527346649.db2.gz GBVXYVUPVHNRHH-SNVBAGLBSA-N 1 0 356.278 3.680 50 0 FHAARO O=C(Cn1ccc2ccc(F)cc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020745613 527381510 /nfs/dbraw/zinc/38/15/10/527381510.db2.gz IHYMZUHFGXLVFY-UHFFFAOYSA-N 1 0 365.452 3.561 50 0 FHAARO [NH3+][C@H]1CC[C@@H]([C@@H]2CC(=O)Nc3c2cnn3Cc2ccccc2Cl)CC1 ZINC000247751573 527412179 /nfs/dbraw/zinc/41/21/79/527412179.db2.gz SXMJTVVJNUZYCY-CFVMTHIKSA-N 1 0 358.873 3.528 50 0 FHAARO OCC1CC[NH+]([C@@H]2CCCN(Cc3ccc(OC4CCCC4)cc3)C2)CC1 ZINC000019837848 527527982 /nfs/dbraw/zinc/52/79/82/527527982.db2.gz UBYONDWMCFNBCF-OAQYLSRUSA-N 1 0 372.553 3.677 50 0 FHAARO CC[NH+](CC)Cc1cc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)o1 ZINC000219962664 535599521 /nfs/dbraw/zinc/59/95/21/535599521.db2.gz VAHDLWLSTCQLSM-UHFFFAOYSA-N 1 0 369.509 3.829 50 0 FHAARO CCc1cnc(C)nc1N1CCC([NH2+]CCCc2ccccc2OC)CC1 ZINC000095524181 536020090 /nfs/dbraw/zinc/02/00/90/536020090.db2.gz BNAVVMOZEMBYCT-UHFFFAOYSA-N 1 0 368.525 3.547 50 0 FHAARO CCc1cc2c(nc(C)nc2N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000055562688 536158668 /nfs/dbraw/zinc/15/86/68/536158668.db2.gz VVNMRHKOBDLZKK-UHFFFAOYSA-N 1 0 352.507 3.884 50 0 FHAARO COc1ccc2c(c1)[nH]c1c2ncnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000002398599 537012786 /nfs/dbraw/zinc/01/27/86/537012786.db2.gz RLQMLUMMSWSUCB-UHFFFAOYSA-N 1 0 365.481 3.574 50 0 FHAARO COc1[nH]c2cn(C(C)C)c(=O)c-2cc1C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000215344974 568064975 /nfs/dbraw/zinc/06/49/75/568064975.db2.gz YMNAQMSQCIZGJO-IBGZPJMESA-N 1 0 369.440 3.541 50 0 FHAARO Cc1cccc(-n2cc(C[NH+]3CCC([C@H](O)c4ccccn4)CC3)cn2)c1 ZINC000215604818 568079449 /nfs/dbraw/zinc/07/94/49/568079449.db2.gz WIICWOZXXFGMRE-QFIPXVFZSA-N 1 0 362.477 3.521 50 0 FHAARO Cc1c(C[N@@H+]2CCCC[C@@H]2c2ccccn2)c(=O)n(-c2ccccc2)n1C ZINC000215681905 568083518 /nfs/dbraw/zinc/08/35/18/568083518.db2.gz BHPXVORJCWMNJE-OAQYLSRUSA-N 1 0 362.477 3.607 50 0 FHAARO C[N@@H+]1CCCC[C@H]1CC(=O)NCc1ccccc1OCc1ccccc1 ZINC000215853622 568092579 /nfs/dbraw/zinc/09/25/79/568092579.db2.gz RGBQFTCXIYGMGU-FQEVSTJZSA-N 1 0 352.478 3.756 50 0 FHAARO O[C@@H](c1cccs1)C1CC[NH+](Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000216247752 568114652 /nfs/dbraw/zinc/11/46/52/568114652.db2.gz VNHXOILGVCSSMC-OAQYLSRUSA-N 1 0 367.518 3.939 50 0 FHAARO O=C1N(Cc2cccnc2)CCC[C@@]12CC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000012318939 568141151 /nfs/dbraw/zinc/14/11/51/568141151.db2.gz OEVVIZCRPCOEDH-NRFANRHFSA-N 1 0 369.896 3.750 50 0 FHAARO Cc1nc(CNC(=O)CC2CC[NH+](Cc3ccccc3)CC2)sc1C ZINC000219867630 568308687 /nfs/dbraw/zinc/30/86/87/568308687.db2.gz NREFWWQADKAHNY-UHFFFAOYSA-N 1 0 357.523 3.678 50 0 FHAARO COc1cc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc(OC)c1 ZINC000022859939 568312415 /nfs/dbraw/zinc/31/24/15/568312415.db2.gz LKLRJFSEZURBRF-VXKWHMMOSA-N 1 0 358.526 3.933 50 0 FHAARO COc1cccc(CC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000032930086 568426519 /nfs/dbraw/zinc/42/65/19/568426519.db2.gz XTUMYGCOGZXUMV-GOSISDBHSA-N 1 0 366.505 3.786 50 0 FHAARO O=C(Cc1ccccc1F)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000033028460 568445567 /nfs/dbraw/zinc/44/55/67/568445567.db2.gz IQWAEBDSEMVJTN-IBGZPJMESA-N 1 0 360.860 3.975 50 0 FHAARO O=C(NCc1ccccc1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000033071398 568456671 /nfs/dbraw/zinc/45/66/71/568456671.db2.gz YRXDUKRERBEYIV-OAHLLOKOSA-N 1 0 368.868 3.749 50 0 FHAARO O=c1cc(C[NH+]2CCC(CCn3cccn3)CC2)[nH]c2ccc(F)cc12 ZINC000091808230 570439362 /nfs/dbraw/zinc/43/93/62/570439362.db2.gz AMUIBAJXXJBHNA-UHFFFAOYSA-N 1 0 354.429 3.578 50 0 FHAARO Cc1c2cc(F)ccc2n(C)c1C(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000091915126 570442362 /nfs/dbraw/zinc/44/23/62/570442362.db2.gz ASXCUNAXIZIILA-KRWDZBQOSA-N 1 0 371.500 3.964 50 0 FHAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(OC)c(Cl)c1)CC2 ZINC000092022596 570444879 /nfs/dbraw/zinc/44/48/79/570444879.db2.gz CDRSKRZAMKEIFR-UHFFFAOYSA-N 1 0 350.890 3.573 50 0 FHAARO [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000092022425 570444886 /nfs/dbraw/zinc/44/48/86/570444886.db2.gz XALAFVMMBBCNAR-LPHOPBHVSA-N 1 0 352.821 3.955 50 0 FHAARO CC(C)n1cnnc1CN(C)C(=O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000092038032 570445575 /nfs/dbraw/zinc/44/55/75/570445575.db2.gz MDBINICRGPOZNF-UHFFFAOYSA-N 1 0 369.513 3.507 50 0 FHAARO CCSc1ccccc1C(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225569843 570449602 /nfs/dbraw/zinc/44/96/02/570449602.db2.gz RXOBMNOGAIRLKU-MRXNPFEDSA-N 1 0 364.580 3.746 50 0 FHAARO CCC[C@H](CO)[N@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101106 570451445 /nfs/dbraw/zinc/45/14/45/570451445.db2.gz IAEVNZSSXTWPDB-JOCHJYFZSA-N 1 0 371.521 3.654 50 0 FHAARO Cc1cc(C)c2c(ncnc2NC[C@@H](c2cccnc2)[NH+]2CCCCC2)n1 ZINC000095358783 570453291 /nfs/dbraw/zinc/45/32/91/570453291.db2.gz ZGNKKBWFSAHQON-SFHVURJKSA-N 1 0 362.481 3.676 50 0 FHAARO c1[nH]c(CC2CCCC2)nc1CN1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095358903 570454002 /nfs/dbraw/zinc/45/40/02/570454002.db2.gz SWRJCQHHXOSVCT-PZJWPPBQSA-N 1 0 356.558 3.839 50 0 FHAARO CSc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1[nH]cnc1C)C2 ZINC000095362381 570454507 /nfs/dbraw/zinc/45/45/07/570454507.db2.gz KWVFQHQIDRIZAV-FUHWJXTLSA-N 1 0 356.539 3.536 50 0 FHAARO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000095364079 570455128 /nfs/dbraw/zinc/45/51/28/570455128.db2.gz LLEWXHFMBSLKBU-SFHVURJKSA-N 1 0 370.443 3.945 50 0 FHAARO CCn1c(C)cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1C ZINC000095367127 570455352 /nfs/dbraw/zinc/45/53/52/570455352.db2.gz FUXGPQSKMRNTHV-LEWJYISDSA-N 1 0 365.521 3.861 50 0 FHAARO O=C(CC[N@@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1)NC1CCCCC1 ZINC000095367387 570455719 /nfs/dbraw/zinc/45/57/19/570455719.db2.gz NHMROIWDHQCEBN-LJQANCHMSA-N 1 0 372.557 3.702 50 0 FHAARO COc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)ccc1C ZINC000095369772 570456099 /nfs/dbraw/zinc/45/60/99/570456099.db2.gz KPRSABHZIAANGN-TZIWHRDSSA-N 1 0 364.489 3.740 50 0 FHAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CC[C@@H](c2ccccc2F)C1 ZINC000095370926 570456190 /nfs/dbraw/zinc/45/61/90/570456190.db2.gz NBSHJOAAKQLXSU-QGZVFWFLSA-N 1 0 356.441 3.647 50 0 FHAARO CCc1ncc(C(=O)NC[C@@H](c2ccccc2C)[NH+]2CCC(C)CC2)cn1 ZINC000095372793 570456664 /nfs/dbraw/zinc/45/66/64/570456664.db2.gz OCCRGDLSPXEVAF-FQEVSTJZSA-N 1 0 366.509 3.550 50 0 FHAARO Cc1ncsc1C[N@@H+]1CCC[C@H](c2nccn2Cc2cscn2)C1 ZINC000095374677 570457350 /nfs/dbraw/zinc/45/73/50/570457350.db2.gz ILMSISFKEOIIPO-AWEZNQCLSA-N 1 0 359.524 3.532 50 0 FHAARO CN(Cc1ccnc2ccccc12)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095386456 570460007 /nfs/dbraw/zinc/46/00/07/570460007.db2.gz PGILOSLJRJSNRA-LJQANCHMSA-N 1 0 359.473 3.974 50 0 FHAARO O=C(NCCSC1CCCCC1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095499712 570462662 /nfs/dbraw/zinc/46/26/62/570462662.db2.gz UZGXDLCHQCSLMU-INIZCTEOSA-N 1 0 350.528 3.674 50 0 FHAARO COc1ccc([C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]2NC(C)=O)cc1 ZINC000095511382 570465536 /nfs/dbraw/zinc/46/55/36/570465536.db2.gz UTPPUCJGDJXYBS-LEWJYISDSA-N 1 0 364.445 3.546 50 0 FHAARO COCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 ZINC000095519875 570467320 /nfs/dbraw/zinc/46/73/20/570467320.db2.gz ZJYSWCYQHWSYMR-GOSISDBHSA-N 1 0 367.493 3.752 50 0 FHAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095527372 570468876 /nfs/dbraw/zinc/46/88/76/570468876.db2.gz ZNUCZLFMGACBKG-QGZVFWFLSA-N 1 0 374.916 3.508 50 0 FHAARO O=C(c1ccc(Cl)cc1)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515231 570523039 /nfs/dbraw/zinc/52/30/39/570523039.db2.gz NISADTRNAZOJOO-UHFFFAOYSA-N 1 0 371.864 3.910 50 0 FHAARO COc1cc(C[NH2+]CCO)ccc1OCc1ccc(Cl)cc1Cl ZINC000002845425 570536629 /nfs/dbraw/zinc/53/66/29/570536629.db2.gz JOFXIWCJQHSCOF-UHFFFAOYSA-N 1 0 356.249 3.663 50 0 FHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000237060045 570541068 /nfs/dbraw/zinc/54/10/68/570541068.db2.gz SMBNXYVGWKEYDP-OAHLLOKOSA-N 1 0 370.880 3.643 50 0 FHAARO CCOc1ccc(C[NH2+]CCCOc2ccccn2)cc1Br ZINC000113396822 570543873 /nfs/dbraw/zinc/54/38/73/570543873.db2.gz WBYBGGHVUMSACR-UHFFFAOYSA-N 1 0 365.271 3.802 50 0 FHAARO COCC[NH2+]CCCCOc1c(Cl)cc(C)cc1Br ZINC000003003428 570549635 /nfs/dbraw/zinc/54/96/35/570549635.db2.gz QFJSLSKIXKEPTJ-UHFFFAOYSA-N 1 0 350.684 3.806 50 0 FHAARO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000237459891 570558109 /nfs/dbraw/zinc/55/81/09/570558109.db2.gz NWXHUSGWNJOJII-HOCLYGCPSA-N 1 0 357.523 3.935 50 0 FHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)C1 ZINC000237504440 570562531 /nfs/dbraw/zinc/56/25/31/570562531.db2.gz UKYNUHLETGDQMJ-DZGCQCFKSA-N 1 0 360.404 3.957 50 0 FHAARO CCOc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3C)CC2)cc1 ZINC000004996006 570573635 /nfs/dbraw/zinc/57/36/35/570573635.db2.gz DFJSLEODIISWNW-UHFFFAOYSA-N 1 0 367.493 3.545 50 0 FHAARO CCC[N@@H+]1CCC[C@@H](NC(=S)Nc2ccc(Br)cc2C)C1 ZINC000004347964 570586173 /nfs/dbraw/zinc/58/61/73/570586173.db2.gz XNZSKNADCZZCMP-CQSZACIVSA-N 1 0 370.360 3.918 50 0 FHAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3cccc(C)c3)nc21 ZINC000005115505 570586374 /nfs/dbraw/zinc/58/63/74/570586374.db2.gz ASHFLFNNFITPDM-UHFFFAOYSA-N 1 0 369.490 3.822 50 0 FHAARO CC(C)c1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000122538660 570588521 /nfs/dbraw/zinc/58/85/21/570588521.db2.gz CRBSTQVOVHEXLW-WMZOPIPTSA-N 1 0 355.482 3.923 50 0 FHAARO CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000122538024 570588638 /nfs/dbraw/zinc/58/86/38/570588638.db2.gz CRBSTQVOVHEXLW-SJLPKXTDSA-N 1 0 355.482 3.923 50 0 FHAARO CSc1nc2sc3c(c2c(SCC[NH+](C)C)n1)CC(C)(C)OC3 ZINC000005156436 570594868 /nfs/dbraw/zinc/59/48/68/570594868.db2.gz GBNXURRPBVZGAJ-UHFFFAOYSA-N 1 0 369.581 3.918 50 0 FHAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cc3cccnc3)C2)cc1 ZINC000011820930 570595561 /nfs/dbraw/zinc/59/55/61/570595561.db2.gz SZYQSEFBJGXZTM-QFIPXVFZSA-N 1 0 365.521 3.603 50 0 FHAARO Clc1ccc(N2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)nc1 ZINC000011820840 570595743 /nfs/dbraw/zinc/59/57/43/570595743.db2.gz FROBBYKGNMRFFB-SFHVURJKSA-N 1 0 356.901 3.869 50 0 FHAARO O=C(COc1ccc(Cl)cc1)OCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000004589085 570596714 /nfs/dbraw/zinc/59/67/14/570596714.db2.gz PTRXOCNYGNFJDH-UHFFFAOYSA-N 1 0 363.885 3.676 50 0 FHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000248098644 570597099 /nfs/dbraw/zinc/59/70/99/570597099.db2.gz NJEPBOXJFPPUAQ-MCIONIFRSA-N 1 0 374.909 3.505 50 0 FHAARO O=C([C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1)N1CCCCC1 ZINC000004744877 570604651 /nfs/dbraw/zinc/60/46/51/570604651.db2.gz DALTVDLZVWJFER-INIZCTEOSA-N 1 0 365.315 3.674 50 0 FHAARO Cc1c(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)sc2cccc(F)c12 ZINC000329745964 570620736 /nfs/dbraw/zinc/62/07/36/570620736.db2.gz YRFGJFGBKAIXNB-AAEUAGOBSA-N 1 0 359.426 3.935 50 0 FHAARO CCc1ccccc1C(=O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 ZINC000252482959 570622267 /nfs/dbraw/zinc/62/22/67/570622267.db2.gz DRDKOSAHZSFMBC-SFHVURJKSA-N 1 0 366.509 3.817 50 0 FHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2F)CC1 ZINC000005200844 570632851 /nfs/dbraw/zinc/63/28/51/570632851.db2.gz ZRHCHVXZADHDCU-UHFFFAOYSA-N 1 0 365.811 3.622 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000005944360 570639260 /nfs/dbraw/zinc/63/92/60/570639260.db2.gz VZDARVFFKKGTPW-UHFFFAOYSA-N 1 0 351.494 3.988 50 0 FHAARO CC(C)Cc1nc2sc3c(ncnc3NCC[NH+](C)C)c2c2c1CCC2 ZINC000005267826 570641427 /nfs/dbraw/zinc/64/14/27/570641427.db2.gz ZHSNSRDKZXSBRL-UHFFFAOYSA-N 1 0 369.538 3.900 50 0 FHAARO C[C@@H]1C[C@@](OC(=O)COc2ccccc2)(c2ccccc2)[C@H](C)C[N@@H+]1C ZINC000005355948 570649134 /nfs/dbraw/zinc/64/91/34/570649134.db2.gz ORZSEJAIMNPLCR-HMFYCAOWSA-N 1 0 353.462 3.864 50 0 FHAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000005575709 570677295 /nfs/dbraw/zinc/67/72/95/570677295.db2.gz UIJKUKUBGOTTQZ-FQEVSTJZSA-N 1 0 362.477 3.826 50 0 FHAARO COc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008535054 570682866 /nfs/dbraw/zinc/68/28/66/570682866.db2.gz LYKCEZZGBMSNGK-GFCCVEGCSA-N 1 0 353.821 3.537 50 0 FHAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000010313986 570699734 /nfs/dbraw/zinc/69/97/34/570699734.db2.gz GRNPMKMYTMDWPY-UHFFFAOYSA-N 1 0 351.450 3.651 50 0 FHAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccc(F)cc1 ZINC000010314003 570699970 /nfs/dbraw/zinc/69/99/70/570699970.db2.gz FRWRWHUYRCOOFL-UHFFFAOYSA-N 1 0 369.440 3.790 50 0 FHAARO O=C(CC1CC1)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011664991 570704659 /nfs/dbraw/zinc/70/46/59/570704659.db2.gz OWUBDWSKTOAHQI-UHFFFAOYSA-N 1 0 355.526 3.865 50 0 FHAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000011771830 570706610 /nfs/dbraw/zinc/70/66/10/570706610.db2.gz KWVWXOAXKQRBFG-OAQYLSRUSA-N 1 0 361.489 3.947 50 0 FHAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000022926663 570708796 /nfs/dbraw/zinc/70/87/96/570708796.db2.gz NJAKSLNSFHBICU-NRFANRHFSA-N 1 0 366.509 3.842 50 0 FHAARO Cc1c([C@H](C)[NH2+]Cc2cnc(N(C)C)s2)cnn1-c1cccc(F)c1 ZINC000011879055 570710827 /nfs/dbraw/zinc/71/08/27/570710827.db2.gz YBOFZQFFAHCQSC-LBPRGKRZSA-N 1 0 359.474 3.693 50 0 FHAARO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@H+](Cc2cccnc2)C1 ZINC000011933367 570711759 /nfs/dbraw/zinc/71/17/59/570711759.db2.gz WOROSMYCTPAWTE-NRFANRHFSA-N 1 0 356.441 3.609 50 0 FHAARO COc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC1CC[NH+](C)CC1 ZINC000011996676 570713514 /nfs/dbraw/zinc/71/35/14/570713514.db2.gz KGTTWEXYBYZVDT-INIZCTEOSA-N 1 0 368.477 3.659 50 0 FHAARO Cc1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc(C)c1O ZINC000012053899 570715383 /nfs/dbraw/zinc/71/53/83/570715383.db2.gz XTNAKOWNMVUYBC-QFIPXVFZSA-N 1 0 357.469 3.965 50 0 FHAARO O=C(C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2)c1ccccc1 ZINC000012055315 570715437 /nfs/dbraw/zinc/71/54/37/570715437.db2.gz AIVCXMYHGBHWFG-QHCPKHFHSA-N 1 0 368.521 3.764 50 0 FHAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3cccc(C(C)=O)c3)C2)c1 ZINC000012073636 570716626 /nfs/dbraw/zinc/71/66/26/570716626.db2.gz TXKJDCPXMBUMIU-HSZRJFAPSA-N 1 0 367.489 3.715 50 0 FHAARO CC(=O)c1ccc(C(=O)N2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)cc1 ZINC000012297348 570732684 /nfs/dbraw/zinc/73/26/84/570732684.db2.gz KQFPBUSCLGHKAM-NRFANRHFSA-N 1 0 356.510 3.719 50 0 FHAARO CCOC(=O)C1CC[NH+](Cc2cn(C)nc2-c2cccc(Cl)c2)CC1 ZINC000012297552 570732809 /nfs/dbraw/zinc/73/28/09/570732809.db2.gz RNWQYBBULOWDFT-UHFFFAOYSA-N 1 0 361.873 3.516 50 0 FHAARO O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](/C=C/c3ccco3)[N@@H+]3CCC[C@@]123 ZINC000012299118 570733242 /nfs/dbraw/zinc/73/32/42/570733242.db2.gz MAVBURMFNCBOIS-NYVAKELDSA-N 1 0 362.473 3.601 50 0 FHAARO c1nn(-c2ccccn2)c2c1[C@H]([NH2+]Cc1cccc3cnccc31)CCC2 ZINC000012304141 570734273 /nfs/dbraw/zinc/73/42/73/570734273.db2.gz CASUWCWXGRQFBE-HXUWFJFHSA-N 1 0 355.445 3.983 50 0 FHAARO c1nn(-c2ccccn2)c2c1[C@@H]([NH2+]Cc1cccc3cnccc31)CCC2 ZINC000012304143 570734343 /nfs/dbraw/zinc/73/43/43/570734343.db2.gz CASUWCWXGRQFBE-FQEVSTJZSA-N 1 0 355.445 3.983 50 0 FHAARO CCOC(=O)C1(CCOC)CC[NH+]([C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000012302754 570734367 /nfs/dbraw/zinc/73/43/67/570734367.db2.gz SARXXAALOBKCDR-MRXNPFEDSA-N 1 0 367.917 3.953 50 0 FHAARO Cc1ccn2cc(C(=O)N[C@@H]3CCC[N@@H+](C4CCCCCC4)C3)nc2c1 ZINC000012316301 570736274 /nfs/dbraw/zinc/73/62/74/570736274.db2.gz VIAYIUNMGSJGDD-QGZVFWFLSA-N 1 0 354.498 3.560 50 0 FHAARO Cc1nc(CC(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cs1 ZINC000012429551 570744126 /nfs/dbraw/zinc/74/41/26/570744126.db2.gz HRUQJJLMNFCCIP-HXUWFJFHSA-N 1 0 371.550 3.550 50 0 FHAARO Cc1nc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cs1 ZINC000012430467 570744183 /nfs/dbraw/zinc/74/41/83/570744183.db2.gz KYTNTDUWQMXDKW-SFHVURJKSA-N 1 0 357.523 3.621 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3cccc(OC)c3)C2)cc1 ZINC000012591604 570752326 /nfs/dbraw/zinc/75/23/26/570752326.db2.gz JBJFBHVSZNDSCF-JOCHJYFZSA-N 1 0 355.478 3.521 50 0 FHAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3cccs3)nc2c1 ZINC000004359353 570757173 /nfs/dbraw/zinc/75/71/73/570757173.db2.gz BNUOSCSXOJDRIC-UHFFFAOYSA-N 1 0 361.492 3.575 50 0 FHAARO O=C(CSc1ccccc1)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012704979 570757282 /nfs/dbraw/zinc/75/72/82/570757282.db2.gz OKCNCCOLHAAWOK-HXUWFJFHSA-N 1 0 368.546 3.992 50 0 FHAARO Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000012744879 570759230 /nfs/dbraw/zinc/75/92/30/570759230.db2.gz URYNHLLTRYXUGR-QFIPXVFZSA-N 1 0 367.468 3.657 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2oc3c(cccc3F)c2C)[NH+](C)C)cc1 ZINC000032780881 570799306 /nfs/dbraw/zinc/79/93/06/570799306.db2.gz FIQNCDXMRALEIY-SFHVURJKSA-N 1 0 370.424 3.922 50 0 FHAARO Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CC[NH+](C)CC1 ZINC000032843487 570820466 /nfs/dbraw/zinc/82/04/66/570820466.db2.gz SKEIKJXLBPXTMQ-UHFFFAOYSA-N 1 0 367.537 3.902 50 0 FHAARO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1O ZINC000004556437 570834600 /nfs/dbraw/zinc/83/46/00/570834600.db2.gz DNUGRCTXVFHBQZ-KRWDZBQOSA-N 1 0 373.478 3.658 50 0 FHAARO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000032899657 570839393 /nfs/dbraw/zinc/83/93/93/570839393.db2.gz BMNMWIVEBXZKOA-IFMALSPDSA-N 1 0 353.462 3.678 50 0 FHAARO Cn1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(-c2ccccc2)n1 ZINC000179623985 570849505 /nfs/dbraw/zinc/84/95/05/570849505.db2.gz ZBPWCAYNWYXKFA-GOSISDBHSA-N 1 0 372.476 3.509 50 0 FHAARO C[NH+](C)CCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000046721929 570851875 /nfs/dbraw/zinc/85/18/75/570851875.db2.gz DAUFRCLYXJWBMP-UHFFFAOYSA-N 1 0 351.450 3.680 50 0 FHAARO CC(C)[C@@H](CNC(=O)c1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000032914902 570855867 /nfs/dbraw/zinc/85/58/67/570855867.db2.gz WUWJONBMRVNKJU-QGZVFWFLSA-N 1 0 367.331 3.935 50 0 FHAARO Cc1ccc2c(c1)C[N@H+](CCC(=O)N[C@H](C)c1ccc(F)cc1)C[C@@H](C)O2 ZINC000104478519 570859715 /nfs/dbraw/zinc/85/97/15/570859715.db2.gz FARFBMZOBFYIQC-IAGOWNOFSA-N 1 0 370.468 3.985 50 0 FHAARO O=c1oc2cc(Br)ccc2n1C[N@H+](C1CC1)C1CCCC1 ZINC000032923215 570862688 /nfs/dbraw/zinc/86/26/88/570862688.db2.gz QHMJOKLEEIQVIJ-UHFFFAOYSA-N 1 0 351.244 3.722 50 0 FHAARO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000012072507 570889006 /nfs/dbraw/zinc/88/90/06/570889006.db2.gz VRGNYSDDIRYLJO-FQEVSTJZSA-N 1 0 350.453 3.825 50 0 FHAARO Cc1ccc2[nH]c([C@H](C)Nc3cc(C4CC[NH2+]CC4)nc(C)n3)nc2c1 ZINC000046073021 570923733 /nfs/dbraw/zinc/92/37/33/570923733.db2.gz ITUKMDDIQJUPKA-ZDUSSCGKSA-N 1 0 350.470 3.610 50 0 FHAARO Fc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000020997234 570927655 /nfs/dbraw/zinc/92/76/55/570927655.db2.gz IYUQJVKDLWQAPX-FQEVSTJZSA-N 1 0 371.475 3.751 50 0 FHAARO CC[NH+]1CCC(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000047979779 570932786 /nfs/dbraw/zinc/93/27/86/570932786.db2.gz UFNVCLKIJMZPRZ-OAHLLOKOSA-N 1 0 353.919 3.660 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccccc1-n1cccn1 ZINC000048148723 570935459 /nfs/dbraw/zinc/93/54/59/570935459.db2.gz VAVBOVYGYDPPMC-KRWDZBQOSA-N 1 0 355.486 3.648 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccccc1-n1cccn1 ZINC000048148721 570935611 /nfs/dbraw/zinc/93/56/11/570935611.db2.gz VAVBOVYGYDPPMC-QGZVFWFLSA-N 1 0 355.486 3.648 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(F)cc1 ZINC000048280066 570942887 /nfs/dbraw/zinc/94/28/87/570942887.db2.gz UGEYLPSBYMUFRA-LJQANCHMSA-N 1 0 356.445 3.739 50 0 FHAARO CC(C)Oc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000048356144 570950050 /nfs/dbraw/zinc/95/00/50/570950050.db2.gz YHHUABBYIMTDKP-SFHVURJKSA-N 1 0 353.466 3.870 50 0 FHAARO Cc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)o1 ZINC000022851191 570951075 /nfs/dbraw/zinc/95/10/75/570951075.db2.gz GRXLHLPILQGVCQ-FQEVSTJZSA-N 1 0 357.473 3.514 50 0 FHAARO FC(F)Oc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000048682993 570958645 /nfs/dbraw/zinc/95/86/45/570958645.db2.gz OSFFTPOSGUJPIJ-UHFFFAOYSA-N 1 0 373.359 3.697 50 0 FHAARO Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)cc2)n1 ZINC000025329814 570994130 /nfs/dbraw/zinc/99/41/30/570994130.db2.gz AZXMZWTVZZVGGI-LJQANCHMSA-N 1 0 368.506 3.583 50 0 FHAARO C[C@@H]([NH2+]Cc1ccccc1Br)c1ccc(-n2cncn2)cc1 ZINC000025364505 570994931 /nfs/dbraw/zinc/99/49/31/570994931.db2.gz AWIUYBYNAZFIGB-CYBMUJFWSA-N 1 0 357.255 3.881 50 0 FHAARO Cc1[nH]c2ccc(C(=O)NC[C@H](C)[N@@H+]3CCc4ccccc4C3)cc2c1C ZINC000025630329 570998321 /nfs/dbraw/zinc/99/83/21/570998321.db2.gz VNAQAMBMSSVCRJ-HNNXBMFYSA-N 1 0 361.489 3.961 50 0 FHAARO CCCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC000025720734 570999165 /nfs/dbraw/zinc/99/91/65/570999165.db2.gz ZMVWJGHZIBZFMW-OAHLLOKOSA-N 1 0 362.495 3.578 50 0 FHAARO Cc1cccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000027344170 571012022 /nfs/dbraw/zinc/01/20/22/571012022.db2.gz UMTRXLZWTFIHSX-HXUWFJFHSA-N 1 0 372.896 3.981 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000027581597 571014495 /nfs/dbraw/zinc/01/44/95/571014495.db2.gz NLRFBIKLMVNKAM-NRFANRHFSA-N 1 0 370.468 3.856 50 0 FHAARO O=C(COc1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027584235 571015285 /nfs/dbraw/zinc/01/52/85/571015285.db2.gz NQPCVYVELNATOU-GOSISDBHSA-N 1 0 358.507 3.860 50 0 FHAARO Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1C ZINC000027664295 571018091 /nfs/dbraw/zinc/01/80/91/571018091.db2.gz BKJMWUIJQLACHP-SFHVURJKSA-N 1 0 358.507 3.697 50 0 FHAARO c1ccc(-c2nc3nc(-c4ccccc4)nc(N4CCC[NH2+]CC4)c3o2)cc1 ZINC000027985466 571024535 /nfs/dbraw/zinc/02/45/35/571024535.db2.gz SFTOJSVFLJAZCD-UHFFFAOYSA-N 1 0 371.444 3.752 50 0 FHAARO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000028291496 571029924 /nfs/dbraw/zinc/02/99/24/571029924.db2.gz QCTCXEDSTVROGO-SFHVURJKSA-N 1 0 358.507 3.960 50 0 FHAARO COc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000028291489 571030103 /nfs/dbraw/zinc/03/01/03/571030103.db2.gz FQWOHGLQEKFOOE-QGZVFWFLSA-N 1 0 358.507 3.960 50 0 FHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000029118225 571036933 /nfs/dbraw/zinc/03/69/33/571036933.db2.gz KBJJIUNPHBSADN-GOSISDBHSA-N 1 0 363.461 3.776 50 0 FHAARO CC(C)C[C@H](CNC(=O)NCc1ccncc1)[NH2+][C@@H](C)c1ccccc1 ZINC000072289617 571044044 /nfs/dbraw/zinc/04/40/44/571044044.db2.gz XCKBBVGNAKUILG-FXAWDEMLSA-N 1 0 354.498 3.646 50 0 FHAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)[C@H]2CC=CCC2)CC1 ZINC000030253930 571046444 /nfs/dbraw/zinc/04/64/44/571046444.db2.gz YAAYVKKWXYJZNA-AWEZNQCLSA-N 1 0 367.415 3.752 50 0 FHAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)[C@@H]2CC=CCC2)CC1 ZINC000030253931 571046511 /nfs/dbraw/zinc/04/65/11/571046511.db2.gz YAAYVKKWXYJZNA-CQSZACIVSA-N 1 0 367.415 3.752 50 0 FHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(Br)o1 ZINC000008727164 571058183 /nfs/dbraw/zinc/05/81/83/571058183.db2.gz UJORYEURPGHSJL-UHFFFAOYSA-N 1 0 369.303 3.961 50 0 FHAARO O=S(=O)(c1ccc(Nc2ccnc3ccc(F)cc32)cc1)N1CCCC1 ZINC000032607207 571058534 /nfs/dbraw/zinc/05/85/34/571058534.db2.gz HJTODWAGWFSHOW-UHFFFAOYSA-N 1 0 371.437 3.902 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(F)cc1 ZINC000032622331 571058933 /nfs/dbraw/zinc/05/89/33/571058933.db2.gz HWQQVFHDDOIBQV-GOSISDBHSA-N 1 0 353.397 3.513 50 0 FHAARO CCOc1ccc(NC(=O)CC[N@H+](Cc2ccsc2)C2CC2)cc1CO ZINC000072305150 571060758 /nfs/dbraw/zinc/06/07/58/571060758.db2.gz VVBQGHUNKZDJEO-UHFFFAOYSA-N 1 0 374.506 3.632 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000004669111 571060949 /nfs/dbraw/zinc/06/09/49/571060949.db2.gz HBCPLIQRZKIHJN-KRWDZBQOSA-N 1 0 374.488 3.901 50 0 FHAARO CCCCc1nn2c(nc(C[N@H+](CCC)Cc3ccccc3)cc2=O)s1 ZINC000046032186 571061332 /nfs/dbraw/zinc/06/13/32/571061332.db2.gz PWZASGKCQUWHCP-UHFFFAOYSA-N 1 0 370.522 3.906 50 0 FHAARO C[C@H]1C[C@@H](N(C)C(=O)c2cc(C3CC3)on2)CC[N@@H+]1Cc1ccccc1 ZINC000172411879 571064090 /nfs/dbraw/zinc/06/40/90/571064090.db2.gz DDGLSCJMFOJKDB-YJBOKZPZSA-N 1 0 353.466 3.677 50 0 FHAARO Cc1nc(Cc2nnc(SCc3cn4cc(C)ccc4n3)o2)cs1 ZINC000039574439 571065269 /nfs/dbraw/zinc/06/52/69/571065269.db2.gz WPRWKXSZXVDHRP-UHFFFAOYSA-N 1 0 357.464 3.674 50 0 FHAARO Cc1ccc(C2(C(=O)NC3CC[NH+](C4CCCC4)CC3)CCOCC2)cc1 ZINC000177410633 571065583 /nfs/dbraw/zinc/06/55/83/571065583.db2.gz LJQVDLNWIRTSKZ-UHFFFAOYSA-N 1 0 370.537 3.566 50 0 FHAARO COc1cnc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000225850441 571074444 /nfs/dbraw/zinc/07/44/44/571074444.db2.gz LLFZPFBXNAVXPR-AWEZNQCLSA-N 1 0 374.510 3.705 50 0 FHAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cccc(Cl)c1 ZINC000040092539 571075504 /nfs/dbraw/zinc/07/55/04/571075504.db2.gz CNXKRUWGYNLNDA-KRWDZBQOSA-N 1 0 371.912 3.671 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1N1CCCC1)c1cccs1 ZINC000040103780 571076534 /nfs/dbraw/zinc/07/65/34/571076534.db2.gz HXEBYPOWTJUERL-QGZVFWFLSA-N 1 0 358.511 3.773 50 0 FHAARO C[C@H]1CCC[N@H+](CCNC(=O)COc2ccc3oc4ccccc4c3c2)C1 ZINC000040110345 571078542 /nfs/dbraw/zinc/07/85/42/571078542.db2.gz ZCKKCXSLJYWNNT-INIZCTEOSA-N 1 0 366.461 3.813 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2)nc2ccccc21)C1CC1 ZINC000040152084 571086379 /nfs/dbraw/zinc/08/63/79/571086379.db2.gz BXEYOYCEZDHDJY-JOCHJYFZSA-N 1 0 359.473 3.972 50 0 FHAARO COc1ccc(S[C@H](C)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000040153895 571086849 /nfs/dbraw/zinc/08/68/49/571086849.db2.gz JFCVWSWUOJCBTF-CXAGYDPISA-N 1 0 364.536 3.656 50 0 FHAARO COc1ccc(Nc2nc(C)c(N)c(Nc3ccc(OC)cc3)n2)cc1 ZINC000039370704 571088754 /nfs/dbraw/zinc/08/87/54/571088754.db2.gz LKPJAFWKJSDCHZ-UHFFFAOYSA-N 1 0 351.410 3.872 50 0 FHAARO C[NH2+]CCCNCc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040720566 571092058 /nfs/dbraw/zinc/09/20/58/571092058.db2.gz SBYMCEZOGWJFAU-UHFFFAOYSA-N 1 0 362.901 3.935 50 0 FHAARO C[NH2+]CCCNCc1cccc(OC)c1OCc1c(F)cccc1Cl ZINC000040719473 571092129 /nfs/dbraw/zinc/09/21/29/571092129.db2.gz UPXLHYOQXZHFQZ-UHFFFAOYSA-N 1 0 366.864 3.766 50 0 FHAARO Fc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000229516004 571094617 /nfs/dbraw/zinc/09/46/17/571094617.db2.gz MGTNBLMEXLEPLM-VXKWHMMOSA-N 1 0 354.469 3.864 50 0 FHAARO Cc1ccccc1COc1ccc(Br)cc1C[NH2+]CCCO ZINC000040743794 571096175 /nfs/dbraw/zinc/09/61/75/571096175.db2.gz YOMLWFXCXKCMHY-UHFFFAOYSA-N 1 0 364.283 3.809 50 0 FHAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000009118835 571097442 /nfs/dbraw/zinc/09/74/42/571097442.db2.gz CKCJCUHRYMUNAD-UHFFFAOYSA-N 1 0 365.811 3.622 50 0 FHAARO c1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@]34CCOC4)n2)cs1 ZINC000685942152 571102978 /nfs/dbraw/zinc/10/29/78/571102978.db2.gz FGQCMTOVLJGTGR-PXNSSMCTSA-N 1 0 367.474 3.804 50 0 FHAARO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044920028 571104988 /nfs/dbraw/zinc/10/49/88/571104988.db2.gz VAVXMVYVBMOALB-UHFFFAOYSA-N 1 0 352.478 3.614 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)CC1 ZINC000009339284 571105515 /nfs/dbraw/zinc/10/55/15/571105515.db2.gz CWULLCKKOYPBPR-UHFFFAOYSA-N 1 0 355.507 3.631 50 0 FHAARO O=C(NCCOc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303295 571107667 /nfs/dbraw/zinc/10/76/67/571107667.db2.gz ZZKKTMNHHUWHTE-UHFFFAOYSA-N 1 0 372.896 3.747 50 0 FHAARO CSC[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000240551510 571108898 /nfs/dbraw/zinc/10/88/98/571108898.db2.gz GUGYAOFROGZCCM-GFCCVEGCSA-N 1 0 372.328 3.795 50 0 FHAARO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H](OCC)C23CCCC3)cc1 ZINC000241564168 571109920 /nfs/dbraw/zinc/10/99/20/571109920.db2.gz ORYRAXXLYBBTJG-SNRMKQJTSA-N 1 0 360.498 3.740 50 0 FHAARO CC[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)C(C)C ZINC000241969504 571110630 /nfs/dbraw/zinc/11/06/30/571110630.db2.gz UWTJNLBDJUKJNA-BBWFWOEESA-N 1 0 356.432 3.848 50 0 FHAARO C[NH+](C)C1(CNC(=O)c2cc(Br)ccc2F)CCCCCC1 ZINC000012807762 571111572 /nfs/dbraw/zinc/11/15/72/571111572.db2.gz BBBXVTDAKBBLHQ-UHFFFAOYSA-N 1 0 371.294 3.973 50 0 FHAARO C[NH+]1CCC(CCNC(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000072328170 571112542 /nfs/dbraw/zinc/11/25/42/571112542.db2.gz CTAPHEWOQLNYDR-UHFFFAOYSA-N 1 0 350.506 3.934 50 0 FHAARO CC(C)c1nnsc1C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000244602008 571113941 /nfs/dbraw/zinc/11/39/41/571113941.db2.gz DVZVJGBFXYVQBM-AWEZNQCLSA-N 1 0 355.511 3.993 50 0 FHAARO C[NH+](C)C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 ZINC000009578959 571114219 /nfs/dbraw/zinc/11/42/19/571114219.db2.gz PTRWSJDNHNJLLH-OAQYLSRUSA-N 1 0 374.488 3.782 50 0 FHAARO CC(C)n1ccnc1[C@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000244652038 571114287 /nfs/dbraw/zinc/11/42/87/571114287.db2.gz GYQMDHPJWVTJFM-SFHVURJKSA-N 1 0 362.481 3.696 50 0 FHAARO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)c(C)o2)c1 ZINC000244659699 571114377 /nfs/dbraw/zinc/11/43/77/571114377.db2.gz HHJZIIATGRBVSL-MRXNPFEDSA-N 1 0 352.438 3.761 50 0 FHAARO CSc1cccc(C[N@H+](C)CCC(=O)Nc2nnc(C3CC3)s2)c1 ZINC000244723774 571115405 /nfs/dbraw/zinc/11/54/05/571115405.db2.gz MHEULEITMNNPNO-UHFFFAOYSA-N 1 0 362.524 3.598 50 0 FHAARO CCN(Cc1cccnc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055100491 571116616 /nfs/dbraw/zinc/11/66/16/571116616.db2.gz ZBPWXTYNSHDKAJ-JOCHJYFZSA-N 1 0 367.537 3.867 50 0 FHAARO Cc1cccc(NC(=O)CC[NH+]2CCC(CCn3cccn3)CC2)c1C ZINC000244787932 571116662 /nfs/dbraw/zinc/11/66/62/571116662.db2.gz QGMXJDJRGHTLEJ-UHFFFAOYSA-N 1 0 354.498 3.631 50 0 FHAARO C[NH+](C)Cc1cccc(CNC(=O)Nc2nc(-c3ccccc3)ns2)c1 ZINC000055309869 571119209 /nfs/dbraw/zinc/11/92/09/571119209.db2.gz JNJNDOZOCHFPNY-UHFFFAOYSA-N 1 0 367.478 3.588 50 0 FHAARO C[C@H](CO)C[N@H+](Cc1nn(C)c2cccc(Cl)c12)Cc1ccccc1 ZINC000055370812 571119880 /nfs/dbraw/zinc/11/98/80/571119880.db2.gz UPMVYFMMOGCCNW-HNNXBMFYSA-N 1 0 357.885 3.857 50 0 FHAARO Cc1c(NCc2ccccn2)cccc1C(=O)N(C)C[C@H]1CCCC[N@@H+]1C ZINC000055368954 571120023 /nfs/dbraw/zinc/12/00/23/571120023.db2.gz CSNZTCJILPMZDP-LJQANCHMSA-N 1 0 366.509 3.558 50 0 FHAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000009884982 571120463 /nfs/dbraw/zinc/12/04/63/571120463.db2.gz VZYOPRQPUORBGF-NSHDSACASA-N 1 0 366.339 3.551 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1 ZINC000042226037 571120550 /nfs/dbraw/zinc/12/05/50/571120550.db2.gz AWVBFAYTFHLNBP-UHFFFAOYSA-N 1 0 351.429 3.501 50 0 FHAARO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)CC2)c1 ZINC000010055650 571122284 /nfs/dbraw/zinc/12/22/84/571122284.db2.gz JMUUDBFRJZZYLF-LJQANCHMSA-N 1 0 369.534 3.542 50 0 FHAARO CC(=O)Nc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000010093749 571122755 /nfs/dbraw/zinc/12/27/55/571122755.db2.gz AZPQJTGPCAMOES-UHFFFAOYSA-N 1 0 357.498 3.564 50 0 FHAARO CC(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000010281509 571124832 /nfs/dbraw/zinc/12/48/32/571124832.db2.gz GFTBSZXAWFOQOQ-UHFFFAOYSA-N 1 0 365.477 3.561 50 0 FHAARO OCCCC[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000247799813 571125917 /nfs/dbraw/zinc/12/59/17/571125917.db2.gz UPTRQHFNIDCPCQ-UHFFFAOYSA-N 1 0 370.884 3.509 50 0 FHAARO Cc1ccccc1Cn1nc(C[NH2+]C[C@@H]2CCCO2)c(-c2ccccc2)n1 ZINC000248164309 571128307 /nfs/dbraw/zinc/12/83/07/571128307.db2.gz QPQLCUCDNVRJBO-FQEVSTJZSA-N 1 0 362.477 3.570 50 0 FHAARO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000248163195 571128357 /nfs/dbraw/zinc/12/83/57/571128357.db2.gz MRFYOPSNBPJVAS-QGZVFWFLSA-N 1 0 356.514 3.746 50 0 FHAARO Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1NC(=O)CN1CCCCC1 ZINC000058208644 571128788 /nfs/dbraw/zinc/12/87/88/571128788.db2.gz XPFVIAPHZIOQDP-QGZVFWFLSA-N 1 0 355.482 3.714 50 0 FHAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]CCCOc3ccccn3)o2)cc1 ZINC000248381325 571129026 /nfs/dbraw/zinc/12/90/26/571129026.db2.gz STUUBGCLXHLDKO-INIZCTEOSA-N 1 0 352.434 3.954 50 0 FHAARO CC[C@@H]([NH2+]Cc1cc(=O)n2nc(C)sc2n1)C12CC3CC(CC(C3)C1)C2 ZINC000051993291 571129212 /nfs/dbraw/zinc/12/92/12/571129212.db2.gz QWNUXDLTHFSLMA-SJFHUFEGSA-N 1 0 372.538 3.544 50 0 FHAARO Cc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c(C)c1 ZINC000058216292 571129422 /nfs/dbraw/zinc/12/94/22/571129422.db2.gz NDEGFDOMJVCVMB-UHFFFAOYSA-N 1 0 370.518 3.870 50 0 FHAARO Cn1ccnc1CN(C(=O)c1cc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000058227671 571129990 /nfs/dbraw/zinc/12/99/90/571129990.db2.gz RHHAXBIWOBPUDF-UHFFFAOYSA-N 1 0 356.813 3.533 50 0 FHAARO Cc1cc2c(cc1C)CN(c1cccc(C(=O)N3CCC[C@H](C[NH3+])C3)c1)C2 ZINC000252486610 571132607 /nfs/dbraw/zinc/13/26/07/571132607.db2.gz HMMUYIOWPKTTSP-GOSISDBHSA-N 1 0 363.505 3.635 50 0 FHAARO COCCc1noc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)n1 ZINC000252499104 571133275 /nfs/dbraw/zinc/13/32/75/571133275.db2.gz RVNQWDUOFBVVFS-BJWYYQGGSA-N 1 0 359.445 3.617 50 0 FHAARO CC[C@H](NC(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccccc1OC(F)F ZINC000052526921 571146154 /nfs/dbraw/zinc/14/61/54/571146154.db2.gz WAAUDJCZRCGXOQ-ZFWWWQNUSA-N 1 0 355.429 3.523 50 0 FHAARO CSc1nccn1-c1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000052666149 571148390 /nfs/dbraw/zinc/14/83/90/571148390.db2.gz PQQCNLJQTNRDCH-UHFFFAOYSA-N 1 0 366.490 3.908 50 0 FHAARO Cc1noc(C(C)C)c1C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025540758 571148651 /nfs/dbraw/zinc/14/86/51/571148651.db2.gz QVZRBLKJRORIKY-IBGZPJMESA-N 1 0 369.509 3.919 50 0 FHAARO CCOc1ccc(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023016884 571153174 /nfs/dbraw/zinc/15/31/74/571153174.db2.gz FAWWQYZUNYECHJ-UHFFFAOYSA-N 1 0 372.534 3.718 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2)cc1 ZINC000026311140 571160892 /nfs/dbraw/zinc/16/08/92/571160892.db2.gz XFLSLYDNIUFELU-KRWDZBQOSA-N 1 0 360.523 3.876 50 0 FHAARO O[C@@H](C[NH2+]C1CCCCCCC1)COCCOc1ccc(Cl)cc1 ZINC000005867439 571167060 /nfs/dbraw/zinc/16/70/60/571167060.db2.gz ZFAFCMYAUPCOHU-SFHVURJKSA-N 1 0 355.906 3.799 50 0 FHAARO OC[C@@]1(O)CCC[N@H+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000072120880 571170114 /nfs/dbraw/zinc/17/01/14/571170114.db2.gz CVENJRORGGSIBY-GOSISDBHSA-N 1 0 370.276 3.963 50 0 FHAARO COc1ccc(OC2CC[NH+](Cc3cnc(-c4ccco4)nc3)CC2)cc1 ZINC000072130750 571171180 /nfs/dbraw/zinc/17/11/80/571171180.db2.gz YZFSQSSMJZVFMP-UHFFFAOYSA-N 1 0 365.433 3.789 50 0 FHAARO CC(C)Cn1cncc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072134578 571171292 /nfs/dbraw/zinc/17/12/92/571171292.db2.gz ZQMUUDHSCLKZOU-DNVJHFABSA-N 1 0 364.537 3.601 50 0 FHAARO CC(C)[NH2+][C@@H]1CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000072140167 571171919 /nfs/dbraw/zinc/17/19/19/571171919.db2.gz ONTIXTDXMYUNIF-OLZOCXBDSA-N 1 0 368.321 3.983 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)NCc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000575619993 571172384 /nfs/dbraw/zinc/17/23/84/571172384.db2.gz HIIOVRQNKBICCB-QGZVFWFLSA-N 1 0 355.413 3.674 50 0 FHAARO COc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072165433 571176368 /nfs/dbraw/zinc/17/63/68/571176368.db2.gz XKSYHKJRAFLJIT-AWEZNQCLSA-N 1 0 358.869 3.698 50 0 FHAARO COc1cccc(OC[C@@H]2CCC[N@H+](Cc3ccc(O)c(OC)c3)C2)c1 ZINC000072164367 571176473 /nfs/dbraw/zinc/17/64/73/571176473.db2.gz ZQORNXSFFUMLOW-QGZVFWFLSA-N 1 0 357.450 3.700 50 0 FHAARO Cc1nc(C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c2ccccn12 ZINC000072168179 571176986 /nfs/dbraw/zinc/17/69/86/571176986.db2.gz DTYOXKYZWSFLKY-KRWDZBQOSA-N 1 0 359.477 3.974 50 0 FHAARO Cc1nc(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c2ccccn12 ZINC000072168178 571177085 /nfs/dbraw/zinc/17/70/85/571177085.db2.gz DTYOXKYZWSFLKY-QGZVFWFLSA-N 1 0 359.477 3.974 50 0 FHAARO C[C@@H]1Oc2c(cccc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H]1C ZINC000012594064 571187911 /nfs/dbraw/zinc/18/79/11/571187911.db2.gz XKNWBHPDACSULG-VKJFTORMSA-N 1 0 354.450 3.731 50 0 FHAARO C[C@H](CNC(=O)COc1ccc2ccccc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000025634669 571189185 /nfs/dbraw/zinc/18/91/85/571189185.db2.gz YJZFMLGGFFEKEF-GOSISDBHSA-N 1 0 374.484 3.782 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(CCC(C)(C)O)c1)c1ccc(F)cc1 ZINC000072423447 571193989 /nfs/dbraw/zinc/19/39/89/571193989.db2.gz OZNQHHXRYHFOPW-FQEVSTJZSA-N 1 0 372.484 3.562 50 0 FHAARO C[C@H](C1CCN(Cc2c(F)ccc(Cl)c2F)CC1)[NH+]1CCOCC1 ZINC000072427953 571194820 /nfs/dbraw/zinc/19/48/20/571194820.db2.gz XSDGKNLPPPPSHH-CYBMUJFWSA-N 1 0 358.860 3.551 50 0 FHAARO Cc1[nH+]c(CN2CCC([C@@H](O)CCc3ccccc3)CC2)c2ccccn12 ZINC000072433070 571195998 /nfs/dbraw/zinc/19/59/98/571195998.db2.gz VARRULJIESQCMZ-QHCPKHFHSA-N 1 0 363.505 3.848 50 0 FHAARO CN1CCC2(CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)CC2)CCC1=O ZINC000072447375 571197018 /nfs/dbraw/zinc/19/70/18/571197018.db2.gz VVVLOANDDMNEGL-UHFFFAOYSA-N 1 0 372.553 3.615 50 0 FHAARO C[NH+](C)CCN(C(=O)c1ccc(CCC(C)(C)O)cc1)C1CCCCC1 ZINC000072473474 571198584 /nfs/dbraw/zinc/19/85/84/571198584.db2.gz DDZQGEXHLZFVKE-UHFFFAOYSA-N 1 0 360.542 3.727 50 0 FHAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@@H+]3CCC[C@H]3C(N)=O)cc2c1 ZINC000072479221 571199794 /nfs/dbraw/zinc/19/97/94/571199794.db2.gz MOHUEYMXJUENCE-FQEVSTJZSA-N 1 0 363.436 3.799 50 0 FHAARO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000075552512 571199942 /nfs/dbraw/zinc/19/99/42/571199942.db2.gz IFNDZYPMKJWRBP-AWEZNQCLSA-N 1 0 356.499 3.690 50 0 FHAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000075610398 571201147 /nfs/dbraw/zinc/20/11/47/571201147.db2.gz VGUULGAXGWTCAJ-CYBMUJFWSA-N 1 0 353.536 3.684 50 0 FHAARO COc1ccc(C[N@@H+](Cc2cc(=O)n3c(C)csc3n2)CC(C)C)cc1 ZINC000033268818 571203944 /nfs/dbraw/zinc/20/39/44/571203944.db2.gz AOWUGKGGOFXUNA-UHFFFAOYSA-N 1 0 371.506 3.731 50 0 FHAARO O=c1cc(CN2CCc3sccc3[C@@H]2c2ccccc2)nc2ccccn12 ZINC000023039911 571204053 /nfs/dbraw/zinc/20/40/53/571204053.db2.gz WLSFXSUDEHUPFG-QFIPXVFZSA-N 1 0 373.481 3.904 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNc1ncnc2onc(-c3cccc(Cl)c3)c21 ZINC000033269089 571204147 /nfs/dbraw/zinc/20/41/47/571204147.db2.gz OYGIGQGLNGADHK-CQSZACIVSA-N 1 0 357.845 3.834 50 0 FHAARO Cc1ccc(-c2ccc(CN3CC[C@](O)(C[NH+]4CCCCC4)C3)o2)cc1 ZINC000077300535 571206835 /nfs/dbraw/zinc/20/68/35/571206835.db2.gz OYXGPFUCYWTCOS-QFIPXVFZSA-N 1 0 354.494 3.678 50 0 FHAARO Cc1ccc([C@H](NC(=O)N(C)CC[NH+]2CCCC2)c2cccnc2)cc1C ZINC000534636224 571206864 /nfs/dbraw/zinc/20/68/64/571206864.db2.gz WZTQHWDEMNAOEN-NRFANRHFSA-N 1 0 366.509 3.525 50 0 FHAARO CC(C)c1ccc(-c2ccc(C(=O)N3CC([NH+]4CCCCC4)C3)cc2)nn1 ZINC000534640937 571207166 /nfs/dbraw/zinc/20/71/66/571207166.db2.gz JWPMDRTZHIGMFK-UHFFFAOYSA-N 1 0 364.493 3.577 50 0 FHAARO CN(Cc1ccccc1C(F)(F)F)C(=O)NCC1(C[NH+]2CCCC2)CC1 ZINC000534648381 571208255 /nfs/dbraw/zinc/20/82/55/571208255.db2.gz DHPYAYCPHVOUTC-UHFFFAOYSA-N 1 0 369.431 3.723 50 0 FHAARO COCc1c(C)onc1C(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077353562 571208381 /nfs/dbraw/zinc/20/83/81/571208381.db2.gz CTSYFBYRECSWBX-LJQANCHMSA-N 1 0 371.481 3.558 50 0 FHAARO O=C(c1cccc(-c2ccnc3ccccc32)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000534673034 571208660 /nfs/dbraw/zinc/20/86/60/571208660.db2.gz RUYJAJICAHSFNV-LJQANCHMSA-N 1 0 357.457 3.822 50 0 FHAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1 ZINC000534673025 571208760 /nfs/dbraw/zinc/20/87/60/571208760.db2.gz FOQHSKAMJGNONG-QGZVFWFLSA-N 1 0 372.900 3.541 50 0 FHAARO O=C(c1ccc(N2CCCC2)cc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000077457609 571212288 /nfs/dbraw/zinc/21/22/88/571212288.db2.gz LCXCYDAKDCLMJO-UHFFFAOYSA-N 1 0 369.534 3.696 50 0 FHAARO C[C@@H](CC(F)(F)F)[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000097228344 571216387 /nfs/dbraw/zinc/21/63/87/571216387.db2.gz FPXBYKNMENJQSI-YJBOKZPZSA-N 1 0 357.464 3.684 50 0 FHAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000023128006 571217430 /nfs/dbraw/zinc/21/74/30/571217430.db2.gz DMNBOHKBWONAEN-UHFFFAOYSA-N 1 0 356.510 3.824 50 0 FHAARO CC(C)Oc1ccc(C(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023128001 571217447 /nfs/dbraw/zinc/21/74/47/571217447.db2.gz YRGAWFIGNVIXNR-UHFFFAOYSA-N 1 0 356.466 3.709 50 0 FHAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccoc3)C2)CN1CCc1ccccc1 ZINC000082091261 571227891 /nfs/dbraw/zinc/22/78/91/571227891.db2.gz BGNKXPMYGNNLFA-QFIPXVFZSA-N 1 0 352.478 3.727 50 0 FHAARO Cc1c(F)cccc1C[NH+]1CCC(c2nnc(CN(C)C)n2C2CC2)CC1 ZINC000082092458 571227894 /nfs/dbraw/zinc/22/78/94/571227894.db2.gz MUBBGRQCMZKGDI-UHFFFAOYSA-N 1 0 371.504 3.502 50 0 FHAARO CCOc1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)ccc1OC ZINC000082137231 571229016 /nfs/dbraw/zinc/22/90/16/571229016.db2.gz NJVDDIYMNTUNSF-JOCHJYFZSA-N 1 0 374.525 3.707 50 0 FHAARO CC(C)n1c2ccccc2nc1-c1nccn1CC1([NH+](C)C)CCOCC1 ZINC000082135231 571229048 /nfs/dbraw/zinc/22/90/48/571229048.db2.gz RQCQXPAVJJPLJG-UHFFFAOYSA-N 1 0 367.497 3.592 50 0 FHAARO COc1cc(Cl)cc2cc(C(=O)N3CCCC[C@H]([NH+](C)C)C3)oc21 ZINC000082139257 571229329 /nfs/dbraw/zinc/22/93/29/571229329.db2.gz HGGANRICHMQLMP-AWEZNQCLSA-N 1 0 350.846 3.651 50 0 FHAARO Cc1ccc(O)c(-c2cccc(C(=O)N3CCC[C@@]4(CC[N@@H+](C)C4)C3)c2)c1 ZINC000426526454 571230168 /nfs/dbraw/zinc/23/01/68/571230168.db2.gz PWOYTHPSGMPUBO-QHCPKHFHSA-N 1 0 364.489 3.926 50 0 FHAARO CCn1cc(C[N@H+](C)Cc2ccc(OCc3ccccn3)cc2)c(C)n1 ZINC000426529252 571230416 /nfs/dbraw/zinc/23/04/16/571230416.db2.gz IUICLFLJTODCDY-UHFFFAOYSA-N 1 0 350.466 3.817 50 0 FHAARO Cc1ccc(-c2ccc(C(=O)N(C)Cc3ccc4c(c3)C[N@@H+](C)C4)cc2)nn1 ZINC000426621530 571233560 /nfs/dbraw/zinc/23/35/60/571233560.db2.gz BJTIUWWEKVYADB-UHFFFAOYSA-N 1 0 372.472 3.670 50 0 FHAARO O=C(NCC[C@@H]1CCCC[NH2+]1)c1cccc(-c2cc(O)c(F)c(F)c2)c1 ZINC000426658487 571234450 /nfs/dbraw/zinc/23/44/50/571234450.db2.gz UMBHDGSZPMPCKT-INIZCTEOSA-N 1 0 360.404 3.599 50 0 FHAARO CN(C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccco1 ZINC000426662391 571234572 /nfs/dbraw/zinc/23/45/72/571234572.db2.gz WHNPDIAMWZHGRK-FQEVSTJZSA-N 1 0 369.509 3.688 50 0 FHAARO CCC(=O)c1cccc(-c2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2)c1 ZINC000426683750 571234987 /nfs/dbraw/zinc/23/49/87/571234987.db2.gz GOEKKRGZMSJVOJ-HXUWFJFHSA-N 1 0 350.462 3.900 50 0 FHAARO CC(C)c1noc([C@H]2CCC[N@H+](Cc3cc(=O)c4cccc(F)c4[nH]3)C2)n1 ZINC000091304739 571238751 /nfs/dbraw/zinc/23/87/51/571238751.db2.gz IMYMASDLCHCTQI-ZDUSSCGKSA-N 1 0 370.428 3.966 50 0 FHAARO O=C(c1ccncc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000091350651 571239223 /nfs/dbraw/zinc/23/92/23/571239223.db2.gz AOCUBXXOCFABST-VQIMIIECSA-N 1 0 361.445 3.564 50 0 FHAARO O=C(C1CCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc3cc(F)ccc3n2)C1 ZINC000091416560 571239515 /nfs/dbraw/zinc/23/95/15/571239515.db2.gz FHQXMFURENSEJJ-FOIQADDNSA-N 1 0 367.468 3.597 50 0 FHAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1O ZINC000006654912 571239567 /nfs/dbraw/zinc/23/95/67/571239567.db2.gz BZYPFOJGBZDNAZ-QGZVFWFLSA-N 1 0 373.478 3.659 50 0 FHAARO COc1ccc(C[N@H+](CC(C)C)C[C@H](O)COCc2ccccc2)cc1 ZINC000036095162 571240668 /nfs/dbraw/zinc/24/06/68/571240668.db2.gz JXVZNAIBSIOLKI-NRFANRHFSA-N 1 0 357.494 3.731 50 0 FHAARO CC[C@H](C)[N@@H+](Cc1cccn1C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036098153 571241014 /nfs/dbraw/zinc/24/10/14/571241014.db2.gz AAQZKWCVEUMXET-YJBOKZPZSA-N 1 0 350.890 3.719 50 0 FHAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1cccc(Cl)c1Cl)C2 ZINC000091657130 571242014 /nfs/dbraw/zinc/24/20/14/571242014.db2.gz PKZKZWKNPKOMAN-CHWSQXEVSA-N 1 0 372.296 3.568 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ncoc3C)CC2)C1 ZINC000091693924 571242491 /nfs/dbraw/zinc/24/24/91/571242491.db2.gz JEZONQFNQUOOJI-IBGZPJMESA-N 1 0 367.493 3.715 50 0 FHAARO Cc1cccc(C[NH+]2CCC(CNc3c(=O)c(=O)c3-c3ccccc3)CC2)c1 ZINC000006749171 571244782 /nfs/dbraw/zinc/24/47/82/571244782.db2.gz REVASWHPCFJFKC-UHFFFAOYSA-N 1 0 374.484 3.582 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1cccn1C ZINC000036341911 571248414 /nfs/dbraw/zinc/24/84/14/571248414.db2.gz UPUHMZVBWJOGKZ-OAQYLSRUSA-N 1 0 366.509 3.661 50 0 FHAARO O=C(C[NH+]1CCCC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000036341268 571248438 /nfs/dbraw/zinc/24/84/38/571248438.db2.gz GNGYEICBTLANOE-HXUWFJFHSA-N 1 0 369.415 3.738 50 0 FHAARO Cn1c2ncccc2nc1[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000065285299 571260017 /nfs/dbraw/zinc/26/00/17/571260017.db2.gz IQBUZIUDVQJYDL-CQSZACIVSA-N 1 0 360.383 3.977 50 0 FHAARO COc1ccc([C@@H](NC(=O)C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000007424421 571265352 /nfs/dbraw/zinc/26/53/52/571265352.db2.gz OPMPDPRHOQSZED-QFIPXVFZSA-N 1 0 352.478 3.777 50 0 FHAARO C[N@H+](Cc1ccc(Br)cc1F)[C@@](C)(CO)c1ccccc1 ZINC000170603274 571267171 /nfs/dbraw/zinc/26/71/71/571267171.db2.gz NYJDAKYUGBPFBB-KRWDZBQOSA-N 1 0 352.247 3.928 50 0 FHAARO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc(C)c1O ZINC000170629330 571269551 /nfs/dbraw/zinc/26/95/51/571269551.db2.gz HIBAQDQUMBUCKH-IBGZPJMESA-N 1 0 370.468 3.677 50 0 FHAARO Cc1csc(=O)n1CC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000089702601 571272588 /nfs/dbraw/zinc/27/25/88/571272588.db2.gz QGWCBAJUBCBNBX-UHFFFAOYSA-N 1 0 356.413 3.902 50 0 FHAARO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1c(Cl)cccc1N1CCCC1)CC2 ZINC000089893735 571273934 /nfs/dbraw/zinc/27/39/34/571273934.db2.gz ZLPNXMSSRCDJJT-OAHLLOKOSA-N 1 0 373.932 3.760 50 0 FHAARO C[NH+]1CCC(C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)CC1 ZINC000076060844 571274032 /nfs/dbraw/zinc/27/40/32/571274032.db2.gz KRVWMRNHGNCCOL-UHFFFAOYSA-N 1 0 352.413 3.649 50 0 FHAARO c1c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)onc1-c1ccccc1 ZINC000076395774 571275242 /nfs/dbraw/zinc/27/52/42/571275242.db2.gz RNRPSHBTBBNLCS-KRWDZBQOSA-N 1 0 359.433 3.764 50 0 FHAARO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000252510850 571281637 /nfs/dbraw/zinc/28/16/37/571281637.db2.gz CGGFREDLBDXSKV-SIVJFFJCSA-N 1 0 374.706 3.873 50 0 FHAARO Cc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c(C)c1C ZINC000007616072 571284216 /nfs/dbraw/zinc/28/42/16/571284216.db2.gz PZSGYFKDQCNIIA-UHFFFAOYSA-N 1 0 352.544 3.508 50 0 FHAARO O=C(NC1(c2ccccc2Cl)CC1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000584894232 571315053 /nfs/dbraw/zinc/31/50/53/571315053.db2.gz CHGUAAJAVVBXKO-INIZCTEOSA-N 1 0 361.917 3.989 50 0 FHAARO C[NH+](C)CC[C@@H](NC(=O)N(Cc1cccc(O)c1)C1CC1)c1ccccc1 ZINC000584897908 571315767 /nfs/dbraw/zinc/31/57/67/571315767.db2.gz MNDRJXQMXKBDOM-OAQYLSRUSA-N 1 0 367.493 3.759 50 0 FHAARO COc1ccc(CN(C)C(=O)CN2CC=C(c3ccccc3)CC2)cc1F ZINC000009377550 571321206 /nfs/dbraw/zinc/32/12/06/571321206.db2.gz PVJJUPHTGPIAMT-UHFFFAOYSA-N 1 0 368.452 3.582 50 0 FHAARO Cn1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc2cc(Cl)ccc21 ZINC000079189580 571327229 /nfs/dbraw/zinc/32/72/29/571327229.db2.gz CPPBIVWZZPNGIJ-KBXCAEBGSA-N 1 0 359.901 3.826 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cccc(F)c1 ZINC000095115881 571328682 /nfs/dbraw/zinc/32/86/82/571328682.db2.gz LZWIJVREIPKQQE-GOSISDBHSA-N 1 0 359.470 3.907 50 0 FHAARO CC(C)(C)NC(=O)NCC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000095452739 571329970 /nfs/dbraw/zinc/32/99/70/571329970.db2.gz XGOVBSKESWZFHM-HNNXBMFYSA-N 1 0 367.921 3.529 50 0 FHAARO C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000095995889 571333616 /nfs/dbraw/zinc/33/36/16/571333616.db2.gz PFOMGEWYUKZWKV-SJCJKPOMSA-N 1 0 371.308 3.894 50 0 FHAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000095996298 571333642 /nfs/dbraw/zinc/33/36/42/571333642.db2.gz NJPVPHULKXWQDZ-OLMNPRSZSA-N 1 0 364.534 3.514 50 0 FHAARO c1cc2c(cc1CCN1CCC[N@H+](CC3CCCCC3)CC1)OCCO2 ZINC000096007714 571333905 /nfs/dbraw/zinc/33/39/05/571333905.db2.gz RPHVYLVPGZXXOW-UHFFFAOYSA-N 1 0 358.526 3.588 50 0 FHAARO CC(C)n1cnnc1C1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000097076568 571336809 /nfs/dbraw/zinc/33/68/09/571336809.db2.gz SUOKIRCWGUZAAX-UHFFFAOYSA-N 1 0 356.499 3.690 50 0 FHAARO COCCN(C(=S)Nc1ccccc1Cl)C1CC[NH+](C(C)C)CC1 ZINC000002933440 571341920 /nfs/dbraw/zinc/34/19/20/571341920.db2.gz OBSKIZCOCCBUSU-UHFFFAOYSA-N 1 0 369.962 3.858 50 0 FHAARO C[NH+](C)Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000057207767 571342385 /nfs/dbraw/zinc/34/23/85/571342385.db2.gz WXJAQAFJAYBMFX-UHFFFAOYSA-N 1 0 356.441 3.574 50 0 FHAARO Cc1nc(C)c([C@H](C)NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000057285355 571342456 /nfs/dbraw/zinc/34/24/56/571342456.db2.gz QOSMONCHVBIBKX-HNNXBMFYSA-N 1 0 372.538 3.916 50 0 FHAARO C[C@H]1CCC[C@H](C)[NH+]1CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003189762 571345340 /nfs/dbraw/zinc/34/53/40/571345340.db2.gz STTINUWGALUHJH-KBPBESRZSA-N 1 0 358.935 3.660 50 0 FHAARO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000057919555 571346110 /nfs/dbraw/zinc/34/61/10/571346110.db2.gz GOSQFACWEPPIDR-INIZCTEOSA-N 1 0 362.477 3.743 50 0 FHAARO O[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)Cn1c2ccccc2c2ccccc21 ZINC000003268724 571346444 /nfs/dbraw/zinc/34/64/44/571346444.db2.gz JBUNXWMRSNIERK-KRWDZBQOSA-N 1 0 374.440 3.674 50 0 FHAARO CCN(CC[NH2+]C[C@H](O)COc1ccccc1C(C)C)c1cccc(C)c1 ZINC000003349425 571348044 /nfs/dbraw/zinc/34/80/44/571348044.db2.gz PMGIEVRUTMTUOI-NRFANRHFSA-N 1 0 370.537 3.974 50 0 FHAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cnoc1-c1ccccc1 ZINC000670444736 571349965 /nfs/dbraw/zinc/34/99/65/571349965.db2.gz IRSAAEIUISAJJT-INIZCTEOSA-N 1 0 361.445 3.518 50 0 FHAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000670444251 571350151 /nfs/dbraw/zinc/35/01/51/571350151.db2.gz DUVUFTBFXQKEBH-SFHVURJKSA-N 1 0 361.489 3.625 50 0 FHAARO Cc1ccc([C@@H](c2c([O-])[nH]c(=S)[nH]c2=O)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000003911979 571353253 /nfs/dbraw/zinc/35/32/53/571353253.db2.gz HICIHGDXSBSXIG-ZENOOKHLSA-N 1 0 359.495 3.514 50 0 FHAARO Cc1ccc(-c2cccc(C[NH+]3CCC([C@H](O)c4nccn4C)CC3)c2)o1 ZINC000670457022 571354948 /nfs/dbraw/zinc/35/49/48/571354948.db2.gz YHSOVQAEPMYNNL-NRFANRHFSA-N 1 0 365.477 3.934 50 0 FHAARO CCc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000004315072 571357848 /nfs/dbraw/zinc/35/78/48/571357848.db2.gz QQTKNRZNTFRPOX-UHFFFAOYSA-N 1 0 362.477 3.943 50 0 FHAARO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000008003549 571358349 /nfs/dbraw/zinc/35/83/49/571358349.db2.gz MKZKBMOXONEBFG-NRFANRHFSA-N 1 0 369.465 3.579 50 0 FHAARO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)c(OC)c1 ZINC000008072768 571358817 /nfs/dbraw/zinc/35/88/17/571358817.db2.gz IWSGMTXDSRTZTL-IBGZPJMESA-N 1 0 354.450 3.652 50 0 FHAARO Cn1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc2cc(F)ccc21 ZINC000072404741 931634257 /nfs/dbraw/zinc/63/42/57/931634257.db2.gz QITYFZOYZLZVLA-UHFFFAOYSA-N 1 0 365.452 3.712 50 0 FHAARO Cc1nn(C)c(Cl)c1CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000023373878 940291454 /nfs/dbraw/zinc/29/14/54/940291454.db2.gz JXCNRWBUVIOABZ-MRXNPFEDSA-N 1 0 364.896 3.617 50 0 FHAARO CN(Cc1ccccc1)C1(C[NH2+]Cc2cccnc2)Cc2ccccc2C1 ZINC000023374873 940296857 /nfs/dbraw/zinc/29/68/57/940296857.db2.gz NUJQGWCYIUOMPX-UHFFFAOYSA-N 1 0 357.501 3.841 50 0 FHAARO COc1cccc2c1CCC[C@@H]2[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000194962054 940335409 /nfs/dbraw/zinc/33/54/09/940335409.db2.gz DYICOKUTUWKVTN-DHHCDUQHSA-N 1 0 352.478 3.888 50 0 FHAARO c1ccc(-c2nc(C3CC3)no2)c(O[C@@H]2CC[N@@H+](Cc3ccncc3)C2)c1 ZINC000581790078 940600935 /nfs/dbraw/zinc/60/09/35/940600935.db2.gz JDOIRWBHZKNDBQ-QGZVFWFLSA-N 1 0 362.433 3.662 50 0 FHAARO COc1ccc(C(=O)N2CCC(Cn3c(C)c[nH+]c3C3CC3)CC2)cc1 ZINC000581808505 940617145 /nfs/dbraw/zinc/61/71/45/940617145.db2.gz SXIDWNRDKFNKBX-UHFFFAOYSA-N 1 0 353.466 3.630 50 0 FHAARO O=C(Nc1ccccc1F)N1CC(F)(F)C[C@H]1C[NH+]1CCCCCC1 ZINC000257174499 942462315 /nfs/dbraw/zinc/46/23/15/942462315.db2.gz HQQKHSPBJJTSHO-AWEZNQCLSA-N 1 0 355.404 3.943 50 0 FHAARO COc1cc(C[NH+]2CCC3(C[C@@H]3c3noc(C)n3)CC2)ccc1OC(C)C ZINC000257183518 942577368 /nfs/dbraw/zinc/57/73/68/942577368.db2.gz HONRCNNJDIGPQL-QGZVFWFLSA-N 1 0 371.481 3.944 50 0 FHAARO CC(C)n1ncc2cc(C[N@@H+]3CC[C@H](Oc4cccc(F)c4)C3)cnc21 ZINC000183371809 942866075 /nfs/dbraw/zinc/86/60/75/942866075.db2.gz ZYWVBBIWDSTSLD-IBGZPJMESA-N 1 0 354.429 3.805 50 0 FHAARO CS(=O)(=O)Nc1cccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)c1 ZINC000330675111 944371504 /nfs/dbraw/zinc/37/15/04/944371504.db2.gz GXNUEERFRUBXNE-UHFFFAOYSA-N 1 0 364.433 3.516 50 0 FHAARO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000047206751 945018285 /nfs/dbraw/zinc/01/82/85/945018285.db2.gz NSVKBNHXOLCSKB-HXUWFJFHSA-N 1 0 368.477 3.661 50 0 FHAARO C[N@H+](CCC1CCOCC1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000120586263 945617462 /nfs/dbraw/zinc/61/74/62/945617462.db2.gz ADYXNCONGDQVLM-SFHVURJKSA-N 1 0 350.890 3.584 50 0 FHAARO COc1ccc2[nH]c(C(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2c1 ZINC000888088216 947933336 /nfs/dbraw/zinc/93/33/36/947933336.db2.gz GWXLEWZHYUCFIN-FOIQADDNSA-N 1 0 355.482 3.513 50 0 FHAARO C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000888099975 948443256 /nfs/dbraw/zinc/44/32/56/948443256.db2.gz MEYLISHTMJPDFH-KBPBESRZSA-N 1 0 357.420 3.798 50 0 FHAARO CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(c2ccnc(C)n2)CC1 ZINC000299778771 529620596 /nfs/dbraw/zinc/62/05/96/529620596.db2.gz HLDRQSOIPRPQHY-HXUWFJFHSA-N 1 0 352.482 3.690 50 0 FHAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1 ZINC000299740417 529992839 /nfs/dbraw/zinc/99/28/39/529992839.db2.gz ZNYWRBHAQCQTTN-ZDUSSCGKSA-N 1 0 362.832 3.953 50 0 FHAARO Cc1nc2ncccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1 ZINC000000853359 219330729 /nfs/dbraw/zinc/33/07/29/219330729.db2.gz NJCQFHQYXWXMMF-UHFFFAOYSA-N 1 0 350.451 3.971 50 0 FHAARO CCOc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000002966389 219478613 /nfs/dbraw/zinc/47/86/13/219478613.db2.gz FOPCUZVPRYNMAT-OAQYLSRUSA-N 1 0 371.888 3.999 50 0 FHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2Cc2ccc(C)c(F)c2)C1 ZINC000244882863 222942799 /nfs/dbraw/zinc/94/27/99/222942799.db2.gz YASFMWSECJYFRE-SFHVURJKSA-N 1 0 354.469 3.797 50 0 FHAARO COc1ccc2c(cc(C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2C)c1 ZINC000253404334 222984449 /nfs/dbraw/zinc/98/44/49/222984449.db2.gz HUJWQADYHQDGFP-OXJNMPFZSA-N 1 0 369.509 3.523 50 0 FHAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cncc(Br)c1 ZINC000008734833 219868041 /nfs/dbraw/zinc/86/80/41/219868041.db2.gz JYZZAFNREZCMHI-UHFFFAOYSA-N 1 0 360.255 3.692 50 0 FHAARO O=C1C[C@H](C[NH+]2CCC(c3cccc(O)c3)CC2)CN1c1ccccc1 ZINC000299758050 223083374 /nfs/dbraw/zinc/08/33/74/223083374.db2.gz LADGWXWPYMHZGH-QGZVFWFLSA-N 1 0 350.462 3.625 50 0 FHAARO O=C(Nc1ccccc1OCCCc1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000299785256 223096980 /nfs/dbraw/zinc/09/69/80/223096980.db2.gz YONLPVJADGKGID-AZUAARDMSA-N 1 0 365.477 3.524 50 0 FHAARO C[C@@H](CCC(=O)NCc1cccc(Oc2ccccc2)c1)[NH+]1CCOCC1 ZINC000299773936 223090088 /nfs/dbraw/zinc/09/00/88/223090088.db2.gz GRZGZWZYRZETNI-SFHVURJKSA-N 1 0 368.477 3.596 50 0 FHAARO O=C(CC[NH+]1CCCCCCC1)NCc1cc(-c2ccc(F)cc2)no1 ZINC000299780793 223093613 /nfs/dbraw/zinc/09/36/13/223093613.db2.gz BYZGANPFFNVDLE-UHFFFAOYSA-N 1 0 359.445 3.753 50 0 FHAARO O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000299780397 223093805 /nfs/dbraw/zinc/09/38/05/223093805.db2.gz CGZMRYCTNLCVGX-MRXNPFEDSA-N 1 0 354.416 3.771 50 0 FHAARO COc1ccc([C@@H](NC(=O)CC[NH+]2CCCCCC2)c2ccncc2)cc1 ZINC000299789444 223098367 /nfs/dbraw/zinc/09/83/67/223098367.db2.gz XEZVPCSBPJELCZ-JOCHJYFZSA-N 1 0 367.493 3.562 50 0 FHAARO O=C(Nc1cccc(-c2ccco2)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000299794016 223100128 /nfs/dbraw/zinc/10/01/28/223100128.db2.gz JCOQDSHZVKDIGW-IBGZPJMESA-N 1 0 369.465 3.712 50 0 FHAARO Cc1cc(=O)[nH]c(C)c1C(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000299799802 223103596 /nfs/dbraw/zinc/10/35/96/223103596.db2.gz STCPBWCCUWCLOF-IBGZPJMESA-N 1 0 367.493 3.579 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000010220098 219895973 /nfs/dbraw/zinc/89/59/73/219895973.db2.gz QJANQBNDJLFZFJ-HXUWFJFHSA-N 1 0 370.880 3.556 50 0 FHAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1)N1CCCC1 ZINC000011754260 219931281 /nfs/dbraw/zinc/93/12/81/219931281.db2.gz YNOOKFVCDVGKQF-SFHVURJKSA-N 1 0 351.494 3.849 50 0 FHAARO CCC(CC)C(=O)NC[C@H](C)Oc1cccc(C[NH+]2CCSCC2)c1 ZINC000012149648 219961655 /nfs/dbraw/zinc/96/16/55/219961655.db2.gz FYPMRCOXXVTDIP-INIZCTEOSA-N 1 0 364.555 3.555 50 0 FHAARO CN(C)c1ncc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)s1 ZINC000012432559 219993759 /nfs/dbraw/zinc/99/37/59/219993759.db2.gz VNNWNKSLGUXDJI-UHFFFAOYSA-N 1 0 373.566 3.807 50 0 FHAARO CN(C)c1ccc(CCC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000012434693 219994629 /nfs/dbraw/zinc/99/46/29/219994629.db2.gz JNCALDWCLWBGJZ-HXUWFJFHSA-N 1 0 371.569 3.989 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)c(OC)c1 ZINC000012476602 220000181 /nfs/dbraw/zinc/00/01/81/220000181.db2.gz XWTIAWGJSMPMQN-QHCPKHFHSA-N 1 0 369.505 3.911 50 0 FHAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)c1ccc(F)cc1 ZINC000012571010 220008695 /nfs/dbraw/zinc/00/86/95/220008695.db2.gz LOIPVPXNNPCHSF-UHFFFAOYSA-N 1 0 372.459 3.992 50 0 FHAARO COc1ccccc1C(=O)N(CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000012575496 220009049 /nfs/dbraw/zinc/00/90/49/220009049.db2.gz MKGXWVGLIXIVCT-FQEVSTJZSA-N 1 0 366.505 3.722 50 0 FHAARO COCc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)o1 ZINC000012576246 220009083 /nfs/dbraw/zinc/00/90/83/220009083.db2.gz PDGMSYHFNLIRGD-IBGZPJMESA-N 1 0 370.493 3.595 50 0 FHAARO COc1cccc(OC)c1CN1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000012575160 220009648 /nfs/dbraw/zinc/00/96/48/220009648.db2.gz OAIOPOVDLCMOHN-JOCHJYFZSA-N 1 0 358.526 3.792 50 0 FHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000012590546 220010384 /nfs/dbraw/zinc/01/03/84/220010384.db2.gz UVAMLSSOXUVORU-OAHLLOKOSA-N 1 0 361.511 3.792 50 0 FHAARO O=C(c1ccc(OC2CC[NH+]([C@@H]3CCSC3)CC2)cc1)N1CCCCC1 ZINC000012597754 220012259 /nfs/dbraw/zinc/01/22/59/220012259.db2.gz IZVBWLPDPVRXSJ-GOSISDBHSA-N 1 0 374.550 3.661 50 0 FHAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3ccc(F)c(OC)c3)C2)c1 ZINC000012596586 220012558 /nfs/dbraw/zinc/01/25/58/220012558.db2.gz ASMYDWGUXRBNRG-JOCHJYFZSA-N 1 0 373.468 3.660 50 0 FHAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c(OC)c1 ZINC000012716606 220020970 /nfs/dbraw/zinc/02/09/70/220020970.db2.gz VIZRBIPQRDMKNH-SFHVURJKSA-N 1 0 353.462 3.841 50 0 FHAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1cscn1 ZINC000012714028 220020990 /nfs/dbraw/zinc/02/09/90/220020990.db2.gz AQXXTWHYYIDSSW-UHFFFAOYSA-N 1 0 371.550 3.868 50 0 FHAARO O=C(CCC1CC[NH+](C2CCOCC2)CC1)Nc1ccccc1Cl ZINC000012719039 220022152 /nfs/dbraw/zinc/02/21/52/220022152.db2.gz QUJZEWLEYWDPLB-UHFFFAOYSA-N 1 0 350.890 3.950 50 0 FHAARO COCC[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000012710030 220019782 /nfs/dbraw/zinc/01/97/82/220019782.db2.gz ZOOMWBZDPDNZNF-SFHVURJKSA-N 1 0 356.432 3.640 50 0 FHAARO CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)c(C)n1 ZINC000012712190 220019904 /nfs/dbraw/zinc/01/99/04/220019904.db2.gz MYPHROJFUCQNJH-SFHVURJKSA-N 1 0 355.482 3.705 50 0 FHAARO O=C(CC[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000012769825 220027589 /nfs/dbraw/zinc/02/75/89/220027589.db2.gz FXNLVJMSUNCOMU-UHFFFAOYSA-N 1 0 362.473 3.999 50 0 FHAARO O=C(c1ccc2ncsc2c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000012820401 220033816 /nfs/dbraw/zinc/03/38/16/220033816.db2.gz CARSWQGENITYAF-UHFFFAOYSA-N 1 0 351.475 3.644 50 0 FHAARO C[N@H+](CCOc1ccccc1Cl)Cc1cc(=O)oc2cc(O)ccc12 ZINC000012854769 220035595 /nfs/dbraw/zinc/03/55/95/220035595.db2.gz UWJKDBVMKLUBQV-UHFFFAOYSA-N 1 0 359.809 3.663 50 0 FHAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012925377 220044291 /nfs/dbraw/zinc/04/42/91/220044291.db2.gz SDCXUNHXNGMWEB-UHFFFAOYSA-N 1 0 355.526 3.729 50 0 FHAARO O=C(NCCc1cccs1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000012984974 220049290 /nfs/dbraw/zinc/04/92/90/220049290.db2.gz HAENQEZTGMBCMG-UHFFFAOYSA-N 1 0 357.523 3.776 50 0 FHAARO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)N1CCc2ccccc2C1 ZINC000012999464 220050963 /nfs/dbraw/zinc/05/09/63/220050963.db2.gz BYQIYYMCNVPRJX-UHFFFAOYSA-N 1 0 373.500 3.932 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000013013653 220054010 /nfs/dbraw/zinc/05/40/10/220054010.db2.gz XXBUFDGHBYMMAV-QGZVFWFLSA-N 1 0 359.470 3.907 50 0 FHAARO O=C(Nc1cccc(Cl)c1Cl)N1CCN(Cc2ccccn2)CC1 ZINC000013325057 220063589 /nfs/dbraw/zinc/06/35/89/220063589.db2.gz HFHKECQDVAIPAQ-UHFFFAOYSA-N 1 0 365.264 3.738 50 0 FHAARO Cn1cc(C[N@H+](CCO)Cc2cccs2)c(-c2cccc(Cl)c2)n1 ZINC000013593449 220077454 /nfs/dbraw/zinc/07/74/54/220077454.db2.gz UQHLCJBGNFXAFS-UHFFFAOYSA-N 1 0 361.898 3.797 50 0 FHAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)c1 ZINC000013595521 220077729 /nfs/dbraw/zinc/07/77/29/220077729.db2.gz HVXNIIQYPDBWGY-MRXNPFEDSA-N 1 0 353.418 3.519 50 0 FHAARO c1csc(C[NH2+]Cc2cccc(Oc3nnnn3-c3ccccc3)c2)c1 ZINC000013717643 220088965 /nfs/dbraw/zinc/08/89/65/220088965.db2.gz PWLWDFYQXIFTNR-UHFFFAOYSA-N 1 0 363.446 3.806 50 0 FHAARO Cc1ccc(COc2cccc(C[NH2+]CCCN3CCCC3=O)c2)cc1 ZINC000013727964 220090584 /nfs/dbraw/zinc/09/05/84/220090584.db2.gz NFHYOAPQJMFFFL-UHFFFAOYSA-N 1 0 352.478 3.676 50 0 FHAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731329 220090650 /nfs/dbraw/zinc/09/06/50/220090650.db2.gz JERYNNPHJPFSOF-UHFFFAOYSA-N 1 0 356.466 3.909 50 0 FHAARO CCOc1cc(C[NH2+]C(C)(C)CC)ccc1OCC(=O)NC(C)(C)C ZINC000013724847 220090863 /nfs/dbraw/zinc/09/08/63/220090863.db2.gz RSGVRNNYIYOFOC-UHFFFAOYSA-N 1 0 350.503 3.657 50 0 FHAARO CCCCCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C(=O)OCC)cc1 ZINC000014094904 220106771 /nfs/dbraw/zinc/10/67/71/220106771.db2.gz VVXQWQNIIRTXJZ-SJLPKXTDSA-N 1 0 351.487 3.552 50 0 FHAARO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 ZINC000014183760 220113427 /nfs/dbraw/zinc/11/34/27/220113427.db2.gz RGXSHXILSFYWEI-CQSZACIVSA-N 1 0 369.465 3.505 50 0 FHAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@H](C)c2ccccc2)c1 ZINC000014880478 220133973 /nfs/dbraw/zinc/13/39/73/220133973.db2.gz NQKXXJGVFTULJY-GHTZIAJQSA-N 1 0 366.505 3.970 50 0 FHAARO O=C(c1ccco1)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000014979031 220139151 /nfs/dbraw/zinc/13/91/51/220139151.db2.gz GNCDWXCVURRSMW-MRXNPFEDSA-N 1 0 374.431 3.932 50 0 FHAARO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCC(=O)NCCC1=CCCCC1)C2 ZINC000014989244 220140216 /nfs/dbraw/zinc/14/02/16/220140216.db2.gz LHOQURZIGKVJPP-QGZVFWFLSA-N 1 0 372.509 3.675 50 0 FHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)N[C@@H]1CCc3ccccc31)C[C@H](C)O2 ZINC000015006795 220140600 /nfs/dbraw/zinc/14/06/00/220140600.db2.gz HEKVYKQLHIMKBV-LAUBAEHRSA-N 1 0 364.489 3.772 50 0 FHAARO Cc1cccc(Cn2c3cc(C)ccc3cc(C[NH2+]C(C)(C)CO)c2=O)c1 ZINC000014999177 220140625 /nfs/dbraw/zinc/14/06/25/220140625.db2.gz FWATTYBUTRRNIM-UHFFFAOYSA-N 1 0 364.489 3.527 50 0 FHAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1)Nc1ccccc1F ZINC000015075580 220146182 /nfs/dbraw/zinc/14/61/82/220146182.db2.gz KBTWQXIBHAMNKB-HNNXBMFYSA-N 1 0 360.429 3.542 50 0 FHAARO O=C(c1ccoc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000015067600 220143840 /nfs/dbraw/zinc/14/38/40/220143840.db2.gz HKNCDVCLYKOFLE-FQEVSTJZSA-N 1 0 360.404 3.686 50 0 FHAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ccc(C)o3)C2)cc1 ZINC000015070634 220145455 /nfs/dbraw/zinc/14/54/55/220145455.db2.gz LSXVVCCMILNBQX-HXUWFJFHSA-N 1 0 356.510 3.983 50 0 FHAARO O=C(c1cnn(-c2cccc(Cl)c2)c1C1CC[NH2+]CC1)N1CCCCC1 ZINC000015722092 220162111 /nfs/dbraw/zinc/16/21/11/220162111.db2.gz RQJJBTBAUYLXPN-UHFFFAOYSA-N 1 0 372.900 3.619 50 0 FHAARO CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1cc(C)cc(CC)c1 ZINC000015746175 220164465 /nfs/dbraw/zinc/16/44/65/220164465.db2.gz HDDBPBTXLIIBKG-LJQANCHMSA-N 1 0 367.513 3.729 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCC(C)CC2)o1 ZINC000015860288 220168619 /nfs/dbraw/zinc/16/86/19/220168619.db2.gz YACUFLXENSJFFS-LJQANCHMSA-N 1 0 356.466 3.556 50 0 FHAARO Cc1cc(Br)cc(C)c1OCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247465 220181456 /nfs/dbraw/zinc/18/14/56/220181456.db2.gz DTJDPJMEWKKTEO-GASCZTMLSA-N 1 0 356.304 3.944 50 0 FHAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)NCc2ccc(F)cc2)CC1 ZINC000016622271 220188877 /nfs/dbraw/zinc/18/88/77/220188877.db2.gz FBWPDERRAVTMEE-UHFFFAOYSA-N 1 0 369.484 3.846 50 0 FHAARO COc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccccc2C)cc1 ZINC000016944975 220199181 /nfs/dbraw/zinc/19/91/81/220199181.db2.gz LVEMEIDAPZDFPR-JOCHJYFZSA-N 1 0 351.470 3.654 50 0 FHAARO Cc1ccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c(C)c1 ZINC000017249547 220211798 /nfs/dbraw/zinc/21/17/98/220211798.db2.gz WXBNMUGJMUHPAP-UHFFFAOYSA-O 1 0 364.444 3.783 50 0 FHAARO Cc1cc(C)n(CCNC(=O)c2ccc([C@@H]3CCC[N@H+]3C(C)C)s2)n1 ZINC000019114357 220235335 /nfs/dbraw/zinc/23/53/35/220235335.db2.gz IMHGGNRQARSOKD-INIZCTEOSA-N 1 0 360.527 3.537 50 0 FHAARO C[NH+]1CCC(n2[nH]cc3nc(-c4ccc(-c5ccccn5)s4)nc2-3)CC1 ZINC000019113327 220235801 /nfs/dbraw/zinc/23/58/01/220235801.db2.gz NOWQXELTLPQTFT-UHFFFAOYSA-N 1 0 364.478 3.817 50 0 FHAARO Cc1cc(NC(=O)CN(C)Cc2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000019534606 220268866 /nfs/dbraw/zinc/26/88/66/220268866.db2.gz QNFJVTIYWDJGIF-UHFFFAOYSA-N 1 0 368.868 3.905 50 0 FHAARO COc1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1OC ZINC000019536494 220269788 /nfs/dbraw/zinc/26/97/88/220269788.db2.gz DWOCUGRAUJEHPE-JXMROGBWSA-N 1 0 352.478 3.535 50 0 FHAARO COc1cc(OC)cc(-c2cccc(C(=O)NCC[NH+]3CCCCC3)c2)c1 ZINC000299783666 533062323 /nfs/dbraw/zinc/06/23/23/533062323.db2.gz XJRSPMPBLIWGFI-UHFFFAOYSA-N 1 0 368.477 3.587 50 0 FHAARO C/C(=C\c1ccccc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019634756 220280338 /nfs/dbraw/zinc/28/03/38/220280338.db2.gz JJOBJPJUVWVGBE-QGOAFFKASA-N 1 0 350.462 3.636 50 0 FHAARO OCC1CC[NH+]([C@@H]2CCCN(Cc3ccccc3OC3CCCC3)C2)CC1 ZINC000019740090 220292244 /nfs/dbraw/zinc/29/22/44/220292244.db2.gz UTALIALXKKIXOZ-OAQYLSRUSA-N 1 0 372.553 3.677 50 0 FHAARO Cc1ccc(N2C(=O)C[C@H]([NH2+][C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000019794635 220297287 /nfs/dbraw/zinc/29/72/87/220297287.db2.gz RYCUSVMSELEEDX-QOUGREHBSA-N 1 0 366.505 3.821 50 0 FHAARO c1ccc(C[N@@H+]2CC[C@@H](N3CCc4onc(-c5ccccc5)c4C3)C2)cc1 ZINC000019835857 220300942 /nfs/dbraw/zinc/30/09/42/220300942.db2.gz HFFUQRHSUXRNPU-HXUWFJFHSA-N 1 0 359.473 3.974 50 0 FHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@]3(C)Cc1ccc(OC)c(OC)c1 ZINC000020386882 220325246 /nfs/dbraw/zinc/32/52/46/220325246.db2.gz MQXXVBHWDCWVIN-JOCHJYFZSA-N 1 0 366.461 3.797 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000020574494 220332865 /nfs/dbraw/zinc/33/28/65/220332865.db2.gz NCZRYOGAPQOJBY-ZDUSSCGKSA-N 1 0 355.417 3.710 50 0 FHAARO OCC[C@@H]1CN(Cc2ccccc2C(F)(F)F)CC[N@@H+]1C1CCCC1 ZINC000020915100 220346395 /nfs/dbraw/zinc/34/63/95/220346395.db2.gz BTGXRUHLKNVTCF-QGZVFWFLSA-N 1 0 356.432 3.517 50 0 FHAARO OCC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[N@@H+]1C1CCCC1 ZINC000020999066 220348081 /nfs/dbraw/zinc/34/80/81/220348081.db2.gz MPXVTRLBCRXHKM-GOSISDBHSA-N 1 0 356.432 3.517 50 0 FHAARO C[N@H+](CCCNC(=O)c1cccc2c1SCCC2=O)Cc1ccccc1 ZINC000021102990 220350616 /nfs/dbraw/zinc/35/06/16/220350616.db2.gz JIFIQEPCVVKFSG-UHFFFAOYSA-N 1 0 368.502 3.617 50 0 FHAARO C[NH+](C)CCN[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000022038827 220375363 /nfs/dbraw/zinc/37/53/63/220375363.db2.gz WKJNSQMRGYJUCZ-KRWDZBQOSA-N 1 0 365.399 3.536 50 0 FHAARO Clc1ccc(COc2ccccc2C[NH2+]CCCN2CCOCC2)cc1 ZINC000022074019 220376772 /nfs/dbraw/zinc/37/67/72/220376772.db2.gz UIARWGJQKKSPMX-UHFFFAOYSA-N 1 0 374.912 3.731 50 0 FHAARO CCc1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3S2)[NH+](C)C)cc1 ZINC000022684695 220394331 /nfs/dbraw/zinc/39/43/31/220394331.db2.gz VKIVSIXNVWEPDR-QUCCMNQESA-N 1 0 354.519 3.685 50 0 FHAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000022800200 220397915 /nfs/dbraw/zinc/39/79/15/220397915.db2.gz MWXLFVMZSCMTSG-MJGOQNOKSA-N 1 0 355.482 3.814 50 0 FHAARO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000022786284 220398823 /nfs/dbraw/zinc/39/88/23/220398823.db2.gz XWOPOFKCBCKEGE-LJQANCHMSA-N 1 0 351.494 3.621 50 0 FHAARO COc1ccc([C@H](C[NH2+]Cc2cc(OC)cc(OC)c2)N2CCCC2)cc1 ZINC000022787458 220399135 /nfs/dbraw/zinc/39/91/35/220399135.db2.gz YURUEYMHJLMTJB-QFIPXVFZSA-N 1 0 370.493 3.639 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)[NH+]2CCCC2)cc1 ZINC000027793078 220549308 /nfs/dbraw/zinc/54/93/08/220549308.db2.gz HBGQUAHWHRDMHL-OAQYLSRUSA-N 1 0 366.505 3.944 50 0 FHAARO COc1ccccc1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000040107119 220881661 /nfs/dbraw/zinc/88/16/61/220881661.db2.gz JNVOCKAOYRORCC-GOSISDBHSA-N 1 0 366.505 3.786 50 0 FHAARO CCOc1cc(C[NH2+]C(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040738009 220919971 /nfs/dbraw/zinc/91/99/71/220919971.db2.gz JYJBRTUWURXRRC-UHFFFAOYSA-N 1 0 356.466 3.909 50 0 FHAARO CN(C)c1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000044081726 220951836 /nfs/dbraw/zinc/95/18/36/220951836.db2.gz IWFZWJHAYSSNTE-UHFFFAOYSA-N 1 0 352.482 3.670 50 0 FHAARO CC1CC[NH+]([C@H](CNS(=O)(=O)Cc2ccccc2)c2ccccc2)CC1 ZINC000048309549 221006237 /nfs/dbraw/zinc/00/62/37/221006237.db2.gz ZBVKBPGMMHDCFO-OAQYLSRUSA-N 1 0 372.534 3.579 50 0 FHAARO COc1cc(NC(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc(OC)c1 ZINC000048303168 221006305 /nfs/dbraw/zinc/00/63/05/221006305.db2.gz FLQXHAUZBHIHEQ-NRFANRHFSA-N 1 0 366.461 3.794 50 0 FHAARO C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744679 221014721 /nfs/dbraw/zinc/01/47/21/221014721.db2.gz ATTFGEVIQBJTJT-CQSZACIVSA-N 1 0 358.869 3.848 50 0 FHAARO CCN(C(=O)[C@@H](C)N1CC[NH+](CC2CC2)CC1)c1cccc2ccccc21 ZINC000052164830 221036664 /nfs/dbraw/zinc/03/66/64/221036664.db2.gz QDHDDXIFCQEBGC-GOSISDBHSA-N 1 0 365.521 3.609 50 0 FHAARO Cc1ccsc1CNc1cccc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000055108676 221058953 /nfs/dbraw/zinc/05/89/53/221058953.db2.gz JPGZZLOISRZXAK-UHFFFAOYSA-N 1 0 357.523 3.884 50 0 FHAARO Cc1cccc(-c2ncc(C[NH2+]CCc3nc(C)c4c(n3)CCCC4)cn2)c1 ZINC000055195905 221061107 /nfs/dbraw/zinc/06/11/07/221061107.db2.gz JYONFBXQVHEPQL-UHFFFAOYSA-N 1 0 373.504 3.762 50 0 FHAARO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CCCC1 ZINC000053436576 221045951 /nfs/dbraw/zinc/04/59/51/221045951.db2.gz WRFGSSBDWZSGOQ-MRXNPFEDSA-N 1 0 357.479 3.893 50 0 FHAARO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C1CCCC1 ZINC000053436535 221046301 /nfs/dbraw/zinc/04/63/01/221046301.db2.gz RQVDPMBGQIZIRC-MRXNPFEDSA-N 1 0 357.479 3.893 50 0 FHAARO Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000053720647 221048693 /nfs/dbraw/zinc/04/86/93/221048693.db2.gz CQMISUFOZAPIMQ-MRXNPFEDSA-N 1 0 368.525 3.983 50 0 FHAARO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000056207914 221079080 /nfs/dbraw/zinc/07/90/80/221079080.db2.gz AFRALTQMHVWBAB-GOSISDBHSA-N 1 0 362.477 3.665 50 0 FHAARO Cc1ccccc1[C@@]1(O)CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000055393269 221068357 /nfs/dbraw/zinc/06/83/57/221068357.db2.gz OJTRCLBNOBEJBP-OAQYLSRUSA-N 1 0 351.425 3.618 50 0 FHAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000058160464 221100753 /nfs/dbraw/zinc/10/07/53/221100753.db2.gz QHASEGQNLLEDTF-ZDUSSCGKSA-N 1 0 371.868 3.522 50 0 FHAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000058164907 221101910 /nfs/dbraw/zinc/10/19/10/221101910.db2.gz XRVNXCDENIJBFY-BZSISCHUSA-N 1 0 356.510 3.678 50 0 FHAARO C[C@@H](C1CC1)[N@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000058191909 221104648 /nfs/dbraw/zinc/10/46/48/221104648.db2.gz UFNPLQOOUIAGRW-ZDUSSCGKSA-N 1 0 357.479 3.669 50 0 FHAARO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000059916501 221127779 /nfs/dbraw/zinc/12/77/79/221127779.db2.gz AVWJMUMEZRXFOM-UHFFFAOYSA-N 1 0 355.869 3.657 50 0 FHAARO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000060343650 221129474 /nfs/dbraw/zinc/12/94/74/221129474.db2.gz WIYHIGVTWYZILZ-HNNXBMFYSA-N 1 0 363.383 3.548 50 0 FHAARO CO[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C)c1ccccc1 ZINC000061307599 221133477 /nfs/dbraw/zinc/13/34/77/221133477.db2.gz HXKGXKNBGJQZBI-HXUWFJFHSA-N 1 0 370.518 3.870 50 0 FHAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[C@@H](c2ccccc2)C1 ZINC000058419505 221118165 /nfs/dbraw/zinc/11/81/65/221118165.db2.gz BOTAYGUZCYEBPZ-HXUWFJFHSA-N 1 0 355.526 3.840 50 0 FHAARO O=C(N[C@H]1CCOc2ccccc21)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000058423468 221118694 /nfs/dbraw/zinc/11/86/94/221118694.db2.gz LHSJRDOYLDHFDF-XLIONFOSSA-N 1 0 368.452 3.678 50 0 FHAARO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000058426586 221119781 /nfs/dbraw/zinc/11/97/81/221119781.db2.gz HKSXRXAPIILAIC-SPLOXXLWSA-N 1 0 357.473 3.923 50 0 FHAARO Cc1nc(C[NH+](C)C)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 ZINC000063882151 221144530 /nfs/dbraw/zinc/14/45/30/221144530.db2.gz CBHBOXSFYLOIIW-INIZCTEOSA-N 1 0 353.495 3.798 50 0 FHAARO CCn1cc(C[NH+]2CCC(C(=O)NCc3ccco3)CC2)c2ccccc21 ZINC000065060108 221167164 /nfs/dbraw/zinc/16/71/64/221167164.db2.gz ITHFSVNSEPPURX-UHFFFAOYSA-N 1 0 365.477 3.783 50 0 FHAARO C[NH+]1CCC(Oc2ccc(NC(=O)CSc3ccccc3)cc2)CC1 ZINC000065362683 221202301 /nfs/dbraw/zinc/20/23/01/221202301.db2.gz ZYQKOTPGLQGLPK-UHFFFAOYSA-N 1 0 356.491 3.890 50 0 FHAARO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2cccnc2)c(OC)c1 ZINC000065375341 221206756 /nfs/dbraw/zinc/20/67/56/221206756.db2.gz LUQFYTGSVTULER-LJQANCHMSA-N 1 0 369.465 3.655 50 0 FHAARO c1cc(-c2c(-c3ccccc3)ncn2[C@@H]2CC[NH2+]C2)n(-c2nccs2)c1 ZINC000065383307 221207439 /nfs/dbraw/zinc/20/74/39/221207439.db2.gz DFDMEDOVXKAEFC-MRXNPFEDSA-N 1 0 361.474 3.999 50 0 FHAARO Cc1nn(-c2ccccc2)c2c1[C@@H](c1[nH+]c(C)n3ccccc13)CC(=O)N2 ZINC000065459215 221221963 /nfs/dbraw/zinc/22/19/63/221221963.db2.gz XCPVFORVBDEPRM-INIZCTEOSA-N 1 0 357.417 3.611 50 0 FHAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)C[C@H]1O ZINC000065492361 221226244 /nfs/dbraw/zinc/22/62/44/221226244.db2.gz GINUIWUNJHVMFD-RTBURBONSA-N 1 0 353.491 3.593 50 0 FHAARO Cc1c(C[N@H+](C)Cc2cccc3ncccc23)c(=O)n(-c2ccccc2)n1C ZINC000065503204 221226858 /nfs/dbraw/zinc/22/68/58/221226858.db2.gz YLUOJWCYLNDJGC-UHFFFAOYSA-N 1 0 372.472 3.665 50 0 FHAARO COc1ccc(-c2nc(CN3CC[NH2+][C@@H](C)C3)c(C)o2)c2ccccc12 ZINC000067458603 221256271 /nfs/dbraw/zinc/25/62/71/221256271.db2.gz VOXZHIHTOBTCJC-AWEZNQCLSA-N 1 0 351.450 3.606 50 0 FHAARO COc1cc(OC)c2nc(-c3ccc(F)c4c3O[C@@H](C[NH3+])C4)cc(C)c2c1 ZINC000067513494 221257148 /nfs/dbraw/zinc/25/71/48/221257148.db2.gz TWHAMDBWEFHNHG-CYBMUJFWSA-N 1 0 368.408 3.629 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@](C)(CO)C3)c(C)o2)c(OC)c1C ZINC000067489961 221257603 /nfs/dbraw/zinc/25/76/03/221257603.db2.gz RBAAXKTVEXXYRL-NRFANRHFSA-N 1 0 374.481 3.570 50 0 FHAARO O=C(Nc1ccc2ncsc2c1)c1cccc(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000067513556 221257649 /nfs/dbraw/zinc/25/76/49/221257649.db2.gz AMLSSGHUMBHLEU-KRWDZBQOSA-N 1 0 367.474 3.505 50 0 FHAARO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(-c2cccc3ncccc32)nc1 ZINC000067587592 221260327 /nfs/dbraw/zinc/26/03/27/221260327.db2.gz NCHVGJXNMDXZNY-GOSISDBHSA-N 1 0 374.488 3.901 50 0 FHAARO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](CC3CCC3)CC2)cc1 ZINC000067725934 221277283 /nfs/dbraw/zinc/27/72/83/221277283.db2.gz LPARSQAMUOGZDP-UHFFFAOYSA-N 1 0 368.481 3.581 50 0 FHAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH+]3CCCCCC3)C2=O)cc1 ZINC000067817137 221288074 /nfs/dbraw/zinc/28/80/74/221288074.db2.gz KVMCJJKSVKUYRE-JOCHJYFZSA-N 1 0 358.526 3.540 50 0 FHAARO CN(C)C(=O)CC[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067883893 221300716 /nfs/dbraw/zinc/30/07/16/221300716.db2.gz FWFRKNSJXIBIOF-UHFFFAOYSA-N 1 0 374.488 3.580 50 0 FHAARO COc1ccc(-c2nc(CN3CCC[C@H](C[NH3+])C3)c(C)o2)c2ccccc12 ZINC000067886169 221301012 /nfs/dbraw/zinc/30/10/12/221301012.db2.gz WJPRZVRZJKYZPZ-MRXNPFEDSA-N 1 0 365.477 3.983 50 0 FHAARO O[C@@H]1CCCC[C@H]1n1cc(C2=CC[N@H+](CCc3ccccc3)CC2)cn1 ZINC000067894705 221303216 /nfs/dbraw/zinc/30/32/16/221303216.db2.gz CSLZXJQYFVAXSV-FGZHOGPDSA-N 1 0 351.494 3.691 50 0 FHAARO Cc1cc(=O)oc2cc(C[NH+]3CCC(OCc4cccnc4)CC3)ccc12 ZINC000067966854 221310430 /nfs/dbraw/zinc/31/04/30/221310430.db2.gz MTZHJTRPUJWYEW-UHFFFAOYSA-N 1 0 364.445 3.678 50 0 FHAARO CCc1nnc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)o1 ZINC000071388767 221345525 /nfs/dbraw/zinc/34/55/25/221345525.db2.gz QSECLFMFMSIZFO-SFHVURJKSA-N 1 0 360.477 3.504 50 0 FHAARO CC(C)(C[N@@H+]1CCC[C@H](CCc2ccc(F)c(F)c2)C1)N1CCOCC1 ZINC000071439746 221349229 /nfs/dbraw/zinc/34/92/29/221349229.db2.gz ZGJYJMDZZKLFMC-GOSISDBHSA-N 1 0 366.496 3.720 50 0 FHAARO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cn1 ZINC000071730494 221356859 /nfs/dbraw/zinc/35/68/59/221356859.db2.gz KMEBPTFJWXIEKY-OAQYLSRUSA-N 1 0 369.484 3.902 50 0 FHAARO c1cnn(-c2cccc([C@H]3c4[nH]cnc4CC[N@H+]3CCc3ccccc3)c2)c1 ZINC000071738867 221357944 /nfs/dbraw/zinc/35/79/44/221357944.db2.gz UOJWKUQQRSXTFJ-QHCPKHFHSA-N 1 0 369.472 3.786 50 0 FHAARO COC(=O)CCCC[N@@H+]1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071749726 221361025 /nfs/dbraw/zinc/36/10/25/221361025.db2.gz TZCYKAYFUHHMBR-FQEVSTJZSA-N 1 0 357.450 3.565 50 0 FHAARO CCc1ncc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071750671 221361805 /nfs/dbraw/zinc/36/18/05/221361805.db2.gz IZDNGWHMVTXUDD-NRFANRHFSA-N 1 0 370.516 3.911 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2cncc(F)c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071750431 221362575 /nfs/dbraw/zinc/36/25/75/221362575.db2.gz NSQUWYBTLXTBSN-HXUWFJFHSA-N 1 0 373.447 3.733 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2cccc3c2ccn3C)CCC[N@@H+]1CC1CC1 ZINC000071752069 221364216 /nfs/dbraw/zinc/36/42/16/221364216.db2.gz MZFZCADNGWVWTJ-OAQYLSRUSA-N 1 0 353.510 3.761 50 0 FHAARO COCc1ncc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)cn1 ZINC000071760833 221368270 /nfs/dbraw/zinc/36/82/70/221368270.db2.gz ZZDVXYNJDJYDBV-OAHLLOKOSA-N 1 0 361.436 3.746 50 0 FHAARO CC(C)[N@H+](C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21 ZINC000071714742 221354663 /nfs/dbraw/zinc/35/46/63/221354663.db2.gz GWVRITRGQFGPCD-UHFFFAOYSA-N 1 0 370.522 3.551 50 0 FHAARO C[C@H](CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000071853515 221383511 /nfs/dbraw/zinc/38/35/11/221383511.db2.gz OIDQUTYCRQQDJS-GOSISDBHSA-N 1 0 368.546 3.987 50 0 FHAARO O=C(Nc1cccnc1-c1cc(O)cc(CC[C@@H]2CCCC[NH2+]2)c1)C1CC1 ZINC000071771762 221373662 /nfs/dbraw/zinc/37/36/62/221373662.db2.gz MYYOWVUIHKCBBG-SFHVURJKSA-N 1 0 365.477 3.877 50 0 FHAARO CC(C)[NH+]1CCC([C@@H]2c3[nH]cnc3CCN2CCc2ccccc2)CC1 ZINC000071775926 221375350 /nfs/dbraw/zinc/37/53/50/221375350.db2.gz MVDDRJNHILYVQQ-JOCHJYFZSA-N 1 0 352.526 3.672 50 0 FHAARO CCCCC[N@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)C(C)C ZINC000071802076 221377211 /nfs/dbraw/zinc/37/72/11/221377211.db2.gz AWFBUCIOTPBDFP-UHFFFAOYSA-N 1 0 367.921 3.638 50 0 FHAARO Cc1ccn2cc(CN3C[C@H](c4ccccc4)[C@@H]4[C@H]3C3CC[NH+]4CC3)nc2c1 ZINC000072148419 221426384 /nfs/dbraw/zinc/42/63/84/221426384.db2.gz DRCQWKYCULTKSE-GMKZXUHWSA-N 1 0 372.516 3.705 50 0 FHAARO COc1cccc(CCC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C)C2)c1 ZINC000299759388 533451311 /nfs/dbraw/zinc/45/13/11/533451311.db2.gz GYKDOLVZGTTXKX-HXUWFJFHSA-N 1 0 366.505 3.575 50 0 FHAARO COc1cccc(N2CCC([N@@H+]3CCc4[nH]nc(C5CCC5)c4C3)CC2)c1 ZINC000082039362 132193438 /nfs/dbraw/zinc/19/34/38/132193438.db2.gz OSMCSWNTDUWUMQ-UHFFFAOYSA-N 1 0 366.509 3.713 50 0 FHAARO CCc1cc(N2CCC([NH2+]Cc3ccc(Cl)s3)CC2)nc(C)n1 ZINC000095509625 132212822 /nfs/dbraw/zinc/21/28/22/132212822.db2.gz CWLUTVZLCQLENZ-UHFFFAOYSA-N 1 0 350.919 3.821 50 0 FHAARO c1c(-c2ccccc2)nn2ccnc(N3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000096873444 132226310 /nfs/dbraw/zinc/22/63/10/132226310.db2.gz QZAZVXZCZRKUMI-UHFFFAOYSA-N 1 0 369.472 3.719 50 0 FHAARO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)N1CCCc2ccccc21 ZINC000004315045 132254658 /nfs/dbraw/zinc/25/46/58/132254658.db2.gz HMHSWLASDRXFQZ-UHFFFAOYSA-N 1 0 374.488 3.722 50 0 FHAARO CC(C)c1ccc(/C=C\C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000096405184 132377838 /nfs/dbraw/zinc/37/78/38/132377838.db2.gz NTDMOJVJHXCFHE-WDZFZDKYSA-N 1 0 364.493 3.609 50 0 FHAARO Fc1ccccc1N1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000000757701 132378391 /nfs/dbraw/zinc/37/83/91/132378391.db2.gz PQMZLCTYUGDYOU-UHFFFAOYSA-N 1 0 367.512 3.655 50 0 FHAARO Fc1ccccc1N1CCN(C2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000001154791 132380579 /nfs/dbraw/zinc/38/05/79/132380579.db2.gz LVVWIRQWTFKIOR-HSALFYBXSA-N 1 0 369.528 3.624 50 0 FHAARO Cc1cc(C)cc(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000002786354 132384061 /nfs/dbraw/zinc/38/40/61/132384061.db2.gz FLNICQWTFUZWCK-UHFFFAOYSA-N 1 0 355.457 3.593 50 0 FHAARO Cc1c(Cl)cccc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000002765247 132384087 /nfs/dbraw/zinc/38/40/87/132384087.db2.gz VCAIUSMJXNEAHY-UHFFFAOYSA-N 1 0 357.885 3.799 50 0 FHAARO OCC1CCN(c2ncc3c(n2)CCC[C@@H]3[NH2+]C2CCCCCCC2)CC1 ZINC000012443177 132857656 /nfs/dbraw/zinc/85/76/56/132857656.db2.gz NRWFVOOOYCFPFQ-FQEVSTJZSA-N 1 0 372.557 3.765 50 0 FHAARO O=C(Nc1ccc(Br)cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033129001 136117401 /nfs/dbraw/zinc/11/74/01/136117401.db2.gz NFKOCYSKJMWFFJ-UHFFFAOYSA-N 1 0 360.255 3.699 50 0 FHAARO CC[C@H]1CN(c2ccc(-c3nc(-c4ccccc4C)no3)cn2)CC[N@@H+]1C ZINC000039442649 136119073 /nfs/dbraw/zinc/11/90/73/136119073.db2.gz YRSQPIRQQWVQOL-KRWDZBQOSA-N 1 0 363.465 3.637 50 0 FHAARO CC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000055462407 136126893 /nfs/dbraw/zinc/12/68/93/136126893.db2.gz QRVOZITYLXAMSP-GOSISDBHSA-N 1 0 351.494 3.537 50 0 FHAARO O=C(Nc1cccnc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000059736246 136132271 /nfs/dbraw/zinc/13/22/71/136132271.db2.gz ZDUBSMCUIBLUMS-UHFFFAOYSA-N 1 0 372.472 3.656 50 0 FHAARO O[C@@H]1CCC[N@@H+](C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)C1 ZINC000063855448 136133060 /nfs/dbraw/zinc/13/30/60/136133060.db2.gz ZCIGLGHKSMUABA-JOCHJYFZSA-N 1 0 354.469 3.918 50 0 FHAARO Cc1cc(N2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)nc(N)[nH+]1 ZINC000071750370 136140110 /nfs/dbraw/zinc/14/01/10/136140110.db2.gz IIGLAUCIXAQMMW-HXUWFJFHSA-N 1 0 374.488 3.795 50 0 FHAARO Fc1ccc(N2CCC([NH2+]Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000071825259 136141293 /nfs/dbraw/zinc/14/12/93/136141293.db2.gz ILLFYBWPCGKEDL-UHFFFAOYSA-N 1 0 350.441 3.770 50 0 FHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)Sc1ccccc1 ZINC000012544137 136152046 /nfs/dbraw/zinc/15/20/46/136152046.db2.gz HBKQOHPBMLOZTF-QGZVFWFLSA-N 1 0 369.534 3.866 50 0 FHAARO c1ccc(CCC[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000023374896 136152846 /nfs/dbraw/zinc/15/28/46/136152846.db2.gz XQZRTEJEVOZIHQ-DEOSSOPVSA-N 1 0 363.549 3.906 50 0 FHAARO Cc1ccc2ncccc2c1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082160475 221707890 /nfs/dbraw/zinc/70/78/90/221707890.db2.gz XPJRMBCMCFTCSQ-UHFFFAOYSA-N 1 0 372.472 3.942 50 0 FHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NC2(C)CC2)c1 ZINC000095529742 221957129 /nfs/dbraw/zinc/95/71/29/221957129.db2.gz YCUGMTYAUJUAJC-UHFFFAOYSA-N 1 0 372.509 3.763 50 0 FHAARO CCc1noc(C2CCC([NH2+]CCc3ccc(OC)c(OC)c3)CC2)n1 ZINC000095466809 221915726 /nfs/dbraw/zinc/91/57/26/221915726.db2.gz DCUYYTXHQUYRGA-UHFFFAOYSA-N 1 0 359.470 3.508 50 0 FHAARO C[NH+]1CCC(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)CC1 ZINC000095505197 221931926 /nfs/dbraw/zinc/93/19/26/221931926.db2.gz CROQFDTTXRFYFB-UHFFFAOYSA-N 1 0 362.517 3.937 50 0 FHAARO Cc1ccc([C@H]2CN(C(=O)c3ccco3)C[C@H]2C[NH+]2CCCCC2)cc1 ZINC000096281439 222109269 /nfs/dbraw/zinc/10/92/69/222109269.db2.gz XMZDBDRLASBNSZ-WOJBJXKFSA-N 1 0 352.478 3.930 50 0 FHAARO Cc1nn(CCC(N)=O)c(C)c1-c1ccc([C@@H](C)[NH+]2CCCCC2)cc1 ZINC000096133243 222038022 /nfs/dbraw/zinc/03/80/22/222038022.db2.gz VWKHFAZAESJZKD-MRXNPFEDSA-N 1 0 354.498 3.589 50 0 FHAARO CC(C)c1cc(NC(=O)N2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)n(C)n1 ZINC000096140442 222044052 /nfs/dbraw/zinc/04/40/52/222044052.db2.gz IUMBFLLGXVDXON-IBGZPJMESA-N 1 0 369.513 3.974 50 0 FHAARO C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000096163960 222062544 /nfs/dbraw/zinc/06/25/44/222062544.db2.gz JLFWEXLPOJRFJE-INIZCTEOSA-N 1 0 371.481 3.895 50 0 FHAARO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)cc1C(C)C ZINC000096167196 222066658 /nfs/dbraw/zinc/06/66/58/222066658.db2.gz DOLWBWVHLMPNGN-IBGZPJMESA-N 1 0 361.530 3.675 50 0 FHAARO CCc1ccc(C(=O)Nc2ccc(C(=O)OCC[NH+](CC)CC)cc2)cc1 ZINC000096318746 222114660 /nfs/dbraw/zinc/11/46/60/222114660.db2.gz IAPOILWXTGFCLV-UHFFFAOYSA-N 1 0 368.477 4.000 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)/C=C\c2csc(-c3ccc(F)cc3)n2)CC1 ZINC000096926265 222140818 /nfs/dbraw/zinc/14/08/18/222140818.db2.gz QJWZEAFOATXEON-FPLPWBNLSA-N 1 0 373.497 3.951 50 0 FHAARO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000097032698 222153456 /nfs/dbraw/zinc/15/34/56/222153456.db2.gz YKHCHROYKLOODG-QZTJIDSGSA-N 1 0 352.482 3.772 50 0 FHAARO CC[N@@H+]1CCC[C@@H](C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)C1 ZINC000097307598 222174167 /nfs/dbraw/zinc/17/41/67/222174167.db2.gz AOOBWJPFQMJJKA-DAWZGUTISA-N 1 0 368.525 3.685 50 0 FHAARO COc1cccc(COc2ccccc2CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000097522482 222188656 /nfs/dbraw/zinc/18/86/56/222188656.db2.gz NSLXUTCHBRGYSC-QHCPKHFHSA-N 1 0 366.505 3.850 50 0 FHAARO CCCN1CC[C@@H]([N@H+](C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)CCC1=O ZINC000104403576 222356646 /nfs/dbraw/zinc/35/66/46/222356646.db2.gz JSQCTWSVNGVMNS-AEFFLSMTSA-N 1 0 354.498 3.861 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000106526655 222386227 /nfs/dbraw/zinc/38/62/27/222386227.db2.gz KVVFCTWEPDRTQE-LMMKCTJWSA-N 1 0 359.514 3.568 50 0 FHAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000004680343 263335626 /nfs/dbraw/zinc/33/56/26/263335626.db2.gz YEOCKXPXLKASNO-UHFFFAOYSA-N 1 0 372.896 3.877 50 0 FHAARO COc1ccc2c(c1)C[C@H]([NH+]1CCC(CCC(=O)N3CCCC3)CC1)CC2 ZINC000011954766 263368927 /nfs/dbraw/zinc/36/89/27/263368927.db2.gz OAUHUADEXDAHJN-OAQYLSRUSA-N 1 0 370.537 3.667 50 0 FHAARO CC(C)(CNC(=O)Cc1c[nH]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000025460951 263388428 /nfs/dbraw/zinc/38/84/28/263388428.db2.gz OMATVFJRYPYUNW-UHFFFAOYSA-N 1 0 361.489 3.664 50 0 FHAARO COc1ccc(NC(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000426382839 263570452 /nfs/dbraw/zinc/57/04/52/263570452.db2.gz ZGJJTEMHPMVXJH-QGZVFWFLSA-N 1 0 371.456 3.868 50 0 FHAARO O=C(NCC[NH+]1CCCCCC1)c1cccc(-c2ccc(O)cc2F)c1 ZINC000426428970 263588180 /nfs/dbraw/zinc/58/81/80/263588180.db2.gz NHKHKMQZRZIVQJ-UHFFFAOYSA-N 1 0 356.441 3.804 50 0 FHAARO CC[N@H+](C)C[C@@H](C)CNC(=O)c1ccc(-c2ccccc2C(C)=O)cc1 ZINC000426490395 263605645 /nfs/dbraw/zinc/60/56/45/263605645.db2.gz CSWGRPGGKSXAHO-INIZCTEOSA-N 1 0 352.478 3.874 50 0 FHAARO COCCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000426515544 263615579 /nfs/dbraw/zinc/61/55/79/263615579.db2.gz OSBMNTLGRXOTCF-QGZVFWFLSA-N 1 0 370.468 3.581 50 0 FHAARO Cn1ccnc1-c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCC2)cc1 ZINC000426593912 263641700 /nfs/dbraw/zinc/64/17/00/263641700.db2.gz YUQVWQOQXNCHGG-UHFFFAOYSA-N 1 0 366.509 3.616 50 0 FHAARO COc1ccccc1CC[NH2+]Cc1nn(C(C)C)nc1-c1ccccc1 ZINC000248177489 518168760 /nfs/dbraw/zinc/16/87/60/518168760.db2.gz BASOFODBLHVTRC-UHFFFAOYSA-N 1 0 350.466 3.867 50 0 FHAARO CCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnc(CC4CCCC4)[nH]3)CC[C@H]21 ZINC000072474611 520560761 /nfs/dbraw/zinc/56/07/61/520560761.db2.gz WDJKKTVRVHIVBS-AZUAARDMSA-N 1 0 372.557 3.755 50 0 FHAARO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000179010347 521568295 /nfs/dbraw/zinc/56/82/95/521568295.db2.gz BVSSWCPTPSYCTL-INIZCTEOSA-N 1 0 354.450 3.559 50 0 FHAARO CCC(CC)[NH2+][C@H]1C[C@@H](C(=O)NC(C)C)N(Cc2ccccc2Cl)C1 ZINC000020907652 521597561 /nfs/dbraw/zinc/59/75/61/521597561.db2.gz ZVVMYGSPHBMHKK-HKUYNNGSSA-N 1 0 365.949 3.586 50 0 FHAARO CN(C)CC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000020477632 521789609 /nfs/dbraw/zinc/78/96/09/521789609.db2.gz YKCRYIXBBZSMME-UHFFFAOYSA-N 1 0 363.299 3.679 50 0 FHAARO COc1cc(Br)cc(C[NH2+]CCc2ccc(F)cc2)c1OC ZINC000020933805 522025911 /nfs/dbraw/zinc/02/59/11/522025911.db2.gz WGVPAKGPDQMQSH-UHFFFAOYSA-N 1 0 368.246 3.938 50 0 FHAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1 ZINC000178996257 522056193 /nfs/dbraw/zinc/05/61/93/522056193.db2.gz NHQJFQVHUMIRIQ-INIZCTEOSA-N 1 0 358.869 3.601 50 0 FHAARO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875038 522449658 /nfs/dbraw/zinc/44/96/58/522449658.db2.gz GLOVPIOSQZRRGG-UHFFFAOYSA-N 1 0 362.901 3.887 50 0 FHAARO CC[C@H](O)C[NH2+]Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000020167940 522819824 /nfs/dbraw/zinc/81/98/24/522819824.db2.gz XTSAFSDGSIELOM-KRWDZBQOSA-N 1 0 371.431 3.986 50 0 FHAARO COc1ccc(Br)cc1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000020010527 523499235 /nfs/dbraw/zinc/49/92/35/523499235.db2.gz QPOIPZJTHTXOSO-UHFFFAOYSA-N 1 0 364.239 3.519 50 0 FHAARO COc1ccc(CCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)cc1 ZINC000091444849 523920287 /nfs/dbraw/zinc/92/02/87/523920287.db2.gz JVTMYJQZYLBOII-WOJBJXKFSA-N 1 0 356.510 3.517 50 0 FHAARO CCc1ccc(C[N@H+](CCOC)Cc2cc(=O)c3cc(F)ccc3[nH]2)cc1 ZINC000091679000 523922619 /nfs/dbraw/zinc/92/26/19/523922619.db2.gz BYAQBXZMSPIBAI-UHFFFAOYSA-N 1 0 368.452 3.878 50 0 FHAARO Cc1cccc(-n2cc(C[N@@H+]3CC[C@@H](O)C3)c(-c3cccc(F)c3)n2)c1 ZINC000020453612 524143837 /nfs/dbraw/zinc/14/38/37/524143837.db2.gz SLTWQTDNRMJFSJ-HXUWFJFHSA-N 1 0 351.425 3.553 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCOc3c(Cl)cccc32)C1 ZINC000252474910 524224048 /nfs/dbraw/zinc/22/40/48/524224048.db2.gz OOFAAMJQGUBCBW-PBHICJAKSA-N 1 0 365.905 3.585 50 0 FHAARO Cc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CCCCCC3)s2)o1 ZINC000020576832 524585615 /nfs/dbraw/zinc/58/56/15/524585615.db2.gz SMEDJPGGXANQSB-UHFFFAOYSA-N 1 0 371.510 3.900 50 0 FHAARO Cc1ncsc1CCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299772900 534796585 /nfs/dbraw/zinc/79/65/85/534796585.db2.gz CYOPUFMATMERBW-OTWHNJEPSA-N 1 0 369.534 3.726 50 0 FHAARO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21)c1ccc2c(c1)OCO2 ZINC000241587926 524947208 /nfs/dbraw/zinc/94/72/08/524947208.db2.gz OYELSPUMAYANNP-KXBFYZLASA-N 1 0 366.461 3.602 50 0 FHAARO Cc1ccccc1N1CCCN(C(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)CC1 ZINC000091493250 525221760 /nfs/dbraw/zinc/22/17/60/525221760.db2.gz HXDVGBBKTJCLPA-KRWDZBQOSA-N 1 0 369.534 3.834 50 0 FHAARO C[C@@H]1Oc2ccccc2N(CC[N@H+](Cc2ccco2)C2CCCC2)C1=O ZINC000089919843 525616962 /nfs/dbraw/zinc/61/69/62/525616962.db2.gz GULGVVVHSWQIGM-INIZCTEOSA-N 1 0 354.450 3.838 50 0 FHAARO Cc1ccc(-n2cccn2)c(C[N@@H+](Cc2ccncc2)C[C@@H]2CCCO2)c1 ZINC000216484408 525912334 /nfs/dbraw/zinc/91/23/34/525912334.db2.gz NWWNJAMGCKTWHZ-NRFANRHFSA-N 1 0 362.477 3.757 50 0 FHAARO COc1cccc(C[NH2+]CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000020365920 526014339 /nfs/dbraw/zinc/01/43/39/526014339.db2.gz IZIMCNFEFBQRKZ-UHFFFAOYSA-N 1 0 369.411 3.999 50 0 FHAARO CSc1nnc(CC2CC[NH+](Cc3ccc4occc4c3)CC2)n1C ZINC000082091811 526226596 /nfs/dbraw/zinc/22/65/96/526226596.db2.gz YQOSBGSLVKCZCP-UHFFFAOYSA-N 1 0 356.495 3.738 50 0 FHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](c2nccn2Cc2ccccc2)C1 ZINC000082109427 526502410 /nfs/dbraw/zinc/50/24/10/526502410.db2.gz KRLSXRRMUUMEEO-LJQANCHMSA-N 1 0 350.466 3.916 50 0 FHAARO O=C(COc1cc(Cl)cc(Cl)c1)N[C@H]1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000390832628 526944166 /nfs/dbraw/zinc/94/41/66/526944166.db2.gz IMVBGJCHHDABAT-JKSUJKDBSA-N 1 0 371.308 3.895 50 0 FHAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000001401288 536424441 /nfs/dbraw/zinc/42/44/41/536424441.db2.gz OUXUXCDAFCGFNP-UHFFFAOYSA-N 1 0 363.383 3.710 50 0 FHAARO COc1ccccc1N1CCC([NH2+][C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)CC1 ZINC000244626477 537062343 /nfs/dbraw/zinc/06/23/43/537062343.db2.gz FMKLSPVMZCEXSG-LDBYXDLTSA-N 1 0 372.534 3.827 50 0 FHAARO O=C(O[C@H]1C[NH+]2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000011616188 560211314 /nfs/dbraw/zinc/21/13/14/560211314.db2.gz FBOUYBDGKBSUES-FCHUYYIVSA-N 1 0 362.473 3.865 50 0 in-vitro FHAARO Cc1cc(C)c2nc(C)cc(C(=O)N3CCC[C@H](c4nccn4C)C3)c2c1 ZINC000215016892 568042024 /nfs/dbraw/zinc/04/20/24/568042024.db2.gz SBJGPGKPAAFGGS-KRWDZBQOSA-N 1 0 362.477 3.913 50 0 FHAARO CCOc1cc(Cl)c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1OC ZINC000215228906 568059157 /nfs/dbraw/zinc/05/91/57/568059157.db2.gz LDMSJZIEYFDPJC-AWEZNQCLSA-N 1 0 361.873 3.917 50 0 FHAARO CC(C)[N@@H+]1CCN(Cc2cnc(SCc3ccccc3)nc2)C[C@@H]1C ZINC000215501757 568073942 /nfs/dbraw/zinc/07/39/42/568073942.db2.gz KBXAZLQWUPMANM-KRWDZBQOSA-N 1 0 356.539 3.683 50 0 FHAARO Cc1cccc(-n2cc(C[NH+]3CCC([C@@H](O)c4ccccn4)CC3)cn2)c1 ZINC000215604863 568079485 /nfs/dbraw/zinc/07/94/85/568079485.db2.gz WIICWOZXXFGMRE-JOCHJYFZSA-N 1 0 362.477 3.521 50 0 FHAARO CCc1nnc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)o1 ZINC000216259073 568115129 /nfs/dbraw/zinc/11/51/29/568115129.db2.gz QSECLFMFMSIZFO-GOSISDBHSA-N 1 0 360.477 3.504 50 0 FHAARO c1cncc(CN2CCN(Cc3cccc(OC4CCCC4)c3)CC2)c1 ZINC000216287400 568116568 /nfs/dbraw/zinc/11/65/68/568116568.db2.gz QBUIWCOICVQICH-UHFFFAOYSA-N 1 0 351.494 3.721 50 0 FHAARO CC(C)Nc1ncc(C[NH+]2CCC(c3nc4ccccc4n3C)CC2)cn1 ZINC000216507673 568126294 /nfs/dbraw/zinc/12/62/94/568126294.db2.gz BQJSSCWLDOZEEV-UHFFFAOYSA-N 1 0 364.497 3.563 50 0 FHAARO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccnc2)C3=O)cc1C ZINC000012314989 568135141 /nfs/dbraw/zinc/13/51/41/568135141.db2.gz GMIWVVYVGNMLBR-HSZRJFAPSA-N 1 0 363.505 3.713 50 0 FHAARO CC[NH+](CC)Cc1cc(C(=O)N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)c(C)o1 ZINC000222779570 568562142 /nfs/dbraw/zinc/56/21/42/568562142.db2.gz YNQPHQAVGPNUQH-KCLUMXDGSA-N 1 0 374.525 3.753 50 0 FHAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](CC2CCCCC2)CC1 ZINC000091847212 570440575 /nfs/dbraw/zinc/44/05/75/570440575.db2.gz IQEHHAWUBOEQHQ-UHFFFAOYSA-N 1 0 370.545 3.611 50 0 FHAARO Cn1c(CN2CCCCCC2)nnc1C1CC[NH+](Cc2cccs2)CC1 ZINC000091907047 570442092 /nfs/dbraw/zinc/44/20/92/570442092.db2.gz ITROREDQIGGDIM-UHFFFAOYSA-N 1 0 373.570 3.632 50 0 FHAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(F)c(C)c1)C2 ZINC000091973879 570444067 /nfs/dbraw/zinc/44/40/67/570444067.db2.gz BBYMLBQUHBTNNF-RBUKOAKNSA-N 1 0 357.473 3.835 50 0 FHAARO c1cc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cs1 ZINC000095355537 570452819 /nfs/dbraw/zinc/45/28/19/570452819.db2.gz CZTPWFUBVARWIO-IOMROCGXSA-N 1 0 368.502 3.539 50 0 FHAARO CN(Cc1cnc2ccccc2c1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095359646 570453907 /nfs/dbraw/zinc/45/39/07/570453907.db2.gz JIRUGXOEKPZVCJ-NRFANRHFSA-N 1 0 359.473 3.974 50 0 FHAARO Cc1ccc(CNC(=O)CC[N@H+]2CCC[C@H](c3nccn3C(C)C)C2)cc1 ZINC000095365965 570454916 /nfs/dbraw/zinc/45/49/16/570454916.db2.gz ZHGMHTKCKBHBML-FQEVSTJZSA-N 1 0 368.525 3.658 50 0 FHAARO C[N@@H+]1CCC[C@H](CCC(=O)NCc2cc(-c3cccc(Cl)c3)no2)C1 ZINC000095365573 570455084 /nfs/dbraw/zinc/45/50/84/570455084.db2.gz WNNIJUITYBJOGB-CQSZACIVSA-N 1 0 361.873 3.733 50 0 FHAARO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000095368724 570455624 /nfs/dbraw/zinc/45/56/24/570455624.db2.gz CPERROFUIRKZRQ-RBUKOAKNSA-N 1 0 365.477 3.731 50 0 FHAARO CCn1nc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000095392177 570461266 /nfs/dbraw/zinc/46/12/66/570461266.db2.gz RDIUMPKJJUYUAO-MRXNPFEDSA-N 1 0 368.525 3.997 50 0 FHAARO COCCN(Cc1ccccc1F)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095392453 570461331 /nfs/dbraw/zinc/46/13/31/570461331.db2.gz DCRCDRKGJUGMMG-LJQANCHMSA-N 1 0 370.468 3.582 50 0 FHAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccoc2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000095500881 570462927 /nfs/dbraw/zinc/46/29/27/570462927.db2.gz HMZFXIKBCMMVBN-MRXNPFEDSA-N 1 0 372.896 3.993 50 0 FHAARO COc1ccc(F)c(F)c1CN1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000095504296 570463936 /nfs/dbraw/zinc/46/39/36/570463936.db2.gz AFMQICIOXLODNF-QFBILLFUSA-N 1 0 360.448 3.811 50 0 FHAARO COCCC[NH+]1CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000095505755 570464322 /nfs/dbraw/zinc/46/43/22/570464322.db2.gz CHCHIDIBQVLCNM-UHFFFAOYSA-N 1 0 353.466 3.540 50 0 FHAARO c1ccc2sc(N3CCC([NH2+]CCCc4cccnc4)CC3)nc2c1 ZINC000095518407 570466921 /nfs/dbraw/zinc/46/69/21/570466921.db2.gz NHMZUICWVJUQEM-UHFFFAOYSA-N 1 0 352.507 3.883 50 0 FHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccnc2Oc2ccccc2F)C1 ZINC000095521245 570467410 /nfs/dbraw/zinc/46/74/10/570467410.db2.gz PIRJUUUTBGVMLW-OAHLLOKOSA-N 1 0 372.444 3.961 50 0 FHAARO CSc1ncc(CN2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)cn1 ZINC000095524563 570468437 /nfs/dbraw/zinc/46/84/37/570468437.db2.gz HZXBAZUEXLDPRG-IBGZPJMESA-N 1 0 368.550 3.652 50 0 FHAARO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(Cl)cc2c1OCOC2 ZINC000247807575 570492191 /nfs/dbraw/zinc/49/21/91/570492191.db2.gz APWWJBQESGQYHV-JLZZUVOBSA-N 1 0 365.857 3.513 50 0 FHAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)c1cccc(Cl)c1 ZINC000002514730 570523413 /nfs/dbraw/zinc/52/34/13/570523413.db2.gz ZSFVUHVKLGOLBA-UHFFFAOYSA-N 1 0 371.864 3.910 50 0 FHAARO COc1ccc(OC)c(C[NH+]2CCC(N(C(C)=O)c3ccccc3)CC2)c1 ZINC000034682478 570531664 /nfs/dbraw/zinc/53/16/64/570531664.db2.gz YZGHCLLSQKCJBE-UHFFFAOYSA-N 1 0 368.477 3.721 50 0 FHAARO CCOc1cc(C[NH2+]CCCO)cc(Cl)c1OCc1ccccc1F ZINC000002862265 570539871 /nfs/dbraw/zinc/53/98/71/570539871.db2.gz PAQBBPLOWLRGNO-UHFFFAOYSA-N 1 0 367.848 3.929 50 0 FHAARO O=C(Nc1ccnn1C1CCCCC1)N1CCN(Cc2ccccc2)CC1 ZINC000111744965 570542278 /nfs/dbraw/zinc/54/22/78/570542278.db2.gz VVYOQOOIPBRVPR-UHFFFAOYSA-N 1 0 367.497 3.738 50 0 FHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000003164355 570553003 /nfs/dbraw/zinc/55/30/03/570553003.db2.gz HBHABMJNQNMUFE-IBGZPJMESA-N 1 0 355.401 3.925 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc3ccc(C)cc3nc2s1 ZINC000004885937 570554319 /nfs/dbraw/zinc/55/43/19/570554319.db2.gz XMCCBLGPGNRIMO-INIZCTEOSA-N 1 0 353.491 3.972 50 0 FHAARO Cc1ccc(C2=NN(C(=O)CC[NH+]3CCCC3)[C@@H](c3ccco3)C2)cc1 ZINC000004897838 570556103 /nfs/dbraw/zinc/55/61/03/570556103.db2.gz JXJRLWASGFFJBH-LJQANCHMSA-N 1 0 351.450 3.752 50 0 FHAARO O[C@H](C[NH+]1CCC(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)C(F)(F)F ZINC000004025216 570573150 /nfs/dbraw/zinc/57/31/50/570573150.db2.gz VZHSQILNSFBNRO-MRXNPFEDSA-N 1 0 373.806 3.833 50 0 FHAARO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000004263227 570582179 /nfs/dbraw/zinc/58/21/79/570582179.db2.gz CAXSVUUVCAKDSH-MRXNPFEDSA-N 1 0 352.261 3.791 50 0 FHAARO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000004263226 570582297 /nfs/dbraw/zinc/58/22/97/570582297.db2.gz CAXSVUUVCAKDSH-INIZCTEOSA-N 1 0 352.261 3.791 50 0 FHAARO CCCC[NH+](CCCC)CCn1cnc2c3cc(F)ccc3[nH]c2c1=O ZINC000005152231 570591621 /nfs/dbraw/zinc/59/16/21/570591621.db2.gz SJYWFHUWGFRXOS-UHFFFAOYSA-N 1 0 358.461 3.919 50 0 FHAARO Cn1cccc1[C@@H](CNC(=O)c1ccc(F)cc1F)[NH+]1CCCCCC1 ZINC000011846332 570596344 /nfs/dbraw/zinc/59/63/44/570596344.db2.gz VMHMNLCICBYHIA-LJQANCHMSA-N 1 0 361.436 3.650 50 0 FHAARO CN(C(=O)CC1=CCCCC1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011874465 570598088 /nfs/dbraw/zinc/59/80/88/570598088.db2.gz NVXXDWUJXZRVIL-NRFANRHFSA-N 1 0 352.522 3.967 50 0 FHAARO Brc1ccc(CSc2nnc(C3CC[NH2+]CC3)o2)cc1 ZINC000011903935 570599460 /nfs/dbraw/zinc/59/94/60/570599460.db2.gz CDXJWZWSLFNDHN-UHFFFAOYSA-N 1 0 354.273 3.591 50 0 FHAARO Fc1ccccc1N1CCN(C2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000004712146 570602997 /nfs/dbraw/zinc/60/29/97/570602997.db2.gz LVVWIRQWTFKIOR-AABGKKOBSA-N 1 0 369.528 3.624 50 0 FHAARO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCc2ccccc2C1 ZINC000004746293 570604483 /nfs/dbraw/zinc/60/44/83/570604483.db2.gz IUAONBMJEDCALY-FQEVSTJZSA-N 1 0 352.453 3.623 50 0 FHAARO O=C([C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCc2ccccc2C1 ZINC000004746197 570604615 /nfs/dbraw/zinc/60/46/15/570604615.db2.gz ZZXDFSHHBHAVRL-FQEVSTJZSA-N 1 0 352.453 3.623 50 0 FHAARO Cc1nc([C@@H](C)N(C)C(=O)NCc2cn3c(cccc3C)n2)c(C)s1 ZINC000426475287 570607159 /nfs/dbraw/zinc/60/71/59/570607159.db2.gz AWAMPYWKQXXIEX-GFCCVEGCSA-N 1 0 357.483 3.619 50 0 FHAARO Cc1ccc(-c2cccc(C(=O)NC[C@@H](c3ccccc3C)[NH+](C)C)c2)nn1 ZINC000426552088 570615725 /nfs/dbraw/zinc/61/57/25/570615725.db2.gz YCEHVOVGKFMNEM-QFIPXVFZSA-N 1 0 374.488 3.793 50 0 FHAARO C[C@@H]([NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C)C12CC3CC(CC(C3)C1)C2 ZINC000004993736 570617041 /nfs/dbraw/zinc/61/70/41/570617041.db2.gz WNYJDWDAJPOGKP-YMXMSLLWSA-N 1 0 353.510 3.572 50 0 FHAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000075610401 570632868 /nfs/dbraw/zinc/63/28/68/570632868.db2.gz VGUULGAXGWTCAJ-ZDUSSCGKSA-N 1 0 353.536 3.684 50 0 FHAARO COc1ccc(CC[NH2+]C2CCN(Cc3ccccc3)CC2)cc1OC ZINC000005484900 570663004 /nfs/dbraw/zinc/66/30/04/570663004.db2.gz IAPZOQVPRJPFDJ-UHFFFAOYSA-N 1 0 354.494 3.501 50 0 FHAARO CCOc1ccc([C@@]2(O)C[N+](c3ccccc3C)=C3CCCCN32)cc1 ZINC000002966433 570678935 /nfs/dbraw/zinc/67/89/35/570678935.db2.gz ITYFREBULDKZJN-QFIPXVFZSA-N 1 0 351.470 3.654 50 0 FHAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccccc1C ZINC000010314085 570699895 /nfs/dbraw/zinc/69/98/95/570699895.db2.gz SYPMBAUGNKBCJS-UHFFFAOYSA-N 1 0 365.477 3.959 50 0 FHAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000155536940 570701447 /nfs/dbraw/zinc/70/14/47/570701447.db2.gz UWXJJNYRSXDRJP-HXUWFJFHSA-N 1 0 352.478 3.614 50 0 FHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C=C(C)C ZINC000011662882 570704609 /nfs/dbraw/zinc/70/46/09/570704609.db2.gz WVDOWSGQYWAPTG-FQEVSTJZSA-N 1 0 358.526 3.764 50 0 FHAARO Cc1cccc(OCC(=O)N2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)c1 ZINC000011815006 570707629 /nfs/dbraw/zinc/70/76/29/570707629.db2.gz OWYUZLCGQVGUTB-HXUWFJFHSA-N 1 0 358.526 3.590 50 0 FHAARO c1ccc(-c2noc(CN3CCC([N@@H+]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000011843453 570709856 /nfs/dbraw/zinc/70/98/56/570709856.db2.gz OBNNCLJBKSQYCN-UHFFFAOYSA-N 1 0 374.488 3.759 50 0 FHAARO O=C(CCc1cccc(F)c1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011873406 570710424 /nfs/dbraw/zinc/71/04/24/570710424.db2.gz GZOMVKTVYHDMQY-NRFANRHFSA-N 1 0 354.469 3.582 50 0 FHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2ccccc2)on1 ZINC000011905196 570711507 /nfs/dbraw/zinc/71/15/07/570711507.db2.gz YHBPFSLYJPTCCC-FQEVSTJZSA-N 1 0 361.445 3.909 50 0 FHAARO O=C(CCc1ccsc1)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011999594 570713594 /nfs/dbraw/zinc/71/35/94/570713594.db2.gz OKKDYZBSTAYNQZ-HXUWFJFHSA-N 1 0 356.535 3.894 50 0 FHAARO COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccc2F)cc1O ZINC000012023920 570714532 /nfs/dbraw/zinc/71/45/32/570714532.db2.gz JKEMRLNKWFQXDD-QGZVFWFLSA-N 1 0 367.424 3.893 50 0 FHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)cc1 ZINC000012073003 570716766 /nfs/dbraw/zinc/71/67/66/570716766.db2.gz MAUZUJXQFZJQSQ-IBGZPJMESA-N 1 0 367.445 3.577 50 0 FHAARO CC(=O)c1cc(C(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cs1 ZINC000012075511 570717018 /nfs/dbraw/zinc/71/70/18/570717018.db2.gz HGCBFQYIOUEWNW-LJQANCHMSA-N 1 0 370.518 3.778 50 0 FHAARO O=C1CC[C@H](CC[NH2+]CCOc2ccccc2)N1CCCc1ccccc1 ZINC000012098749 570717991 /nfs/dbraw/zinc/71/79/91/570717991.db2.gz MHHYMEOMVVNCIL-OAQYLSRUSA-N 1 0 366.505 3.669 50 0 FHAARO O=C(c1ccoc1)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012201981 570727234 /nfs/dbraw/zinc/72/72/34/570727234.db2.gz CIEGLSIIRWDMDN-MRXNPFEDSA-N 1 0 374.431 3.932 50 0 FHAARO Cc1cccc(C[N@@H+]2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)c1 ZINC000012245353 570730720 /nfs/dbraw/zinc/73/07/20/570730720.db2.gz DUINJHYKHAMKKS-HSZRJFAPSA-N 1 0 360.457 3.866 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCO)c(C)o2)c(OC)c1C ZINC000012298271 570733364 /nfs/dbraw/zinc/73/33/64/570733364.db2.gz BCGWMMDBAIJEJK-INIZCTEOSA-N 1 0 374.481 3.713 50 0 FHAARO CCCn1cc(CN(CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000012301913 570733854 /nfs/dbraw/zinc/73/38/54/570733854.db2.gz WJAHRVFVZGMPNY-QFIPXVFZSA-N 1 0 368.569 3.988 50 0 FHAARO O=C(C[NH+]1CCCCCC1)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000012386073 570741258 /nfs/dbraw/zinc/74/12/58/570741258.db2.gz YJYSJWZQELTELZ-LJQANCHMSA-N 1 0 364.493 3.513 50 0 FHAARO CCc1ccc(-c2cc(C(F)(F)F)nc(N3CCC([NH3+])CC3)n2)cc1 ZINC000012396826 570741759 /nfs/dbraw/zinc/74/17/59/570741759.db2.gz AEVSVHOZFJMYEL-UHFFFAOYSA-N 1 0 350.388 3.652 50 0 FHAARO c1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)n[nH]1 ZINC000012434263 570744624 /nfs/dbraw/zinc/74/46/24/570744624.db2.gz BNVBWMNOCRKQKO-FQEVSTJZSA-N 1 0 367.541 3.852 50 0 FHAARO CCn1ccnc1CN(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012441882 570746161 /nfs/dbraw/zinc/74/61/61/570746161.db2.gz ORORYZZDOOUFQI-FQEVSTJZSA-N 1 0 354.542 3.598 50 0 FHAARO C[NH+](C)CCCN(C(=O)Cc1ccccc1)c1nc2c(cccc2F)s1 ZINC000004359781 570758614 /nfs/dbraw/zinc/75/86/14/570758614.db2.gz WEURFFNWIOSMHO-UHFFFAOYSA-N 1 0 371.481 3.963 50 0 FHAARO CSCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000032675929 570767421 /nfs/dbraw/zinc/76/74/21/570767421.db2.gz LEALMLATPOCJBJ-UHFFFAOYSA-N 1 0 355.507 3.554 50 0 FHAARO COc1ccc(Br)cc1CN1CCC([NH+]2CCCC2)CC1 ZINC000004745784 570774492 /nfs/dbraw/zinc/77/44/92/570774492.db2.gz VAEZWPCDCVNLLC-UHFFFAOYSA-N 1 0 353.304 3.518 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000014140705 570808530 /nfs/dbraw/zinc/80/85/30/570808530.db2.gz QHAPNGLKGXBEHN-LJQANCHMSA-N 1 0 358.869 3.916 50 0 FHAARO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cccc(C)c3C)CC2)c1 ZINC000032824788 570816640 /nfs/dbraw/zinc/81/66/40/570816640.db2.gz GHZYLFMBQVXAIN-UHFFFAOYSA-N 1 0 365.521 3.554 50 0 FHAARO CC[NH+](CC)CC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C ZINC000014956433 570826936 /nfs/dbraw/zinc/82/69/36/570826936.db2.gz PMBVUZZROSQHAK-GOSISDBHSA-N 1 0 368.525 3.652 50 0 FHAARO CC[N@H+](CC(=O)NC(=O)Nc1ccccc1F)[C@H](C)c1cccc(OC)c1 ZINC000032927248 570867338 /nfs/dbraw/zinc/86/73/38/570867338.db2.gz FHTWWWKIUYLNDP-CQSZACIVSA-N 1 0 373.428 3.566 50 0 FHAARO COc1ccccc1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000032930084 570870736 /nfs/dbraw/zinc/87/07/36/570870736.db2.gz ZLBNOILUZUZZHV-GOSISDBHSA-N 1 0 366.505 3.786 50 0 FHAARO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000047324735 570885151 /nfs/dbraw/zinc/88/51/51/570885151.db2.gz IHMJIKROZKHOQG-UHFFFAOYSA-N 1 0 358.873 3.830 50 0 FHAARO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019790423 570902857 /nfs/dbraw/zinc/90/28/57/570902857.db2.gz ZLTZPHKCSHMOCY-NRFANRHFSA-N 1 0 368.521 3.546 50 0 FHAARO CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000045004489 570904839 /nfs/dbraw/zinc/90/48/39/570904839.db2.gz MJKQQJYJPXUONT-ZWKOTPCHSA-N 1 0 360.498 3.632 50 0 FHAARO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000045974105 570916998 /nfs/dbraw/zinc/91/69/98/570916998.db2.gz OTDRVPYCWXYOIG-UHFFFAOYSA-N 1 0 365.477 3.814 50 0 FHAARO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000020540531 570919544 /nfs/dbraw/zinc/91/95/44/570919544.db2.gz VNHQGFSJBCODAW-HXUWFJFHSA-N 1 0 357.542 3.614 50 0 FHAARO Cc1ccc2[nH]c([C@@H](C)Nc3cc(C4CC[NH2+]CC4)nc(C)n3)nc2c1 ZINC000046073018 570923779 /nfs/dbraw/zinc/92/37/79/570923779.db2.gz ITUKMDDIQJUPKA-CYBMUJFWSA-N 1 0 350.470 3.610 50 0 FHAARO O=C(c1ccccc1-c1ccccc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000047851445 570931353 /nfs/dbraw/zinc/93/13/53/570931353.db2.gz CLSOSLTVHUNLML-FQEVSTJZSA-N 1 0 364.489 3.681 50 0 FHAARO CSc1nc2ccccc2n1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000021841856 570935338 /nfs/dbraw/zinc/93/53/38/570935338.db2.gz BCEAKODLHFHDJD-UHFFFAOYSA-N 1 0 356.470 3.677 50 0 FHAARO Cc1noc(C)c1CC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048311109 570943733 /nfs/dbraw/zinc/94/37/33/570943733.db2.gz LAXRRWSRNZJTBO-IYBDPMFKSA-N 1 0 369.509 3.628 50 0 FHAARO CCC(=O)Nc1ccc(C)c(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000048325050 570945867 /nfs/dbraw/zinc/94/58/67/570945867.db2.gz VHCVRVKHEXEXQY-UHFFFAOYSA-N 1 0 372.513 3.683 50 0 FHAARO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000022923118 570953079 /nfs/dbraw/zinc/95/30/79/570953079.db2.gz ZITJEYGHRXEHNH-UXHICEINSA-N 1 0 363.590 3.658 50 0 FHAARO c1c(CN2CC[NH+](Cc3cccc4ccccc43)CC2)nc2ccccn12 ZINC000022922809 570953267 /nfs/dbraw/zinc/95/32/67/570953267.db2.gz DTHVSVXEVQAVTH-UHFFFAOYSA-N 1 0 356.473 3.805 50 0 FHAARO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022935494 570953764 /nfs/dbraw/zinc/95/37/64/570953764.db2.gz AXDBQCZCBYGCGZ-QGZVFWFLSA-N 1 0 371.912 3.527 50 0 FHAARO Cc1cc(-n2cc(-c3cc(C(=O)N(C)C)c4cccc(C)c4n3)cn2)cc[nH+]1 ZINC000023128546 570956866 /nfs/dbraw/zinc/95/68/66/570956866.db2.gz XKSLJPLSFUAQCS-UHFFFAOYSA-N 1 0 371.444 3.801 50 0 FHAARO COc1cccc(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)c1OC ZINC000048784736 570959810 /nfs/dbraw/zinc/95/98/10/570959810.db2.gz MKGMNMABZAMRJK-UHFFFAOYSA-N 1 0 357.454 3.524 50 0 FHAARO Cc1nccn1CCC1CCN(C(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)CC1 ZINC000023430464 570963699 /nfs/dbraw/zinc/96/36/99/570963699.db2.gz BODACRVRLCXCPF-KRWDZBQOSA-N 1 0 372.538 3.620 50 0 FHAARO Cc1nccn1Cc1ccccc1NC(=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023580857 570965477 /nfs/dbraw/zinc/96/54/77/570965477.db2.gz HCIJHBQPKGEFGJ-KRWDZBQOSA-N 1 0 366.490 3.978 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)cc3F)c(C)c2)CC1 ZINC000024094577 570971670 /nfs/dbraw/zinc/97/16/70/570971670.db2.gz WKJXLOXAWJEUQE-UHFFFAOYSA-N 1 0 371.456 3.537 50 0 FHAARO O=C(Cc1c[nH]c2ccccc12)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000028037978 570997014 /nfs/dbraw/zinc/99/70/14/570997014.db2.gz RAYSXXCMASRCDV-UHFFFAOYSA-N 1 0 353.491 3.506 50 0 FHAARO Cc1cc(C)cc(OCC[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000025828584 571000935 /nfs/dbraw/zinc/00/09/35/571000935.db2.gz QGQWHMDVBBBQRA-UHFFFAOYSA-N 1 0 352.478 3.577 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000027583954 571015195 /nfs/dbraw/zinc/01/51/95/571015195.db2.gz LKUWRPIOWKLLTF-NRFANRHFSA-N 1 0 352.478 3.717 50 0 FHAARO Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027663924 571018031 /nfs/dbraw/zinc/01/80/31/571018031.db2.gz GDFAWUPTAPFXKQ-QGZVFWFLSA-N 1 0 358.507 3.779 50 0 FHAARO O=C(COc1ccc(Cl)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027939003 571023209 /nfs/dbraw/zinc/02/32/09/571023209.db2.gz AZJMNOCUMAPMOT-UHFFFAOYSA-N 1 0 372.896 3.542 50 0 FHAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2sccc2-c2ccccc2)C1 ZINC000028011662 571026256 /nfs/dbraw/zinc/02/62/56/571026256.db2.gz YLHMMXAFQXWODP-QGZVFWFLSA-N 1 0 358.507 3.502 50 0 FHAARO COc1cccc(NC2CC[NH+](CCc3nc4ccccc4n3C)CC2)c1 ZINC000225403436 571033128 /nfs/dbraw/zinc/03/31/28/571033128.db2.gz LRHUCLTYNHJLPD-UHFFFAOYSA-N 1 0 364.493 3.701 50 0 FHAARO CC[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F)C(C)C ZINC000225472813 571038178 /nfs/dbraw/zinc/03/81/78/571038178.db2.gz UWTJNLBDJUKJNA-IKGGRYGDSA-N 1 0 356.432 3.848 50 0 FHAARO COc1ccccc1NC1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000225464502 571037278 /nfs/dbraw/zinc/03/72/78/571037278.db2.gz ZSSXECVSRJAMOW-UHFFFAOYSA-N 1 0 364.493 3.701 50 0 FHAARO COC(=O)c1oc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1C ZINC000029833290 571044297 /nfs/dbraw/zinc/04/42/97/571044297.db2.gz FXICGFMXZXFSAN-AWEZNQCLSA-N 1 0 354.406 3.895 50 0 FHAARO CCc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000008394754 571045011 /nfs/dbraw/zinc/04/50/11/571045011.db2.gz HAJLSVZWWIZPKO-FPOVZHCZSA-N 1 0 370.518 3.554 50 0 FHAARO Cc1oc(C(=O)NC[C@@]2(C)CC[N@@H+](C)C2)cc1COc1ccc(C)cc1 ZINC000670472113 571049479 /nfs/dbraw/zinc/04/94/79/571049479.db2.gz OBIYXDCEDOCJIM-OAQYLSRUSA-N 1 0 356.466 3.547 50 0 FHAARO COCc1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000072294180 571050211 /nfs/dbraw/zinc/05/02/11/571050211.db2.gz CGPXEKSHESRPAP-GOSISDBHSA-N 1 0 367.493 3.961 50 0 FHAARO CN(CC(F)(F)F)C(=O)CN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000083858998 571053986 /nfs/dbraw/zinc/05/39/86/571053986.db2.gz NHZVPYDLPFDHEI-SFHVURJKSA-N 1 0 362.395 3.655 50 0 FHAARO COc1ccccc1OCCOCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000008744555 571059017 /nfs/dbraw/zinc/05/90/17/571059017.db2.gz ALULIKCKUALVGQ-LJQANCHMSA-N 1 0 356.466 3.713 50 0 FHAARO O=C(NCC[NH+]1CCCCC1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000039160827 571060672 /nfs/dbraw/zinc/06/06/72/571060672.db2.gz NRMODYXHMSYPCL-UHFFFAOYSA-N 1 0 361.489 3.905 50 0 FHAARO C[C@@H]1C[C@H](N(C)C(=O)c2cc(C3CC3)on2)CC[N@@H+]1Cc1ccccc1 ZINC000172411868 571064305 /nfs/dbraw/zinc/06/43/05/571064305.db2.gz DDGLSCJMFOJKDB-CRAIPNDOSA-N 1 0 353.466 3.677 50 0 FHAARO C[NH+](C)Cc1ccccc1CNC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000043602332 571065574 /nfs/dbraw/zinc/06/55/74/571065574.db2.gz OBGMPPLDWNCSTN-UHFFFAOYSA-N 1 0 373.526 3.969 50 0 FHAARO COc1ccccc1C[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000040024992 571069040 /nfs/dbraw/zinc/06/90/40/571069040.db2.gz PROJEITZCIARDP-UHFFFAOYSA-N 1 0 362.857 3.818 50 0 FHAARO O=C(CSCc1cccs1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000040074204 571072827 /nfs/dbraw/zinc/07/28/27/571072827.db2.gz QOBFDTKLWWQEEF-UHFFFAOYSA-N 1 0 360.548 3.546 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)CCOc1cccc(Cl)c1)c1ccsc1 ZINC000040090292 571075079 /nfs/dbraw/zinc/07/50/79/571075079.db2.gz NZGDYWUKZGMXLK-MRXNPFEDSA-N 1 0 352.887 3.590 50 0 FHAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COc2ccccc2)C1 ZINC000040107106 571078145 /nfs/dbraw/zinc/07/81/45/571078145.db2.gz CEDLHKDTRCLSMS-SFHVURJKSA-N 1 0 352.478 3.614 50 0 FHAARO Cc1ccnn1-c1ccc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000040108512 571078487 /nfs/dbraw/zinc/07/84/87/571078487.db2.gz MSSGMHBFLMPHOW-QZTJIDSGSA-N 1 0 368.525 3.669 50 0 FHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCc2nc3ccccc3s2)C1 ZINC000040118849 571080039 /nfs/dbraw/zinc/08/00/39/571080039.db2.gz SFRCPUJYFGJSAY-HOTGVXAUSA-N 1 0 359.539 3.713 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1-n1cccn1)c1ccsc1 ZINC000040154365 571086836 /nfs/dbraw/zinc/08/68/36/571086836.db2.gz CEWFDMUWPPXOKG-LJQANCHMSA-N 1 0 368.506 3.747 50 0 FHAARO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000040156742 571087670 /nfs/dbraw/zinc/08/76/70/571087670.db2.gz MWUKVNWFCWGQDX-UHFFFAOYSA-N 1 0 365.326 3.535 50 0 FHAARO COc1ccc2cc(C[N@@H+]3CCC[C@H](c4nc(C)no4)C3)c(Cl)nc2c1 ZINC000040156383 571087693 /nfs/dbraw/zinc/08/76/93/571087693.db2.gz ZWFFYPXLIDQBTN-AWEZNQCLSA-N 1 0 372.856 3.968 50 0 FHAARO Cc1c2cc(C)ccc2[nH]c1CN1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039398811 571089341 /nfs/dbraw/zinc/08/93/41/571089341.db2.gz AUUGSVIAKVYGSJ-LJQANCHMSA-N 1 0 355.526 3.596 50 0 FHAARO COc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1ccccc1C ZINC000040719396 571092184 /nfs/dbraw/zinc/09/21/84/571092184.db2.gz OJXHQJQJXYRMKG-UHFFFAOYSA-N 1 0 365.477 3.959 50 0 FHAARO CCOc1cc(C[NH2+]CCCCCO)cc(Br)c1OC(C)C ZINC000040729154 571093557 /nfs/dbraw/zinc/09/35/57/571093557.db2.gz NQAXGEMFFDDZBU-UHFFFAOYSA-N 1 0 374.319 3.887 50 0 FHAARO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000229638779 571094955 /nfs/dbraw/zinc/09/49/55/571094955.db2.gz AUWGKOZUFQIUDX-ZIFCJYIRSA-N 1 0 358.526 3.742 50 0 FHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(-n3nc(C)cc3C)c2)[C@@H](C)C1 ZINC000229890578 571095621 /nfs/dbraw/zinc/09/56/21/571095621.db2.gz VAULPUZGMTZBRF-MGPUTAFESA-N 1 0 369.513 3.683 50 0 FHAARO COc1cccc(C[NH2+]CCCCO)c1OCc1c(F)cccc1Cl ZINC000040744227 571096082 /nfs/dbraw/zinc/09/60/82/571096082.db2.gz LPDDDBPYKVZWJY-UHFFFAOYSA-N 1 0 367.848 3.929 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000084692267 571096814 /nfs/dbraw/zinc/09/68/14/571096814.db2.gz DCVHEURVXSDGDC-UYAOXDASSA-N 1 0 368.525 3.747 50 0 FHAARO Cc1c(C)n(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccc(F)cc12 ZINC000012422010 571098208 /nfs/dbraw/zinc/09/82/08/571098208.db2.gz OHVXYJFAJZYCHN-FQEVSTJZSA-N 1 0 352.453 3.816 50 0 FHAARO c1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@]34CCOC4)n2)cs1 ZINC000685942147 571102924 /nfs/dbraw/zinc/10/29/24/571102924.db2.gz FGQCMTOVLJGTGR-FXAWDEMLSA-N 1 0 367.474 3.804 50 0 FHAARO c1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)C[C@]34CCOC4)n2)cs1 ZINC000685942155 571103009 /nfs/dbraw/zinc/10/30/09/571103009.db2.gz FGQCMTOVLJGTGR-XLIONFOSSA-N 1 0 367.474 3.804 50 0 FHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(SC(F)(F)F)cc2)N1 ZINC000009318931 571104394 /nfs/dbraw/zinc/10/43/94/571104394.db2.gz PJTHFDAAKPZOAQ-ZDUSSCGKSA-N 1 0 363.368 3.745 50 0 FHAARO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000044920040 571104873 /nfs/dbraw/zinc/10/48/73/571104873.db2.gz LMARVUANNPMASS-UHFFFAOYSA-N 1 0 366.505 3.922 50 0 FHAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000244858454 571117773 /nfs/dbraw/zinc/11/77/73/571117773.db2.gz VLGJTUKONVZGLR-UHFFFAOYSA-N 1 0 366.889 3.570 50 0 FHAARO Cc1ccc(CNC(=O)CC[N@@H+]2CCCC[C@@H]2CCc2ccccn2)cc1 ZINC000244816922 571117797 /nfs/dbraw/zinc/11/77/97/571117797.db2.gz SRBSANNJISUUOK-JOCHJYFZSA-N 1 0 365.521 3.884 50 0 FHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2Cc2ccc(C)c(F)c2)C1 ZINC000244882862 571119018 /nfs/dbraw/zinc/11/90/18/571119018.db2.gz YASFMWSECJYFRE-GOSISDBHSA-N 1 0 354.469 3.797 50 0 FHAARO CN(C)C(=O)c1cccc(C[NH2+]Cc2csc(Br)c2)c1 ZINC000042201727 571120523 /nfs/dbraw/zinc/12/05/23/571120523.db2.gz MMGWYSXJPPRNNF-UHFFFAOYSA-N 1 0 353.285 3.502 50 0 FHAARO Cc1nc2ccc(C(=O)N[C@H]3CCN(C)[C@H]3c3ccc(F)c(F)c3)cc2o1 ZINC000332948802 571122160 /nfs/dbraw/zinc/12/21/60/571122160.db2.gz RUDPZZGRJUTVEV-HKUYNNGSSA-N 1 0 371.387 3.590 50 0 FHAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc(O)c3)=NN12 ZINC000010214124 571123736 /nfs/dbraw/zinc/12/37/36/571123736.db2.gz KZBDEBINOOCCMS-FQEVSTJZSA-N 1 0 363.461 3.748 50 0 FHAARO CCCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000248008362 571126995 /nfs/dbraw/zinc/12/69/95/571126995.db2.gz QDFIJXBZEVWNTC-QGZVFWFLSA-N 1 0 356.514 3.527 50 0 FHAARO Cc1cccc2[nH]c([C@H]3CCC[N@@H+]3CCC(=O)NCc3cccs3)nc21 ZINC000252484344 571132254 /nfs/dbraw/zinc/13/22/54/571132254.db2.gz FUMUHAYHHWRAKW-QGZVFWFLSA-N 1 0 368.506 3.776 50 0 FHAARO CNC(=O)c1ccc(C[N@H+](C[C@H](O)c2ccccc2)C2CCCCC2)o1 ZINC000252492027 571132967 /nfs/dbraw/zinc/13/29/67/571132967.db2.gz MBDBOUBBVGVTAM-IBGZPJMESA-N 1 0 356.466 3.508 50 0 FHAARO Clc1ccc(OCc2cccnc2)c(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000075780461 571138981 /nfs/dbraw/zinc/13/89/81/571138981.db2.gz JWPFFBZVLHYIJG-MRXNPFEDSA-N 1 0 371.912 3.888 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000033059852 571138996 /nfs/dbraw/zinc/13/89/96/571138996.db2.gz MSJFGKPIVAHBFE-OAHLLOKOSA-N 1 0 368.506 3.691 50 0 FHAARO O=C(NCC1CC[NH+](Cc2cccc(F)c2)CC1)c1cc2ccccn2c1 ZINC000033138769 571158011 /nfs/dbraw/zinc/15/80/11/571158011.db2.gz QDQLZIUZUINWMH-UHFFFAOYSA-N 1 0 365.452 3.720 50 0 FHAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[NH+]3CCC(C)CC3)c21 ZINC000033250192 571168228 /nfs/dbraw/zinc/16/82/28/571168228.db2.gz GEMSQQWDRKAJPF-UHFFFAOYSA-N 1 0 374.485 3.550 50 0 FHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)o1 ZINC000072129105 571170802 /nfs/dbraw/zinc/17/08/02/571170802.db2.gz CJHVJYYPUMHFQL-CQSZACIVSA-N 1 0 362.420 3.762 50 0 FHAARO Fc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@@H](OCc3ccccn3)C2)c1 ZINC000072145098 571172560 /nfs/dbraw/zinc/17/25/60/571172560.db2.gz KTUFKBCUTDXILP-HXUWFJFHSA-N 1 0 366.440 3.588 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)COc1ccccc1F)c1csc2ccccc21 ZINC000575621645 571173226 /nfs/dbraw/zinc/17/32/26/571173226.db2.gz QAENRRLMWRYWBA-QGZVFWFLSA-N 1 0 372.465 3.838 50 0 FHAARO O=C(c1ccc2[nH]ccc2c1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072146238 571173390 /nfs/dbraw/zinc/17/33/90/571173390.db2.gz NSCROURPYWLEEN-MDNUFGMLSA-N 1 0 371.484 3.870 50 0 FHAARO Cc1cccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000072151581 571174300 /nfs/dbraw/zinc/17/43/00/571174300.db2.gz HVELAANTQPHWDM-BHDDXSALSA-N 1 0 364.464 3.837 50 0 FHAARO CNc1nc(CN2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cs1 ZINC000072150492 571174329 /nfs/dbraw/zinc/17/43/29/571174329.db2.gz LOVUJAGETGRJRP-VAMGGRTRSA-N 1 0 368.550 3.555 50 0 FHAARO COc1ccc2[nH]c3c(c2c1)CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)CC3 ZINC000072163703 571176342 /nfs/dbraw/zinc/17/63/42/571176342.db2.gz OZHZZSHKBFEUDB-KSFYIVLOSA-N 1 0 353.510 3.799 50 0 FHAARO Cc1cccc([C@H](CNc2nc(C(C)C)nc3c2cnn3C)[NH+](C)C)c1 ZINC000072166488 571176731 /nfs/dbraw/zinc/17/67/31/571176731.db2.gz QOFQTKZNOBJPDU-KRWDZBQOSA-N 1 0 352.486 3.510 50 0 FHAARO O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000072167641 571176954 /nfs/dbraw/zinc/17/69/54/571176954.db2.gz IZFBJSLESQQMSK-GOSISDBHSA-N 1 0 350.437 3.832 50 0 FHAARO CC(C)(Nc1ccccc1)C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072169912 571177441 /nfs/dbraw/zinc/17/74/41/571177441.db2.gz CKUZXWCLSFSXTN-NRFANRHFSA-N 1 0 365.521 3.700 50 0 FHAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003280936 571178712 /nfs/dbraw/zinc/17/87/12/571178712.db2.gz DIFYZYCTJSOFFO-JTQLQIEISA-N 1 0 367.232 3.839 50 0 FHAARO Cc1cccc(OCCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000003351188 571181566 /nfs/dbraw/zinc/18/15/66/571181566.db2.gz YKPVJEFRIBUFFX-LJQANCHMSA-N 1 0 356.466 3.700 50 0 FHAARO C[NH+](C)C1(CNC(=S)Nc2ccc(OC(F)F)cc2)CCCCC1 ZINC000006335976 571181619 /nfs/dbraw/zinc/18/16/19/571181619.db2.gz NQDGFPCMXLELTJ-UHFFFAOYSA-N 1 0 357.470 3.839 50 0 FHAARO CC(C)(O)CCc1cccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000072419358 571192961 /nfs/dbraw/zinc/19/29/61/571192961.db2.gz GLYWKLPYSOZYAY-UHFFFAOYSA-N 1 0 358.526 3.527 50 0 FHAARO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)n1 ZINC000072421513 571193197 /nfs/dbraw/zinc/19/31/97/571193197.db2.gz AKGZVMKYAKXYOD-FXAWDEMLSA-N 1 0 369.534 3.507 50 0 FHAARO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2CC[C@@H](O)C2)OCO4)c1 ZINC000072421433 571193213 /nfs/dbraw/zinc/19/32/13/571193213.db2.gz WZNNELUNVQDULM-GOSISDBHSA-N 1 0 362.429 3.506 50 0 FHAARO COCCc1ncc(C[NH+]2CCC(Sc3ccccc3C)CC2)cn1 ZINC000072422733 571193694 /nfs/dbraw/zinc/19/36/94/571193694.db2.gz PPWDAVOIPXAWNK-UHFFFAOYSA-N 1 0 357.523 3.731 50 0 FHAARO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(O)cc3)C2)CN1Cc1ccccc1 ZINC000072429580 571195124 /nfs/dbraw/zinc/19/51/24/571195124.db2.gz SLNHHIZQHVUAOR-QHCPKHFHSA-N 1 0 364.489 3.797 50 0 FHAARO C[C@@H](C1CCN(C(=O)c2ncoc2-c2ccccc2)CC1)[NH+]1CCCC1 ZINC000072453813 571197303 /nfs/dbraw/zinc/19/73/03/571197303.db2.gz BRNAYGJAVGKDPI-INIZCTEOSA-N 1 0 353.466 3.678 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1Br)CC(C)C ZINC000075572436 571200914 /nfs/dbraw/zinc/20/09/14/571200914.db2.gz LFNDBJMPNMWSKM-CQSZACIVSA-N 1 0 355.320 3.935 50 0 FHAARO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000001930780 571202424 /nfs/dbraw/zinc/20/24/24/571202424.db2.gz UVVDSPUWLGISHH-UHFFFAOYSA-N 1 0 352.500 3.745 50 0 FHAARO Cc1ccc([C@@H]2CN(Cc3cncn3Cc3ccccc3)C[C@H]2[NH+](C)C)cc1 ZINC000077287730 571206133 /nfs/dbraw/zinc/20/61/33/571206133.db2.gz IYPQDLCIUOICDT-BJKOFHAPSA-N 1 0 374.532 3.769 50 0 FHAARO Cc1cc(-c2ccc(C(=O)N(C)CC[NH+](C)C)cc2)nc(-c2ccccc2)n1 ZINC000534649186 571208178 /nfs/dbraw/zinc/20/81/78/571208178.db2.gz ZCBFDLHVGYMTSM-UHFFFAOYSA-N 1 0 374.488 3.753 50 0 FHAARO O=C1CCCN1CC[C@H]1CCCC[N@H+]1Cc1ccc2cc(F)ccc2n1 ZINC000077375365 571209471 /nfs/dbraw/zinc/20/94/71/571209471.db2.gz SJYAGFNOVMPQIZ-LJQANCHMSA-N 1 0 355.457 3.741 50 0 FHAARO Cn1ccnc1C(=O)[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000077438954 571211641 /nfs/dbraw/zinc/21/16/41/571211641.db2.gz QAVGSNJVKWJEHU-INIZCTEOSA-N 1 0 366.490 3.639 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccccc2I)C1 ZINC000004907503 571213772 /nfs/dbraw/zinc/21/37/72/571213772.db2.gz KGUSTBDNXHJOLX-CHWSQXEVSA-N 1 0 359.251 3.648 50 0 FHAARO C[C@H]1C[C@H](C)C[NH+](CCOc2ccccc2I)C1 ZINC000004907502 571213876 /nfs/dbraw/zinc/21/38/76/571213876.db2.gz KGUSTBDNXHJOLX-STQMWFEESA-N 1 0 359.251 3.648 50 0 FHAARO C[C@@H](c1ccc(-c2ccc(CS(C)(=O)=O)cn2)cc1)[NH+]1CCCCC1 ZINC000426388176 571218672 /nfs/dbraw/zinc/21/86/72/571218672.db2.gz PJXPKZHCHOXENF-INIZCTEOSA-N 1 0 358.507 3.840 50 0 FHAARO Cc1ccc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)cc1 ZINC000082114907 571228676 /nfs/dbraw/zinc/22/86/76/571228676.db2.gz HCPJIJNUONQXRJ-UHFFFAOYSA-N 1 0 366.509 3.660 50 0 FHAARO O=C(Nc1ccc(F)cc1F)N[C@@H]1CCCC[N@H+](Cc2ccccn2)C1 ZINC000082136992 571229070 /nfs/dbraw/zinc/22/90/70/571229070.db2.gz ZMOLEYPZUCJONL-MRXNPFEDSA-N 1 0 360.408 3.536 50 0 FHAARO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1)N1CCCCC1 ZINC000004746164 571230649 /nfs/dbraw/zinc/23/06/49/571230649.db2.gz QAWVNVBIWZKJJF-MRXNPFEDSA-N 1 0 365.315 3.674 50 0 FHAARO Cc1cc(C(=O)NCC2([NH+]3CCCC3)CCCC2)c2cccc(C)c2n1 ZINC000082166689 571229590 /nfs/dbraw/zinc/22/95/90/571229590.db2.gz LBJCVXWEGZQMBE-UHFFFAOYSA-N 1 0 351.494 3.990 50 0 FHAARO C[NH+](C)C1(CNC(=O)N2CCC(c3cccc(O)c3)CC2)CCCCC1 ZINC000426589834 571232576 /nfs/dbraw/zinc/23/25/76/571232576.db2.gz VZEZTWQCKRNPCZ-UHFFFAOYSA-N 1 0 359.514 3.546 50 0 FHAARO Cc1ccc(C)c(C(=O)c2ccccc2C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000085651571 571233664 /nfs/dbraw/zinc/23/36/64/571233664.db2.gz UUAZMBBGZWSASN-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3c(C)nn(-c4ccccc4)c3C)[C@H]2C1 ZINC000426689815 571235273 /nfs/dbraw/zinc/23/52/73/571235273.db2.gz DNMBOWNLFLEZLM-BAGYTPMASA-N 1 0 369.509 3.648 50 0 FHAARO CC(C)c1ccccc1-c1cccc(C(=O)N2CCO[C@@H](CC[NH3+])C2)c1 ZINC000426697332 571235632 /nfs/dbraw/zinc/23/56/32/571235632.db2.gz LYQOFTUJPXQEBK-IBGZPJMESA-N 1 0 352.478 3.667 50 0 FHAARO Cn1ccnc1-c1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cc1 ZINC000426701397 571235795 /nfs/dbraw/zinc/23/57/95/571235795.db2.gz JUMGJGDKSQOXHB-UHFFFAOYSA-N 1 0 366.509 3.568 50 0 FHAARO OCCn1ccc([C@H]2CCC[N@H+](Cc3cccc(-c4ccco4)c3)C2)n1 ZINC000426711119 571236076 /nfs/dbraw/zinc/23/60/76/571236076.db2.gz BOUGUIPGPNUXCQ-IBGZPJMESA-N 1 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ZINC000091364581 571239207 /nfs/dbraw/zinc/23/92/07/571239207.db2.gz AUIODBRGCVYITK-PKOBYXMFSA-N 1 0 357.523 3.638 50 0 FHAARO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(-c2ccco2)nc2c(Cl)cccc12 ZINC000091416558 571239455 /nfs/dbraw/zinc/23/94/55/571239455.db2.gz TXOSKHZEMLVVNX-GFCCVEGCSA-N 1 0 355.825 3.630 50 0 FHAARO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000091435072 571239610 /nfs/dbraw/zinc/23/96/10/571239610.db2.gz ITACPRQUPGBJQJ-SJLPKXTDSA-N 1 0 361.445 3.564 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)cc1Cl ZINC000091445071 571239863 /nfs/dbraw/zinc/23/98/63/571239863.db2.gz XLTDNWWQUJDEQY-DLBZAZTESA-N 1 0 362.901 3.572 50 0 FHAARO CC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036098376 571241032 /nfs/dbraw/zinc/24/10/32/571241032.db2.gz KNTNIIKNFPNIOU-HKUYNNGSSA-N 1 0 373.493 3.744 50 0 FHAARO COc1cccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C(C)C)c1 ZINC000036098353 571241042 /nfs/dbraw/zinc/24/10/42/571241042.db2.gz GFJPVMASRXOODY-SFHVURJKSA-N 1 0 363.885 3.999 50 0 FHAARO O=C1CCC2(CC[NH2+]CC2)CN1CCCSc1ccc(Cl)cc1 ZINC000091635464 571241491 /nfs/dbraw/zinc/24/14/91/571241491.db2.gz TVFSGNGQZIWRAM-UHFFFAOYSA-N 1 0 352.931 3.814 50 0 FHAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](Cc1ccco1)CC2 ZINC000091644121 571241536 /nfs/dbraw/zinc/24/15/36/571241536.db2.gz KXRJPSRBEITMDH-UHFFFAOYSA-N 1 0 360.404 3.573 50 0 FHAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036099543 571241566 /nfs/dbraw/zinc/24/15/66/571241566.db2.gz MXDKJYYDVQPVBE-SFHVURJKSA-N 1 0 365.470 3.594 50 0 FHAARO CCC[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036099740 571241681 /nfs/dbraw/zinc/24/16/81/571241681.db2.gz WZRPSDPIEAUDCU-QGZVFWFLSA-N 1 0 365.420 3.625 50 0 FHAARO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COCc2ccco2)c1 ZINC000036100329 571241714 /nfs/dbraw/zinc/24/17/14/571241714.db2.gz ICASQMTZONZZLG-IBGZPJMESA-N 1 0 361.482 3.714 50 0 FHAARO COc1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc(OC)c1 ZINC000091665112 571242034 /nfs/dbraw/zinc/24/20/34/571242034.db2.gz OKVBOMQWXIGJGA-PZJWPPBQSA-N 1 0 366.505 3.800 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccncc3)CC2)C1 ZINC000091663834 571242057 /nfs/dbraw/zinc/24/20/57/571242057.db2.gz YVGOEQGXYAKAOT-OAQYLSRUSA-N 1 0 363.505 3.813 50 0 FHAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103061 571242152 /nfs/dbraw/zinc/24/21/52/571242152.db2.gz CLAIHRLMKREFKX-IBGZPJMESA-N 1 0 359.441 3.532 50 0 FHAARO O=c1c2sccc2nc(SCC[NH+]2CCCC2)n1Cc1ccccc1 ZINC000036357959 571249702 /nfs/dbraw/zinc/24/97/02/571249702.db2.gz HKYSQWVQTBAQRD-UHFFFAOYSA-N 1 0 371.531 3.694 50 0 FHAARO CCOC(=O)c1cccc(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)c1 ZINC000006877161 571252188 /nfs/dbraw/zinc/25/21/88/571252188.db2.gz VFNMZQOJCYJXJM-UHFFFAOYSA-N 1 0 373.497 3.593 50 0 FHAARO Cc1oc2c(c1C(=O)N1CCCCC1)CN(Cc1cccc(F)c1)CC2 ZINC000065292007 571260605 /nfs/dbraw/zinc/26/06/05/571260605.db2.gz COSRHMRPQYSPRW-UHFFFAOYSA-N 1 0 356.441 3.912 50 0 FHAARO COc1cc2c(cc1OC)CN(Cc1ncc(-c3ccccc3)o1)CC2 ZINC000002130040 571278907 /nfs/dbraw/zinc/27/89/07/571278907.db2.gz RXUAFHUBLYEMSI-UHFFFAOYSA-N 1 0 350.418 3.917 50 0 biogenic FHAARO CCN(C)c1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cn1 ZINC000252482018 571280230 /nfs/dbraw/zinc/28/02/30/571280230.db2.gz CWTYHERSWJFJRK-OAQYLSRUSA-N 1 0 353.466 3.550 50 0 FHAARO Cc1ccccc1-n1ncc(NC(=O)NC2CC[NH+](C)CC2)c1C(C)C ZINC000252487681 571280549 /nfs/dbraw/zinc/28/05/49/571280549.db2.gz HZNLVVKVIJESMV-UHFFFAOYSA-N 1 0 355.486 3.520 50 0 FHAARO CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3C)c2C(C)C)CC1 ZINC000252507658 571281418 /nfs/dbraw/zinc/28/14/18/571281418.db2.gz WQTMLBCEFUGURE-UHFFFAOYSA-N 1 0 369.513 3.910 50 0 FHAARO CC[C@H](C)n1ncc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1C ZINC000252508649 571281489 /nfs/dbraw/zinc/28/14/89/571281489.db2.gz XQGSBWCJBGCBHX-HNNXBMFYSA-N 1 0 372.488 3.696 50 0 FHAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000252537771 571282987 /nfs/dbraw/zinc/28/29/87/571282987.db2.gz MHMXBIYSQJQKLO-GOSISDBHSA-N 1 0 353.466 3.679 50 0 FHAARO C[N@H+](Cc1cc(=O)n2ccsc2n1)C(c1ccccc1)c1ccccc1 ZINC000007623932 571284871 /nfs/dbraw/zinc/28/48/71/571284871.db2.gz KRCKOQYYPZIRBB-UHFFFAOYSA-N 1 0 361.470 3.977 50 0 FHAARO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000170676412 571285060 /nfs/dbraw/zinc/28/50/60/571285060.db2.gz YXMKEUDBGAPEKE-OAHLLOKOSA-N 1 0 367.415 3.816 50 0 FHAARO COCCc1ccc(Oc2ccc(NC(=O)[C@@](C)([NH3+])C3CC3)cc2)cc1 ZINC000170681282 571285099 /nfs/dbraw/zinc/28/50/99/571285099.db2.gz DRSJFVPATCJQEA-NRFANRHFSA-N 1 0 354.450 3.734 50 0 FHAARO COCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037559944 571288038 /nfs/dbraw/zinc/28/80/38/571288038.db2.gz VOXHUYHCXMOGTM-UHFFFAOYSA-N 1 0 374.431 3.609 50 0 FHAARO CCOc1cccc(CNC(=O)CN2CC(C)(C)[C@H]2c2cccs2)c1 ZINC000253420035 571312815 /nfs/dbraw/zinc/31/28/15/571312815.db2.gz QLOIDJFZABITJE-LJQANCHMSA-N 1 0 358.507 3.846 50 0 FHAARO C[C@@H]1CN(C(=O)c2cccc(-c3ccc(-c4cc[nH]n4)s3)c2)[C@@H](C)C[NH2+]1 ZINC000584892363 571314782 /nfs/dbraw/zinc/31/47/82/571314782.db2.gz LZDSNGMOCBSWJZ-KGLIPLIRSA-N 1 0 366.490 3.628 50 0 FHAARO C[N@@H+]1CC[C@H](Cn2cnc3scc(-c4ccccc4Cl)c3c2=O)C1 ZINC000584893572 571314975 /nfs/dbraw/zinc/31/49/75/571314975.db2.gz CZVGZBPKFJVKTB-LBPRGKRZSA-N 1 0 359.882 3.730 50 0 FHAARO COc1ccc(OC)c(NC(=O)C[N@H+](Cc2ccccc2)C(C)(C)C)c1 ZINC000079065297 571326769 /nfs/dbraw/zinc/32/67/69/571326769.db2.gz SDOPCEBBIQXCML-UHFFFAOYSA-N 1 0 356.466 3.943 50 0 FHAARO COc1ccc(Br)cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000095394196 571329221 /nfs/dbraw/zinc/32/92/21/571329221.db2.gz IHCICUHXTRFEFK-INIZCTEOSA-N 1 0 353.304 3.518 50 0 FHAARO CCC[C@H]([NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 ZINC000095463511 571330328 /nfs/dbraw/zinc/33/03/28/571330328.db2.gz WVTLVYLGWZLITL-OKZBNKHCSA-N 1 0 371.930 3.507 50 0 FHAARO C[C@H](NC(=O)c1ccc(-n2cccn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095466112 571330401 /nfs/dbraw/zinc/33/04/01/571330401.db2.gz JJQZNWCHTXZVPX-RXVVDRJESA-N 1 0 374.488 3.513 50 0 FHAARO FC(F)n1ccnc1CC[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000095959245 571332965 /nfs/dbraw/zinc/33/29/65/571332965.db2.gz YPAHXXXXRHBAKQ-UHFFFAOYSA-N 1 0 364.421 3.646 50 0 FHAARO O=C(c1ccoc1)N1CCC([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC000095967467 571333183 /nfs/dbraw/zinc/33/31/83/571333183.db2.gz XOFUTPNABFQAIS-OAQYLSRUSA-N 1 0 361.445 3.658 50 0 FHAARO CN(C)[C@H](C[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000095973662 571333281 /nfs/dbraw/zinc/33/32/81/571333281.db2.gz LAWVWEDFYSLMIW-VQTJNVASSA-N 1 0 368.525 3.839 50 0 FHAARO Cc1nc(COc2ccc(C[NH2+]CC3([C@H](O)C(C)C)CC3)cc2)cs1 ZINC000095989211 571333521 /nfs/dbraw/zinc/33/35/21/571333521.db2.gz MYVDYPQRJJUTFQ-LJQANCHMSA-N 1 0 360.523 3.917 50 0 FHAARO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000225569664 571337209 /nfs/dbraw/zinc/33/72/09/571337209.db2.gz DEYVCSYZCNQXBH-TWJKGYNYSA-N 1 0 362.583 3.537 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2cc3ccccc3cc2O)[NH+](C)C)cc1 ZINC000002657934 571340230 /nfs/dbraw/zinc/34/02/30/571340230.db2.gz KDBFGZAURIWHGR-HXUWFJFHSA-N 1 0 364.445 3.587 50 0 FHAARO COCCN(C(=S)Nc1cc(C)cc(C)c1)C1CC[NH+](C(C)C)CC1 ZINC000002933475 571341866 /nfs/dbraw/zinc/34/18/66/571341866.db2.gz KSNUSOLMPHVXOM-UHFFFAOYSA-N 1 0 363.571 3.821 50 0 FHAARO COCCN(C(=S)Nc1cc(C)ccc1C)C1CC[NH+](C(C)C)CC1 ZINC000002933486 571341886 /nfs/dbraw/zinc/34/18/86/571341886.db2.gz JMPLOONWMQUVNC-UHFFFAOYSA-N 1 0 363.571 3.821 50 0 FHAARO CCc1ccccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccccn1 ZINC000003025936 571343608 /nfs/dbraw/zinc/34/36/08/571343608.db2.gz OCLRGTIXSVAMNR-MRXNPFEDSA-N 1 0 356.539 3.966 50 0 FHAARO CCc1ccccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccccn1 ZINC000003025935 571343637 /nfs/dbraw/zinc/34/36/37/571343637.db2.gz OCLRGTIXSVAMNR-INIZCTEOSA-N 1 0 356.539 3.966 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000003419918 571349353 /nfs/dbraw/zinc/34/93/53/571349353.db2.gz IDHDXRSZKFTLQW-KRWDZBQOSA-N 1 0 350.384 3.667 50 0 FHAARO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1c[nH]nc1C1CCCCC1 ZINC000670456209 571354517 /nfs/dbraw/zinc/35/45/17/571354517.db2.gz RRKKYIZOSSPRBD-INIZCTEOSA-N 1 0 372.538 3.913 50 0 FHAARO C[C@H](OC[C@H](O)C[N@H+](C)CCOc1ccccc1)c1ccc(Cl)cc1 ZINC000004195222 571356750 /nfs/dbraw/zinc/35/67/50/571356750.db2.gz OCSMUQVEZDDREZ-QFBILLFUSA-N 1 0 363.885 3.789 50 0 FHAARO C[C@@H](OC[C@@H](O)C[N@H+](C)CCOc1ccccc1)c1ccc(Cl)cc1 ZINC000004195224 571356814 /nfs/dbraw/zinc/35/68/14/571356814.db2.gz OCSMUQVEZDDREZ-APWZRJJASA-N 1 0 363.885 3.789 50 0 FHAARO CCCc1cc(=O)[nH]c(-c2ccc(C[N@H+](CC)[C@@H]3CCCC[C@H]3O)cc2)n1 ZINC000023192068 937119550 /nfs/dbraw/zinc/11/95/50/937119550.db2.gz KHIFNEXLWKZATJ-WOJBJXKFSA-N 1 0 369.509 3.515 50 0 FHAARO COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1OCc1cccnc1 ZINC000160622420 931109938 /nfs/dbraw/zinc/10/99/38/931109938.db2.gz CLXYRGARKYJXTH-GOSISDBHSA-N 1 0 356.466 3.716 50 0 FHAARO COc1ccc([C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(C)C)cc1 ZINC000193848244 931472305 /nfs/dbraw/zinc/47/23/05/931472305.db2.gz MNVXJDAJVOJIOS-LJQANCHMSA-N 1 0 361.530 3.954 50 0 FHAARO O=C(Nc1ccc(N2CCCC2)nc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176299282 934658928 /nfs/dbraw/zinc/65/89/28/934658928.db2.gz PYORCMVFNKUIPO-UHFFFAOYSA-N 1 0 371.529 3.600 50 0 FHAARO C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000194438870 935883199 /nfs/dbraw/zinc/88/31/99/935883199.db2.gz MUYPTMIKOYCBMU-QGZVFWFLSA-N 1 0 370.472 3.535 50 0 FHAARO Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)c2)no1 ZINC000333021230 945310785 /nfs/dbraw/zinc/31/07/85/945310785.db2.gz JAFOPEWVJBRWOV-SFHVURJKSA-N 1 0 354.454 3.781 50 0 FHAARO COc1cccc(-c2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)cc2)c1 ZINC000023398677 940335741 /nfs/dbraw/zinc/33/57/41/940335741.db2.gz HBEDYTMOPWIXGQ-UHFFFAOYSA-N 1 0 365.521 3.578 50 0 FHAARO Cc1cc(=O)[nH]c(-c2ccc(C[NH+]3CCC(c4ccncc4)CC3)cc2)n1 ZINC000023479148 940458410 /nfs/dbraw/zinc/45/84/10/940458410.db2.gz HNYWJPYMZVVQFB-UHFFFAOYSA-N 1 0 360.461 3.520 50 0 FHAARO c1cc(C[N@H+]2CCC[C@@H](c3nc(CCOCC4CCCC4)no3)C2)ccn1 ZINC000581822219 940624555 /nfs/dbraw/zinc/62/45/55/940624555.db2.gz SCDNZJBDMMLJQA-LJQANCHMSA-N 1 0 370.497 3.594 50 0 FHAARO COCc1cc(=O)[nH]c(-c2ccc(C[N@@H+]3CC[C@H]3c3ccccc3)cc2)n1 ZINC000023619143 940964624 /nfs/dbraw/zinc/96/46/24/940964624.db2.gz HNAVXNIAYXKMQU-FQEVSTJZSA-N 1 0 361.445 3.530 50 0 FHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000003681054 941116325 /nfs/dbraw/zinc/11/63/25/941116325.db2.gz CORRBDVITVBBET-OAHLLOKOSA-N 1 0 358.404 3.666 50 0 FHAARO Cc1ccc2nc(C3CC3)cc(C(=O)N(C)CC3([NH+](C)C)CCC3)c2c1 ZINC000188050046 941303624 /nfs/dbraw/zinc/30/36/24/941303624.db2.gz QSBQUZITIFWYGL-UHFFFAOYSA-N 1 0 351.494 3.977 50 0 FHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)N2CCc3ccccc3C2)o1 ZINC000079915851 942098055 /nfs/dbraw/zinc/09/80/55/942098055.db2.gz ZBAWTLDXHRNPDJ-OAHLLOKOSA-N 1 0 350.466 3.515 50 0 FHAARO Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183177927 942218159 /nfs/dbraw/zinc/21/81/59/942218159.db2.gz MMAMLPJFIWCYIM-KRWDZBQOSA-N 1 0 367.415 3.889 50 0 FHAARO O[C@@]1(c2ccccn2)CCOC2(CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000257174531 942462273 /nfs/dbraw/zinc/46/22/73/942462273.db2.gz HXOHSUBWQVBKAQ-NRFANRHFSA-N 1 0 372.896 3.768 50 0 FHAARO COC1CC[NH+](C[C@@H]2CCCCCN2C(=O)CCCc2ccccc2)CC1 ZINC000257194804 942688694 /nfs/dbraw/zinc/68/86/94/942688694.db2.gz USDMJGPJUOHYFX-NRFANRHFSA-N 1 0 372.553 3.891 50 0 FHAARO CCC[N@H+](C)CC1(O)CCC2(CCN(C(=O)c3ccsc3)CC2)CC1 ZINC000257196297 942690763 /nfs/dbraw/zinc/69/07/63/942690763.db2.gz XZAVGLHZSNYJBI-UHFFFAOYSA-N 1 0 364.555 3.617 50 0 FHAARO C[NH+]1CCC(CC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)CC1 ZINC000486210489 943454174 /nfs/dbraw/zinc/45/41/74/943454174.db2.gz OUDFFDANPVVEGK-UHFFFAOYSA-N 1 0 368.525 3.899 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2cc(F)ccc2C(C)=O)c1 ZINC000426506633 945016253 /nfs/dbraw/zinc/01/62/53/945016253.db2.gz LDFJFWXJYLASDZ-IBGZPJMESA-N 1 0 368.452 3.909 50 0 FHAARO O[C@@H](C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)c1cc(F)ccc1F ZINC000120679239 945767429 /nfs/dbraw/zinc/76/74/29/945767429.db2.gz NIYCWORKNOOCSH-IBGZPJMESA-N 1 0 357.404 3.754 50 0 FHAARO Cc1nc(/C=C/C(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cs1 ZINC000029174373 946993545 /nfs/dbraw/zinc/99/35/45/946993545.db2.gz LZYVYQGASSGLQH-IBDYFIJFSA-N 1 0 369.534 3.664 50 0 FHAARO Cn1c2ccccc2nc1-c1cccc(NC(=O)C[C@@H]2CC[NH2+]C[C@H]2F)c1 ZINC000888102007 948459413 /nfs/dbraw/zinc/45/94/13/948459413.db2.gz SWAHNLBPBNTMLL-WMLDXEAASA-N 1 0 366.440 3.517 50 0 FHAARO C[NH+]1CCC(C(=O)NCc2ccc3ncccc3c2)(c2ccccc2)CC1 ZINC000299801944 530047868 /nfs/dbraw/zinc/04/78/68/530047868.db2.gz ZELRWCCIIPTOSV-UHFFFAOYSA-N 1 0 359.473 3.515 50 0 FHAARO COC(=O)c1ccccc1C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000000538207 219305122 /nfs/dbraw/zinc/30/51/22/219305122.db2.gz NZHMAQSCHUSSSJ-UHFFFAOYSA-N 1 0 367.445 3.569 50 0 in-man FHAARO COc1cc(C(=O)CC[N@@H+]2CC[C@H](c3ccccc3)C2)cc(OC)c1OC ZINC000000890003 219336487 /nfs/dbraw/zinc/33/64/87/219336487.db2.gz CBHGHNQKXANTGW-KRWDZBQOSA-N 1 0 369.461 3.775 50 0 FHAARO C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccco3)=NN12 ZINC000000934770 219342184 /nfs/dbraw/zinc/34/21/84/219342184.db2.gz XXUYOFJZLUGSIL-INIZCTEOSA-N 1 0 357.841 3.898 50 0 FHAARO C[C@@H]1C[NH+](C2CCN(Cc3ccccc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000001167338 219384646 /nfs/dbraw/zinc/38/46/46/219384646.db2.gz AOUKAAGBQSJMAJ-HUUCEWRRSA-N 1 0 356.432 3.779 50 0 FHAARO CC(C)c1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccccc1Cl ZINC000001216935 219390832 /nfs/dbraw/zinc/39/08/32/219390832.db2.gz OZIDWDJKLNOFCK-OAHLLOKOSA-N 1 0 359.877 3.683 50 0 FHAARO Cc1ccc(OCCC[NH2+]C2CCCC2)c(I)c1 ZINC000002845383 219469271 /nfs/dbraw/zinc/46/92/71/219469271.db2.gz XAQYGDLWYVUYHF-UHFFFAOYSA-N 1 0 359.251 3.901 50 0 FHAARO c1c(-c2ccc3c(c2)OCCO3)n2c([n+]1-c1ccccc1)SCCC2 ZINC000002921924 219475449 /nfs/dbraw/zinc/47/54/49/219475449.db2.gz YIOGRSGJOKFJSL-UHFFFAOYSA-N 1 0 351.451 3.699 50 0 FHAARO O[C@H](COc1ccc2c(c1)CCC2)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004263194 219558868 /nfs/dbraw/zinc/55/88/68/219558868.db2.gz POAIZMMGKOLTOD-QHCPKHFHSA-N 1 0 365.517 3.870 50 0 FHAARO COc1ccc(CC[NH2+]Cc2nn(C(C)C)nc2-c2ccccc2)cc1 ZINC000247923950 222956810 /nfs/dbraw/zinc/95/68/10/222956810.db2.gz POARFJHEBWACNY-UHFFFAOYSA-N 1 0 350.466 3.867 50 0 FHAARO COc1ccc(C[N@H+](C[C@@H]2CCCOC2)C2CCCC2)c(OC)c1OC ZINC000252495621 222974243 /nfs/dbraw/zinc/97/42/43/222974243.db2.gz OUPCZXKSXNJOQM-INIZCTEOSA-N 1 0 363.498 3.884 50 0 FHAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]C(C)C ZINC000004992300 219635712 /nfs/dbraw/zinc/63/57/12/219635712.db2.gz NMIXOKLEGFUEFL-MOPGFXCFSA-N 1 0 358.869 3.809 50 0 FHAARO Clc1ccccc1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000006670166 219744851 /nfs/dbraw/zinc/74/48/51/219744851.db2.gz LGFMFKIDWDDPNV-UHFFFAOYSA-N 1 0 359.886 3.588 50 0 FHAARO Cc1n[nH]c(C)c1CC[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000299784659 223096977 /nfs/dbraw/zinc/09/69/77/223096977.db2.gz UQIFZNVIFMVZSP-UHFFFAOYSA-N 1 0 367.415 3.571 50 0 FHAARO COc1ccc(F)cc1-c1cccc(C(=O)NCC[C@H]2CCC[N@@H+]2C)c1 ZINC000299782812 223094898 /nfs/dbraw/zinc/09/48/98/223094898.db2.gz GEMISUISFCROJH-GOSISDBHSA-N 1 0 356.441 3.715 50 0 FHAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)Nc3cccc(OCc4ccccc4)c3)C[C@H]12 ZINC000299787604 223097623 /nfs/dbraw/zinc/09/76/23/223097623.db2.gz NZCFJEGXPMATHE-MZADTFQBSA-N 1 0 365.477 3.537 50 0 FHAARO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)Nc1cccc2c1CCC2 ZINC000299793299 223100087 /nfs/dbraw/zinc/10/00/87/223100087.db2.gz IKJUTTZZYZIYRE-NRFANRHFSA-N 1 0 364.493 3.919 50 0 FHAARO [NH3+][C@H]1CCCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000299797474 223102285 /nfs/dbraw/zinc/10/22/85/223102285.db2.gz RNYBVELXXZEONK-HNNXBMFYSA-N 1 0 350.422 3.840 50 0 FHAARO OCC1(Cc2ccccc2Cl)CC[NH+](C2CSCCSC2)CC1 ZINC000012298567 219976374 /nfs/dbraw/zinc/97/63/74/219976374.db2.gz RYZAMNKTOYRFFH-UHFFFAOYSA-N 1 0 371.999 3.806 50 0 FHAARO CCn1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)cn1 ZINC000012589705 220011181 /nfs/dbraw/zinc/01/11/81/220011181.db2.gz RNFIZHLHRBFCCM-HXUWFJFHSA-N 1 0 354.542 3.598 50 0 FHAARO O=C(CCc1cn[nH]c1)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012593267 220011337 /nfs/dbraw/zinc/01/13/37/220011337.db2.gz SOSWPMBDZRBATL-JOCHJYFZSA-N 1 0 372.557 3.627 50 0 FHAARO Cc1cccc(NC(=O)CCC2CC[NH+](CCCn3cccn3)CC2)c1 ZINC000012597117 220012616 /nfs/dbraw/zinc/01/26/16/220012616.db2.gz FHPZSGPYOQIEMO-UHFFFAOYSA-N 1 0 354.498 3.713 50 0 FHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)C(C)C)c1 ZINC000012717499 220020760 /nfs/dbraw/zinc/02/07/60/220020760.db2.gz AHTBMLNZPWHSOW-UHFFFAOYSA-N 1 0 374.525 3.961 50 0 FHAARO CCOC(=O)C1(CCOC)CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC1 ZINC000012718739 220021082 /nfs/dbraw/zinc/02/10/82/220021082.db2.gz QTEFBZJUAJRWLT-MRXNPFEDSA-N 1 0 351.487 3.763 50 0 FHAARO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1cn(C)nc1-c1cccc(Cl)c1 ZINC000012718815 220021911 /nfs/dbraw/zinc/02/19/11/220021911.db2.gz PTBMQHBDXFGMPX-LJQANCHMSA-N 1 0 374.916 3.621 50 0 FHAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)CCc4ccccn4)[C@H]3C=C12 ZINC000012659878 220016887 /nfs/dbraw/zinc/01/68/87/220016887.db2.gz WKHUDKYPKFTYKS-FEJROSIGSA-N 1 0 368.521 3.870 50 0 FHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2ccc(C)o2)C1 ZINC000012705241 220018521 /nfs/dbraw/zinc/01/85/21/220018521.db2.gz SYCUHCQTENFQLP-LJQANCHMSA-N 1 0 356.510 3.983 50 0 FHAARO C/C=C(\C)C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2=O ZINC000012764135 220026688 /nfs/dbraw/zinc/02/66/88/220026688.db2.gz ZMJZXFXQRMQFBN-MYNVMIGVSA-N 1 0 360.473 3.615 50 0 FHAARO Cn1cc(C[N@@H+]2CCCC[C@@H]2CCn2cccn2)c(-c2ccccc2F)n1 ZINC000012718982 220022949 /nfs/dbraw/zinc/02/29/49/220022949.db2.gz WGJCPPUHJAPKOA-GOSISDBHSA-N 1 0 367.472 3.868 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc[nH]c1=S)c1ccccc1Cl ZINC000012748287 220023484 /nfs/dbraw/zinc/02/34/84/220023484.db2.gz JUHMRDJUEDDYJT-INIZCTEOSA-N 1 0 363.914 3.837 50 0 FHAARO CC(=O)Nc1cccc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)c1 ZINC000012751908 220024616 /nfs/dbraw/zinc/02/46/16/220024616.db2.gz KBAMZWORRQVGMO-IBGZPJMESA-N 1 0 357.498 3.562 50 0 FHAARO CCc1cc2c(C[N@H+](C)CCOc3ccc(C)cc3)cc(=O)oc2cc1O ZINC000012855419 220035726 /nfs/dbraw/zinc/03/57/26/220035726.db2.gz OMWWJHPOQHRQBV-UHFFFAOYSA-N 1 0 367.445 3.880 50 0 FHAARO CC(C)[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)Cc1ccccc1 ZINC000012909995 220042068 /nfs/dbraw/zinc/04/20/68/220042068.db2.gz NBVACZPBDCJARY-QGZVFWFLSA-N 1 0 365.477 3.661 50 0 FHAARO COc1ccc2c(C[N@H+](C)CCOc3cc(C)cc(C)c3)cc(=O)oc2c1 ZINC000012926766 220044157 /nfs/dbraw/zinc/04/41/57/220044157.db2.gz CBTJSYQNERLIAZ-UHFFFAOYSA-N 1 0 367.445 3.929 50 0 FHAARO COc1cccc([C@H](CNC(=O)Nc2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000012984521 220050066 /nfs/dbraw/zinc/05/00/66/220050066.db2.gz XPOYLCLDWNIYKU-IBGZPJMESA-N 1 0 357.429 3.793 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 ZINC000013011231 220053025 /nfs/dbraw/zinc/05/30/25/220053025.db2.gz CSNPDIOFWORERT-AZUAARDMSA-N 1 0 354.519 3.903 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000013013655 220054002 /nfs/dbraw/zinc/05/40/02/220054002.db2.gz XXBUFDGHBYMMAV-KRWDZBQOSA-N 1 0 359.470 3.907 50 0 FHAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)Nc1ccc(F)cc1 ZINC000013363937 220065719 /nfs/dbraw/zinc/06/57/19/220065719.db2.gz OWSQYKLRGLIGOM-UHFFFAOYSA-N 1 0 359.420 3.999 50 0 FHAARO O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1ccc(Cl)cc1 ZINC000013786822 220094540 /nfs/dbraw/zinc/09/45/40/220094540.db2.gz QRZQVCAFBQBHSN-UHFFFAOYSA-O 1 0 352.845 3.681 50 0 FHAARO C[C@@H]1Oc2c(cccc2C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000014183366 220113299 /nfs/dbraw/zinc/11/32/99/220113299.db2.gz DOEWPCLDVJVGFT-RYRKJORJSA-N 1 0 350.462 3.575 50 0 FHAARO COc1ccc(Cl)cc1C[N@H+](C)C[C@@H](O)COc1cc(C)ccc1C ZINC000014200930 220116642 /nfs/dbraw/zinc/11/66/42/220116642.db2.gz FMTSCQLKKKHAPZ-GOSISDBHSA-N 1 0 363.885 3.837 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1csc(-c2cccs2)n1 ZINC000014247687 220119483 /nfs/dbraw/zinc/11/94/83/220119483.db2.gz XREWCMHUUFFIFV-CQSZACIVSA-N 1 0 363.552 3.795 50 0 FHAARO Cc1cc(C)c(C[NH+]2CCC3(CC[C@@H](CNC(=O)C(C)C)O3)CC2)cc1C ZINC000014886958 220135555 /nfs/dbraw/zinc/13/55/55/220135555.db2.gz MXHRGKMDPZSTDH-NRFANRHFSA-N 1 0 372.553 3.898 50 0 FHAARO Cn1cc(C[NH+]2CCC(CCC(=O)Nc3ccccc3Cl)CC2)cn1 ZINC000014970936 220137191 /nfs/dbraw/zinc/13/71/91/220137191.db2.gz WLRAXVDLWUDDKE-UHFFFAOYSA-N 1 0 360.889 3.704 50 0 FHAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)CCc2ccco2)C1 ZINC000014960033 220137310 /nfs/dbraw/zinc/13/73/10/220137310.db2.gz NBDIIMNCUYMUPO-HXUWFJFHSA-N 1 0 354.494 3.625 50 0 FHAARO CSc1ncc(CN(CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000014961480 220137832 /nfs/dbraw/zinc/13/78/32/220137832.db2.gz BBHBBNFXMQSGIW-LJQANCHMSA-N 1 0 370.566 3.585 50 0 FHAARO c1ccc2c(c1)CC[C@@H]([N@H+]1CCc3onc(-c4ccc5c(c4)OCO5)c3C1)C2 ZINC000014974960 220138765 /nfs/dbraw/zinc/13/87/65/220138765.db2.gz UNUAJHHUVMAEIK-GOSISDBHSA-N 1 0 374.440 3.986 50 0 FHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CC(F)(F)F ZINC000014977674 220138810 /nfs/dbraw/zinc/13/88/10/220138810.db2.gz YIDWCFAYELUJNN-MRXNPFEDSA-N 1 0 374.422 3.881 50 0 FHAARO O=C(c1ccco1)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000014979034 220139293 /nfs/dbraw/zinc/13/92/93/220139293.db2.gz GNCDWXCVURRSMW-INIZCTEOSA-N 1 0 374.431 3.932 50 0 FHAARO O=C(CCC1CC[NH+]([C@@H]2CCSC2)CC1)NCc1cccc(Cl)c1 ZINC000015065495 220143675 /nfs/dbraw/zinc/14/36/75/220143675.db2.gz FWLGVSXDWYMYAJ-GOSISDBHSA-N 1 0 366.958 3.954 50 0 FHAARO COc1cc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)cc(Cl)c1OC ZINC000015581056 220155657 /nfs/dbraw/zinc/15/56/57/220155657.db2.gz YJBXFSREUHEKJL-UHFFFAOYSA-N 1 0 374.868 3.774 50 0 FHAARO Cc1cc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1Cl ZINC000015831522 220166161 /nfs/dbraw/zinc/16/61/61/220166161.db2.gz KTSDOZMGXGWSDY-QGZVFWFLSA-N 1 0 364.917 3.894 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860289 220169104 /nfs/dbraw/zinc/16/91/04/220169104.db2.gz KJUNMPVWJXVQJR-IBGZPJMESA-N 1 0 374.456 3.695 50 0 FHAARO CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NC1CC[NH+](CC)CC1 ZINC000016580753 220187451 /nfs/dbraw/zinc/18/74/51/220187451.db2.gz GIEKRXOMYIEABJ-OAHLLOKOSA-N 1 0 359.297 3.751 50 0 FHAARO C[C@@H]1C[C@@](OC(=O)COc2ccccc2)(c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000017209008 220209876 /nfs/dbraw/zinc/20/98/76/220209876.db2.gz ORZSEJAIMNPLCR-SVMVAKDDSA-N 1 0 353.462 3.864 50 0 FHAARO Cc1cc(C)n(CCNC(=O)c2ccc([C@H]3CCC[N@H+]3C(C)C)s2)n1 ZINC000019114355 220236073 /nfs/dbraw/zinc/23/60/73/220236073.db2.gz IMHGGNRQARSOKD-MRXNPFEDSA-N 1 0 360.527 3.537 50 0 FHAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccsc3)[N@@H+]3CCC[C@@]23C1=O ZINC000019223317 220240526 /nfs/dbraw/zinc/24/05/26/220240526.db2.gz UGFKKQGKZSDJHT-WFXMLNOXSA-N 1 0 368.502 3.695 50 0 FHAARO Cc1c(C(=O)CN2CC[NH+](C3CCCCC3)CC2)c2ccccc2n1C ZINC000019371965 220253132 /nfs/dbraw/zinc/25/31/32/220253132.db2.gz YDQAIMKLJCCRDZ-UHFFFAOYSA-N 1 0 353.510 3.620 50 0 FHAARO COc1cc(OC)c(OC)cc1CN1CC[NH+](C2CCCCCC2)CC1 ZINC000019789491 220295866 /nfs/dbraw/zinc/29/58/66/220295866.db2.gz BMEUOZNQTNEGQY-UHFFFAOYSA-N 1 0 362.514 3.553 50 0 FHAARO Cc1c2cccc(C)c2[nH]c1CN1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000020363323 220324367 /nfs/dbraw/zinc/32/43/67/220324367.db2.gz QSJKAJTZELLKGF-IBGZPJMESA-N 1 0 355.526 3.596 50 0 FHAARO C[C@H]1CCC[N@H+](CCCNc2ncnc3onc(-c4ccc(F)cc4)c32)C1 ZINC000020574496 220333333 /nfs/dbraw/zinc/33/33/33/220333333.db2.gz QCHKNGXTAQQTIT-AWEZNQCLSA-N 1 0 369.444 3.958 50 0 FHAARO CC[NH+]1CCN(CCOc2ccc3ccccc3c2Br)CC1 ZINC000020406308 220326228 /nfs/dbraw/zinc/32/62/28/220326228.db2.gz QZZUYRIWQOCEOK-UHFFFAOYSA-N 1 0 363.299 3.619 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c(OC)c1)[NH2+]CC2 ZINC000020529154 220330591 /nfs/dbraw/zinc/33/05/91/220330591.db2.gz JDGBKYFUXSFRMX-OAQYLSRUSA-N 1 0 357.450 3.736 50 0 FHAARO CC(=O)c1cc(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cs1 ZINC000020786065 220342129 /nfs/dbraw/zinc/34/21/29/220342129.db2.gz ZYKXNPIOFSQGGD-HXUWFJFHSA-N 1 0 354.519 3.973 50 0 FHAARO Cc1ccc([C@](O)(C(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020868575 220343282 /nfs/dbraw/zinc/34/32/82/220343282.db2.gz HAMNPWOBGUCPBK-XZOQPEGZSA-N 1 0 353.506 3.955 50 0 FHAARO O=C(NCCC[NH+]1CCCC1)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000020865413 220343501 /nfs/dbraw/zinc/34/35/01/220343501.db2.gz NAAMOURQKOMDGX-UHFFFAOYSA-N 1 0 372.538 3.502 50 0 FHAARO COc1ccc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1O ZINC000020999171 220348305 /nfs/dbraw/zinc/34/83/05/220348305.db2.gz LGJJOGVULOYWJH-FQEVSTJZSA-N 1 0 354.494 3.540 50 0 FHAARO CC[NH+](CC)CCn1c(C)c(C)c2c3nc(-c4ccccc4)nn3cnc21 ZINC000021801855 220367354 /nfs/dbraw/zinc/36/73/54/220367354.db2.gz KTPAWMFYAJXRBI-UHFFFAOYSA-N 1 0 362.481 3.705 50 0 FHAARO O=C(NCCC[NH+]1CCCC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935332 220370778 /nfs/dbraw/zinc/37/07/78/220370778.db2.gz KAXZQSFYYOZLEI-UHFFFAOYSA-N 1 0 360.461 3.513 50 0 FHAARO C/C=C/c1cc(C(=O)NCc2ccccc2C[NH+](C)C)cc(OC)c1OC ZINC000021938520 220371816 /nfs/dbraw/zinc/37/18/16/220371816.db2.gz FRTMNUNOQJZFPN-RMKNXTFCSA-N 1 0 368.477 3.729 50 0 FHAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000022024970 220374371 /nfs/dbraw/zinc/37/43/71/220374371.db2.gz QSXPFVVNUOPVTA-IEBWSBKVSA-N 1 0 355.482 3.732 50 0 FHAARO CC(=O)Nc1sc(C)c(C)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022037288 220375782 /nfs/dbraw/zinc/37/57/82/220375782.db2.gz NVJZBSZPMXCVBY-UHFFFAOYSA-N 1 0 357.523 3.641 50 0 FHAARO COc1ccc([C@H](CNC(=O)[C@]2(C)CC2(Cl)Cl)[NH+]2CCCC2)cc1 ZINC000022620328 220393008 /nfs/dbraw/zinc/39/30/08/220393008.db2.gz RIQJABGNJDSESL-RDJZCZTQSA-N 1 0 371.308 3.532 50 0 FHAARO CC(C)c1noc2ncc(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)cc21 ZINC000022682957 220393844 /nfs/dbraw/zinc/39/38/44/220393844.db2.gz LRGZKUXYVJLONQ-KRWDZBQOSA-N 1 0 370.428 3.518 50 0 FHAARO COc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000024181945 220443248 /nfs/dbraw/zinc/44/32/48/220443248.db2.gz CCZIWDJRGJODOD-UHFFFAOYSA-N 1 0 366.505 3.930 50 0 FHAARO Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000028293109 220572492 /nfs/dbraw/zinc/57/24/92/220572492.db2.gz QARQEBLNSFNAGZ-FQEVSTJZSA-N 1 0 352.478 3.636 50 0 FHAARO C[C@@H](O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032739821 220674346 /nfs/dbraw/zinc/67/43/46/220674346.db2.gz CEWPYKVGVHOPST-OAHLLOKOSA-N 1 0 355.869 3.722 50 0 FHAARO C/C=C/c1ccc(OCC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(OC)c1 ZINC000032926383 220699255 /nfs/dbraw/zinc/69/92/55/220699255.db2.gz XGONHWFXMWMBTA-SQUITACLSA-N 1 0 374.525 3.734 50 0 FHAARO CCC(C)(C)[NH2+]CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000036396285 220819526 /nfs/dbraw/zinc/81/95/26/220819526.db2.gz UQLKKDSMZIZVJQ-UHFFFAOYSA-N 1 0 374.506 3.831 50 0 FHAARO COc1ccc(-c2nc3cc(F)ccc3n2C2CC[NH2+]CC2)cc1OC ZINC000299772528 533194958 /nfs/dbraw/zinc/19/49/58/533194958.db2.gz ATJAZTAJTWZYGW-UHFFFAOYSA-N 1 0 355.413 3.784 50 0 FHAARO CCCNC(=O)c1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000047794424 220996949 /nfs/dbraw/zinc/99/69/49/220996949.db2.gz FEZPFRPIXLRDDK-UHFFFAOYSA-N 1 0 366.440 3.645 50 0 FHAARO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000048780296 221015064 /nfs/dbraw/zinc/01/50/64/221015064.db2.gz BGMNXNZJEONVAW-INIZCTEOSA-N 1 0 360.523 3.911 50 0 FHAARO C[NH+](C)C1(CNC(=O)c2cc(-c3cccc(F)c3)no2)CCCCCC1 ZINC000048234493 221001765 /nfs/dbraw/zinc/00/17/65/221001765.db2.gz COMOOAMWEAJDIK-UHFFFAOYSA-N 1 0 359.445 3.865 50 0 FHAARO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(F)cc3F)cc2)C[C@H](C)O1 ZINC000048275205 221004182 /nfs/dbraw/zinc/00/41/82/221004182.db2.gz AOWCKKIEGUIEPC-GJZGRUSLSA-N 1 0 374.431 3.504 50 0 FHAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000049509412 221022846 /nfs/dbraw/zinc/02/28/46/221022846.db2.gz HGIYWLWZXYRHER-UHFFFAOYSA-N 1 0 366.480 3.886 50 0 FHAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000049590365 221026529 /nfs/dbraw/zinc/02/65/29/221026529.db2.gz IUBZIBIHDUTHTE-CYBMUJFWSA-N 1 0 370.371 3.530 50 0 FHAARO Cc1ncsc1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048884314 221015970 /nfs/dbraw/zinc/01/59/70/221015970.db2.gz RJZLKWCQXHSUBV-GJZGRUSLSA-N 1 0 357.523 3.859 50 0 FHAARO CN(C)c1ncc(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)s1 ZINC000055061015 221057677 /nfs/dbraw/zinc/05/76/77/221057677.db2.gz JTECSAOVHCGNNT-ZDUSSCGKSA-N 1 0 352.454 3.564 50 0 FHAARO Cc1ccc(C[N@H+](CCCO)Cc2ccc(-c3cncnc3)cc2)s1 ZINC000055060500 221057767 /nfs/dbraw/zinc/05/77/67/221057767.db2.gz SYGIDFYNTHNMBL-UHFFFAOYSA-N 1 0 353.491 3.898 50 0 FHAARO CC(=O)Oc1c(C)cc(C[NH2+]Cc2ccc3c(c2)OCCCO3)cc1C ZINC000055212044 221061855 /nfs/dbraw/zinc/06/18/55/221061855.db2.gz OFQWBCOVZRYKOT-UHFFFAOYSA-N 1 0 355.434 3.680 50 0 FHAARO Cc1nccn1-c1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055200162 221061867 /nfs/dbraw/zinc/06/18/67/221061867.db2.gz CGUKPAXJNAKFNX-UHFFFAOYSA-N 1 0 361.424 4.000 50 0 FHAARO C[C@@H](c1ccc(C(=O)N(C)CCOc2ccccc2)o1)[NH+]1CCCCC1 ZINC000055036012 221057105 /nfs/dbraw/zinc/05/71/05/221057105.db2.gz JGLAEEMDTAKXFY-KRWDZBQOSA-N 1 0 356.466 3.978 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCOc3c(Cl)cccc32)C1 ZINC000056805548 221081661 /nfs/dbraw/zinc/08/16/61/221081661.db2.gz OOFAAMJQGUBCBW-RHSMWYFYSA-N 1 0 365.905 3.585 50 0 FHAARO COc1cccc(CNC(=O)c2ccc([C@@H](C)[NH+]3CCCCC3)o2)c1OC ZINC000055358587 221067105 /nfs/dbraw/zinc/06/71/05/221067105.db2.gz MQOXAGKQWATJHA-OAHLLOKOSA-N 1 0 372.465 3.774 50 0 FHAARO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055342061 221067318 /nfs/dbraw/zinc/06/73/18/221067318.db2.gz AEHHYMSNYGSKJP-UHFFFAOYSA-N 1 0 351.385 3.831 50 0 FHAARO O=C(NCCOc1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058173176 221102404 /nfs/dbraw/zinc/10/24/04/221102404.db2.gz AORKSWVWUYNTSG-SFHVURJKSA-N 1 0 372.896 3.747 50 0 FHAARO C[NH+](C)C[C@H]1CCCCN1C(=O)COc1ccccc1-c1ccccc1 ZINC000058175445 221103792 /nfs/dbraw/zinc/10/37/92/221103792.db2.gz KIHAKAZXIDJENP-LJQANCHMSA-N 1 0 352.478 3.675 50 0 FHAARO CC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000058176724 221103798 /nfs/dbraw/zinc/10/37/98/221103798.db2.gz UDARDGYDBFRYCI-QWHCGFSZSA-N 1 0 359.857 3.976 50 0 FHAARO CCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C(C)C)cc1 ZINC000057838675 221093733 /nfs/dbraw/zinc/09/37/33/221093733.db2.gz RSKSEBOYFLXSNO-KXBFYZLASA-N 1 0 356.514 3.913 50 0 FHAARO COCc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000061568879 221133391 /nfs/dbraw/zinc/13/33/91/221133391.db2.gz XMGCZGDVVXCPAD-UHFFFAOYSA-N 1 0 358.507 3.537 50 0 FHAARO CO[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000061287667 221133420 /nfs/dbraw/zinc/13/34/20/221133420.db2.gz LRRMQTWAHHSTTD-FQEVSTJZSA-N 1 0 370.518 3.604 50 0 FHAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1ccc(F)c(Br)c1 ZINC000061718190 221134697 /nfs/dbraw/zinc/13/46/97/221134697.db2.gz VECHMBSCRWVRIG-DOTOQJQBSA-N 1 0 361.214 3.513 50 0 FHAARO Cn1ccnc1CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000058316819 221114998 /nfs/dbraw/zinc/11/49/98/221114998.db2.gz YYPFUMMDLHHMIG-UHFFFAOYSA-N 1 0 369.513 3.549 50 0 FHAARO CCC[N@H+](Cc1cccc(OC2(C(=O)[O-])CC[NH2+]CC2)c1)[C@H](C)C(C)C ZINC000063869073 221143900 /nfs/dbraw/zinc/14/39/00/221143900.db2.gz SZDSZBXASPPAOE-QGZVFWFLSA-N 1 0 362.514 3.529 50 0 FHAARO O=C(NCc1ccccc1Cl)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818099 221152204 /nfs/dbraw/zinc/15/22/04/221152204.db2.gz SRUUHTDQZPMDGQ-UHFFFAOYSA-N 1 0 358.844 3.928 50 0 FHAARO COc1ccc(NC(=O)C2=CC[N@H+](Cc3ccc(F)cc3)CC2)cc1F ZINC000064818053 221152964 /nfs/dbraw/zinc/15/29/64/221152964.db2.gz UFUFNDPTBSXNSY-UHFFFAOYSA-N 1 0 358.388 3.744 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2cccnc2)nc1 ZINC000065173710 221175462 /nfs/dbraw/zinc/17/54/62/221175462.db2.gz YCGOIZJFILMPFF-UHFFFAOYSA-N 1 0 372.472 3.538 50 0 FHAARO Cc1ccc(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000065362005 221202785 /nfs/dbraw/zinc/20/27/85/221202785.db2.gz 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C/C=C\c1ccc(OCC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(OC)c1 ZINC000097096939 222158239 /nfs/dbraw/zinc/15/82/39/222158239.db2.gz XGONHWFXMWMBTA-STISFXCESA-N 1 0 374.525 3.734 50 0 FHAARO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(OCCF)c1 ZINC000097164743 222166594 /nfs/dbraw/zinc/16/65/94/222166594.db2.gz GHOOWZMHDTUXTP-KRWDZBQOSA-N 1 0 351.466 3.667 50 0 FHAARO C[C@@H]1C[C@@H](Nc2ccc(-c3ncn(C)n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000097371267 222178089 /nfs/dbraw/zinc/17/80/89/222178089.db2.gz TXSSJMGUOVZIRN-UTKZUKDTSA-N 1 0 361.493 3.947 50 0 FHAARO COCCN(Cc1ccc(C)s1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000097729745 222208225 /nfs/dbraw/zinc/20/82/25/222208225.db2.gz XMWUJOCVXGZRMY-LJQANCHMSA-N 1 0 372.534 3.812 50 0 FHAARO O=C1C[C@@H](N2CC=C(c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000100128963 222235717 /nfs/dbraw/zinc/23/57/17/222235717.db2.gz BDQPTLZIMQUTHC-LJQANCHMSA-N 1 0 366.848 3.761 50 0 FHAARO COCC1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000112355029 222494299 /nfs/dbraw/zinc/49/42/99/222494299.db2.gz RNDXQNCIVXZPNO-FQEVSTJZSA-N 1 0 356.441 3.864 50 0 FHAARO O[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)Cn1c2ccccc2c2ccccc21 ZINC000003268723 263328667 /nfs/dbraw/zinc/32/86/67/263328667.db2.gz JBUNXWMRSNIERK-QGZVFWFLSA-N 1 0 374.440 3.674 50 0 FHAARO CCOC(=O)C1(CCOC)CC[NH+](Cc2cccc(SC)c2)CC1 ZINC000011818616 263368367 /nfs/dbraw/zinc/36/83/67/263368367.db2.gz YCCPXCOSBOTYLO-UHFFFAOYSA-N 1 0 351.512 3.590 50 0 FHAARO CCCn1ncc(C[N@@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)c1C ZINC000011954158 263369302 /nfs/dbraw/zinc/36/93/02/263369302.db2.gz OORXXAWRURJWON-JOCHJYFZSA-N 1 0 355.526 3.809 50 0 FHAARO CC(C)[NH+]1CCC(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000073435033 263424503 /nfs/dbraw/zinc/42/45/03/263424503.db2.gz BXYCKZCBBCHFCF-FQEVSTJZSA-N 1 0 355.457 3.547 50 0 FHAARO Cc1nc([C@H]2CCOC2)cc(N(C)Cc2ccccc2C[NH+]2CCCC2)n1 ZINC000426361251 263565412 /nfs/dbraw/zinc/56/54/12/263565412.db2.gz JPWWEQNDAMCJOF-FQEVSTJZSA-N 1 0 366.509 3.521 50 0 FHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000426372366 263567865 /nfs/dbraw/zinc/56/78/65/263567865.db2.gz TZTLHTZHJCFGHA-GOSISDBHSA-N 1 0 362.477 3.786 50 0 FHAARO Cc1cc(-c2ccc(C(=O)NCCCC[NH+]3CCCC3)cc2)ccc1O ZINC000426381423 263570822 /nfs/dbraw/zinc/57/08/22/263570822.db2.gz IRYCQDJPIMWIMR-UHFFFAOYSA-N 1 0 352.478 3.973 50 0 FHAARO [NH3+][C@@H]1CCCN(C(=O)c2cccc(-c3cc(C(F)(F)F)ccn3)c2)CC1 ZINC000426440403 263592601 /nfs/dbraw/zinc/59/26/01/263592601.db2.gz WBINOUGMEALMFQ-MRXNPFEDSA-N 1 0 363.383 3.721 50 0 FHAARO CC(C)c1cc(CN(C)C(=O)c2cccc(-c3c[nH+]ccc3N)c2)on1 ZINC000426507841 263613455 /nfs/dbraw/zinc/61/34/55/263613455.db2.gz HIXTVYXZCRCHQI-UHFFFAOYSA-N 1 0 350.422 3.545 50 0 FHAARO CC(=O)c1ccc(F)c(-c2ccc(C(=O)NC[C@H]3CCCC[N@H+]3C)cc2)c1 ZINC000426662233 263653234 /nfs/dbraw/zinc/65/32/34/263653234.db2.gz NFJAHBOGXGGYNI-LJQANCHMSA-N 1 0 368.452 3.909 50 0 FHAARO COc1cc(F)c(-c2cccc(C(=O)N3CCC[C@H]([NH3+])CC3)c2)cc1F ZINC000299796855 533962697 /nfs/dbraw/zinc/96/26/97/533962697.db2.gz PYASCHUORDGPDD-HNNXBMFYSA-N 1 0 360.404 3.594 50 0 FHAARO CCCOc1ccc(Br)cc1C[NH2+]CCCn1ccnc1 ZINC000020929458 520326463 /nfs/dbraw/zinc/32/64/63/520326463.db2.gz OXHYRKWCCSLYDM-UHFFFAOYSA-N 1 0 352.276 3.614 50 0 FHAARO Cc1nc([C@@H](C)NC(=O)CC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000299757737 534537983 /nfs/dbraw/zinc/53/79/83/534537983.db2.gz JBUDANRKLUXXLT-OAHLLOKOSA-N 1 0 357.523 3.931 50 0 FHAARO CCCc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)cs1 ZINC000091706918 521359970 /nfs/dbraw/zinc/35/99/70/521359970.db2.gz YLPGKIWKEGOYRA-PKOBYXMFSA-N 1 0 369.534 3.832 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000019872213 521640657 /nfs/dbraw/zinc/64/06/57/521640657.db2.gz IMWQFZGWFFEPOO-HXUWFJFHSA-N 1 0 372.484 3.987 50 0 FHAARO CCN1CC[NH+](CCCCOc2c(C)cc(C)cc2Br)CC1 ZINC000020389780 521680227 /nfs/dbraw/zinc/68/02/27/521680227.db2.gz GCPBSDVQEVOCCA-UHFFFAOYSA-N 1 0 369.347 3.862 50 0 FHAARO COC(=O)c1ccc(C[NH2+]CC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000089688816 522027422 /nfs/dbraw/zinc/02/74/22/522027422.db2.gz XBVBXOAYJGZZKB-UHFFFAOYSA-N 1 0 354.450 3.633 50 0 FHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2cc(C)ccc2C)C1 ZINC000158871295 522084363 /nfs/dbraw/zinc/08/43/63/522084363.db2.gz ODKRDBKNIXWJDN-GOSISDBHSA-N 1 0 364.489 3.606 50 0 FHAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1 ZINC000178996268 522091885 /nfs/dbraw/zinc/09/18/85/522091885.db2.gz NHQJFQVHUMIRIQ-MRXNPFEDSA-N 1 0 358.869 3.601 50 0 FHAARO CC[C@H](CO)[N@H+](Cc1cccnc1)Cc1cc(F)c(OC)c(Cl)c1 ZINC000055100183 522206957 /nfs/dbraw/zinc/20/69/57/522206957.db2.gz SUMHIWBSAXZTJG-OAHLLOKOSA-N 1 0 352.837 3.656 50 0 FHAARO CN(CC[NH+]1CCCC1)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000089899976 522832041 /nfs/dbraw/zinc/83/20/41/522832041.db2.gz ZBOJBHKBPMQYPE-HXUWFJFHSA-N 1 0 362.477 3.854 50 0 FHAARO O=C(Cc1ccc(O)c(Cl)c1)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000299800386 534699103 /nfs/dbraw/zinc/69/91/03/534699103.db2.gz VGCOUUPEEXAXCS-HNNXBMFYSA-N 1 0 350.890 3.501 50 0 FHAARO Cc1ncc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)c(C)n1 ZINC000299755541 534721959 /nfs/dbraw/zinc/72/19/59/534721959.db2.gz BHLOXNNWGAPAMT-UHOSZYNNSA-N 1 0 361.449 3.836 50 0 FHAARO COCCN(Cc1cccc2ccccc21)C(=O)C[C@@H]1CCCC[N@@H+]1C ZINC000216494279 523753844 /nfs/dbraw/zinc/75/38/44/523753844.db2.gz TYAYEEYUPUXZTA-FQEVSTJZSA-N 1 0 354.494 3.689 50 0 FHAARO C[NH+]1CCC(Oc2ccc(NC(=O)CCCOc3ccccc3)cc2)CC1 ZINC000078578793 523783035 /nfs/dbraw/zinc/78/30/35/523783035.db2.gz DQOINWIIIFDAJB-UHFFFAOYSA-N 1 0 368.477 3.957 50 0 FHAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000020100424 524046496 /nfs/dbraw/zinc/04/64/96/524046496.db2.gz VNFYBFXIIOCZNC-UHFFFAOYSA-N 1 0 352.478 3.532 50 0 FHAARO Cc1csc(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299762797 534804713 /nfs/dbraw/zinc/80/47/13/534804713.db2.gz YFPDHGVALOGGHM-KSZLIROESA-N 1 0 355.507 3.636 50 0 FHAARO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000328587297 534861691 /nfs/dbraw/zinc/86/16/91/534861691.db2.gz XRJRLYADAKFVIU-JYJNAYRXSA-N 1 0 366.937 3.682 50 0 FHAARO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000078971047 526155552 /nfs/dbraw/zinc/15/55/52/526155552.db2.gz KDFKYDUXOGKACT-QGZVFWFLSA-N 1 0 361.505 3.741 50 0 FHAARO Fc1ccccc1CN1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019842444 526410075 /nfs/dbraw/zinc/41/00/75/526410075.db2.gz LBZSQXOPUUBZDS-UHFFFAOYSA-N 1 0 367.512 3.608 50 0 FHAARO O=C(CCc1ccc(F)c(F)c1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012586202 526586691 /nfs/dbraw/zinc/58/66/91/526586691.db2.gz YMHLIVLYQAYVQZ-IBGZPJMESA-N 1 0 372.459 3.721 50 0 FHAARO Clc1ccc([C@@H](CC[NH2+]CCN2CCOCC2)c2ccccc2)cc1 ZINC000020589657 526961556 /nfs/dbraw/zinc/96/15/56/526961556.db2.gz QRKHJZKPWWACDF-NRFANRHFSA-N 1 0 358.913 3.784 50 0 FHAARO Cn1cc(CCCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21 ZINC000079501606 527186292 /nfs/dbraw/zinc/18/62/92/527186292.db2.gz NWNJCTGBSYEXAM-UHFFFAOYSA-N 1 0 355.526 3.926 50 0 FHAARO Cn1cc(CCCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079193445 527186510 /nfs/dbraw/zinc/18/65/10/527186510.db2.gz WRUDAQKEONPNRI-GHTZIAJQSA-N 1 0 367.537 3.882 50 0 FHAARO [NH3+][C@@H]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000158355778 527345838 /nfs/dbraw/zinc/34/58/38/527345838.db2.gz FLAYKYJXTJUBIN-LLVKDONJSA-N 1 0 370.305 3.609 50 0 FHAARO CC(C)n1cnnc1CN(C)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000299799923 528636519 /nfs/dbraw/zinc/63/65/19/528636519.db2.gz WFDOJLXHHVOFDU-UHFFFAOYSA-N 1 0 369.513 3.507 50 0 FHAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000008393194 535747688 /nfs/dbraw/zinc/74/76/88/535747688.db2.gz POGRZWKPISURTC-GOSISDBHSA-N 1 0 366.509 3.576 50 0 FHAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(Br)c1 ZINC000004984609 560200345 /nfs/dbraw/zinc/20/03/45/560200345.db2.gz AGZJPXXQAWUYDC-GDBMZVCRSA-N 1 0 352.272 3.870 50 0 biogenic,in-vitro FHAARO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3-n3cccn3)C2)n1 ZINC000214954556 568034387 /nfs/dbraw/zinc/03/43/87/568034387.db2.gz MFLMHXLYDIPBIZ-OAHLLOKOSA-N 1 0 369.444 3.897 50 0 FHAARO CC[C@H]1CN(Cc2ccccc2OCc2cccc(OC)c2)CC[N@@H+]1C ZINC000215164725 568055284 /nfs/dbraw/zinc/05/52/84/568055284.db2.gz NSFQCCFGCXLDEL-FQEVSTJZSA-N 1 0 354.494 3.800 50 0 FHAARO CCCCc1nc(Cl)c(CN2CCc3nc(-c4cccnc4)[nH]c3C2)[nH]1 ZINC000215192355 568056964 /nfs/dbraw/zinc/05/69/64/568056964.db2.gz PSDVHJRJZLLJFT-UHFFFAOYSA-N 1 0 370.888 3.749 50 0 FHAARO CC[C@@H](C)Sc1ncc(CN2CCC(c3ncncc3C)CC2)cn1 ZINC000215209619 568057943 /nfs/dbraw/zinc/05/79/43/568057943.db2.gz ZDTAESDQDBHTBX-OAHLLOKOSA-N 1 0 357.527 3.845 50 0 FHAARO CCCc1ncncc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000215214116 568058188 /nfs/dbraw/zinc/05/81/88/568058188.db2.gz HETLQPYSOXFTCR-IBGZPJMESA-N 1 0 372.900 3.649 50 0 FHAARO CCCc1nc(C(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)cs1 ZINC000215511688 568074332 /nfs/dbraw/zinc/07/43/32/568074332.db2.gz PXEPCEATXGXYMB-QGZVFWFLSA-N 1 0 357.523 3.705 50 0 FHAARO NC(=O)COc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1Cl ZINC000215512299 568074339 /nfs/dbraw/zinc/07/43/39/568074339.db2.gz OWMSQITZMKIBMN-KRWDZBQOSA-N 1 0 362.832 3.680 50 0 FHAARO COc1cc2c(cc1CNC(=O)c1ccc([C@@H]3CCC[NH2+]C3)cc1)CCC2 ZINC000215652329 568082034 /nfs/dbraw/zinc/08/20/34/568082034.db2.gz WVZJAJYIGGOFIV-HXUWFJFHSA-N 1 0 364.489 3.581 50 0 FHAARO CCOc1cc2c(cc1C[NH+]1CCC([C@H](O)c3ccccn3)CC1)CCC2 ZINC000215798873 568089382 /nfs/dbraw/zinc/08/93/82/568089382.db2.gz GJSJUPMAZZOJEP-QHCPKHFHSA-N 1 0 366.505 3.915 50 0 FHAARO c1csc(N2CCN(Cc3ccc(C[NH+]4CCCCC4)s3)CC2)n1 ZINC000216054331 568102871 /nfs/dbraw/zinc/10/28/71/568102871.db2.gz VDUHXQIEKDAAJV-UHFFFAOYSA-N 1 0 362.568 3.513 50 0 FHAARO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC000216067804 568103611 /nfs/dbraw/zinc/10/36/11/568103611.db2.gz GUQBIINTTJIEJX-OAHLLOKOSA-N 1 0 351.454 3.824 50 0 FHAARO C[C@@H](c1ccc(-c2ccc(CN3CC[NH+](C)CC3)cn2)cc1)[NH+]1CCCC1 ZINC000216214953 568112977 /nfs/dbraw/zinc/11/29/77/568112977.db2.gz YTPGWTJYSWUKLK-IBGZPJMESA-N 1 0 364.537 3.653 50 0 FHAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1c(-c2ccccc2)nc2ncccn12 ZINC000216272555 568115839 /nfs/dbraw/zinc/11/58/39/568115839.db2.gz KWATTZABBPTWHH-QGZVFWFLSA-N 1 0 357.461 3.854 50 0 FHAARO Cc1cc([C@H]2CCCN2Cc2c(Cl)n(C)nc2-c2cc(C)on2)on1 ZINC000216391600 568121381 /nfs/dbraw/zinc/12/13/81/568121381.db2.gz ZPLWGLAYLMMKTE-CQSZACIVSA-N 1 0 361.833 3.670 50 0 FHAARO Cc1cc([C@@H]2CCCN2Cc2c(Cl)n(C)nc2-c2cc(C)on2)on1 ZINC000216391550 568121432 /nfs/dbraw/zinc/12/14/32/568121432.db2.gz ZPLWGLAYLMMKTE-AWEZNQCLSA-N 1 0 361.833 3.670 50 0 FHAARO COc1ccc2ccccc2c1C[NH+]1CCC(Cc2noc(C)n2)CC1 ZINC000216530381 568127241 /nfs/dbraw/zinc/12/72/41/568127241.db2.gz RHTCKZXAOYJNGW-UHFFFAOYSA-N 1 0 351.450 3.995 50 0 FHAARO CC(C)c1nnc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)o1 ZINC000220733838 568359795 /nfs/dbraw/zinc/35/97/95/568359795.db2.gz ZOMOSDLUWFNIHY-CQSZACIVSA-N 1 0 360.458 3.509 50 0 FHAARO CC[NH+](CC)Cc1cc(C(=O)NCc2ccc3[nH]c(C)nc3c2)c(C)o1 ZINC000221428321 568405764 /nfs/dbraw/zinc/40/57/64/568405764.db2.gz GBBMEJHKUSIXCX-UHFFFAOYSA-N 1 0 354.454 3.545 50 0 FHAARO C[C@H](NC(=O)C1([NH+]2CCCCC2)CCCCC1)c1nncn1C1CCCC1 ZINC000223272271 568632793 /nfs/dbraw/zinc/63/27/93/568632793.db2.gz STSFOBZNYBHTNB-KRWDZBQOSA-N 1 0 373.545 3.759 50 0 FHAARO O=C(CCSCc1ccc(F)cc1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000223393308 568649890 /nfs/dbraw/zinc/64/98/90/568649890.db2.gz QGXPUYRHQWFLIB-IBGZPJMESA-N 1 0 364.530 3.926 50 0 FHAARO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1-c1ccccc1 ZINC000223730426 568713726 /nfs/dbraw/zinc/71/37/26/568713726.db2.gz ZKVYUYSAILYVRN-HXUWFJFHSA-N 1 0 364.489 3.727 50 0 FHAARO Cn1cnnc1C1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000091795204 570439515 /nfs/dbraw/zinc/43/95/15/570439515.db2.gz XPCNNJLLGAHQAE-UHFFFAOYSA-N 1 0 362.477 3.774 50 0 FHAARO Cc1cc(Cl)ccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091906908 570442013 /nfs/dbraw/zinc/44/20/13/570442013.db2.gz LCBNAMJEALTBRH-PKOBYXMFSA-N 1 0 369.896 3.780 50 0 FHAARO OC[C@H]1CN(Cc2c(Cl)cccc2Cl)C[C@H]1C[NH+]1CCCCC1 ZINC000091895032 570442117 /nfs/dbraw/zinc/44/21/17/570442117.db2.gz QVKHDSPWIIYWGT-HUUCEWRRSA-N 1 0 357.325 3.520 50 0 FHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cccn3C)CC2)C1 ZINC000092036845 570445655 /nfs/dbraw/zinc/44/56/55/570445655.db2.gz YRQZNCUSENYTBK-HXUWFJFHSA-N 1 0 365.521 3.757 50 0 FHAARO COc1c(C)cnc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1C ZINC000092061654 570446169 /nfs/dbraw/zinc/44/61/69/570446169.db2.gz KLUOMXXYZJWKCS-LEWJYISDSA-N 1 0 365.521 3.803 50 0 FHAARO CSc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000092078739 570446955 /nfs/dbraw/zinc/44/69/55/570446955.db2.gz SEQXEMAQYMKRTM-ZWKOTPCHSA-N 1 0 367.518 3.540 50 0 FHAARO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)cc1O ZINC000092107435 570447618 /nfs/dbraw/zinc/44/76/18/570447618.db2.gz KEAQZQYDTYYCEU-JOCHJYFZSA-N 1 0 372.509 3.548 50 0 FHAARO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)CC1 ZINC000095354933 570452885 /nfs/dbraw/zinc/45/28/85/570452885.db2.gz FMXNSTQGIKJQJZ-LJQANCHMSA-N 1 0 354.498 3.737 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2cccc(C)c2)C3)cc1 ZINC000095357427 570453398 /nfs/dbraw/zinc/45/33/98/570453398.db2.gz RCJUNVHVPUWQKS-PZJWPPBQSA-N 1 0 364.489 3.740 50 0 FHAARO COc1ccc([C@@H]2CN(C(=O)OCC(C)(C)C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095359594 570453858 /nfs/dbraw/zinc/45/38/58/570453858.db2.gz GWTMBRCJPLNDCL-XUVXKRRUSA-N 1 0 372.509 3.740 50 0 FHAARO Cc1ccc(CN(Cc2ccccn2)C(=O)[C@@H]2CCCCC[N@H+]2C)s1 ZINC000095365419 570455065 /nfs/dbraw/zinc/45/50/65/570455065.db2.gz CUCLPGVKWXHQID-IBGZPJMESA-N 1 0 357.523 3.855 50 0 FHAARO CSc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)c1 ZINC000095368764 570455576 /nfs/dbraw/zinc/45/55/76/570455576.db2.gz PSQVQXCXSQYRTE-VQTJNVASSA-N 1 0 353.535 3.900 50 0 FHAARO COc1cccc(C)c1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095375669 570457236 /nfs/dbraw/zinc/45/72/36/570457236.db2.gz YMXQXLNHLMXECH-WOJBJXKFSA-N 1 0 364.489 3.740 50 0 FHAARO Cc1c(Cl)cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000095375162 570457315 /nfs/dbraw/zinc/45/73/15/570457315.db2.gz NQZKSWUYMGSRNG-HNNXBMFYSA-N 1 0 371.308 3.675 50 0 FHAARO OCc1csc(N2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000095381849 570458813 /nfs/dbraw/zinc/45/88/13/570458813.db2.gz OEKSXYGOIGGLGT-HXUWFJFHSA-N 1 0 357.523 3.518 50 0 FHAARO CCOc1ccccc1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC000095383691 570459781 /nfs/dbraw/zinc/45/97/81/570459781.db2.gz KDRYGZIDHVNZGP-HXUWFJFHSA-N 1 0 364.489 3.724 50 0 FHAARO CN(CCOc1cccc(Cl)c1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095390454 570460616 /nfs/dbraw/zinc/46/06/16/570460616.db2.gz SLZYUJSPWCLIFB-GOSISDBHSA-N 1 0 372.896 3.958 50 0 FHAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccccc1OCc1ccco1)C2 ZINC000095500421 570462898 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CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1cc[nH]c1 ZINC000095530075 570470098 /nfs/dbraw/zinc/47/00/98/570470098.db2.gz YLYBJCCQJAEOMM-UHFFFAOYSA-N 1 0 353.510 3.740 50 0 FHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000002069603 570513096 /nfs/dbraw/zinc/51/30/96/570513096.db2.gz IBZWLYHKKLHJQI-UHFFFAOYSA-N 1 0 358.413 3.577 50 0 FHAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000002210295 570517045 /nfs/dbraw/zinc/51/70/45/570517045.db2.gz OKUKSUSIOFHIKJ-SFHVURJKSA-N 1 0 372.852 3.551 50 0 FHAARO Cc1ccc(C(=O)c2cccc(C[NH+]3CCC4(CC3)OCCO4)c2)c(C)c1 ZINC000002515235 570523105 /nfs/dbraw/zinc/52/31/05/570523105.db2.gz BGXWPIBKUVWBIR-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO Cc1ccc(C(=O)c2cccc(C[NH+]3CCC4(CC3)OCCO4)c2)cc1C ZINC000002515238 570523392 /nfs/dbraw/zinc/52/33/92/570523392.db2.gz WFFHGSSFKXSARS-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3cc(F)ccc3F)c2)C1 ZINC000034670352 570526899 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ZINC000004122528 570577248 /nfs/dbraw/zinc/57/72/48/570577248.db2.gz QPWTYRBROXEJQF-UHFFFAOYSA-N 1 0 364.276 3.998 50 0 FHAARO Cn1cccc1[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000011845708 570596231 /nfs/dbraw/zinc/59/62/31/570596231.db2.gz MJWBBUMUWCKPOJ-HXUWFJFHSA-N 1 0 353.510 3.890 50 0 FHAARO CC(C)c1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)no1 ZINC000124330789 570596983 /nfs/dbraw/zinc/59/69/83/570596983.db2.gz UXPJSMIUNOARIC-QUCCMNQESA-N 1 0 367.493 3.925 50 0 FHAARO CCOc1ccc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)cc1 ZINC000004598922 570597132 /nfs/dbraw/zinc/59/71/32/570597132.db2.gz URDKZDWLOQUHAL-UHFFFAOYSA-N 1 0 366.505 3.656 50 0 FHAARO CCc1nc(C)c(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)[nH]1 ZINC000011936152 570602282 /nfs/dbraw/zinc/60/22/82/570602282.db2.gz BGMJFYZUNZZLLF-LJQANCHMSA-N 1 0 372.532 3.806 50 0 FHAARO CCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(-c2cccc(=O)[nH]2)c1 ZINC000426433518 570604639 /nfs/dbraw/zinc/60/46/39/570604639.db2.gz BNWULMWHZFFHTL-UHFFFAOYSA-N 1 0 367.493 3.792 50 0 FHAARO CC(=O)c1ccc(-c2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)s1 ZINC000426504113 570613424 /nfs/dbraw/zinc/61/34/24/570613424.db2.gz VXTCQOQHUMOQON-UHFFFAOYSA-N 1 0 356.491 3.833 50 0 FHAARO C[C@H]([NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C)C12CC3CC(CC(C3)C1)C2 ZINC000004993734 570617003 /nfs/dbraw/zinc/61/70/03/570617003.db2.gz WNYJDWDAJPOGKP-DFLMZXFUSA-N 1 0 353.510 3.572 50 0 FHAARO CCCC[NH+]1CCC(NC(=O)N(CC)Cc2ccc3[nH]ccc3c2)CC1 ZINC000252528084 570623763 /nfs/dbraw/zinc/62/37/63/570623763.db2.gz FAZQBIGPQYBCNC-UHFFFAOYSA-N 1 0 356.514 3.964 50 0 FHAARO Cc1cc(C)n(Cc2cccc(-c3noc([C@H]4CC[N@H+](C)[C@@H](C)C4)n3)c2)n1 ZINC000253430470 570625554 /nfs/dbraw/zinc/62/55/54/570625554.db2.gz LOWNINHWHHNIKG-KXBFYZLASA-N 1 0 365.481 3.796 50 0 FHAARO CC(=O)Nc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(=O)c2ccc(Cl)cc2)cc1 ZINC000005481067 570628296 /nfs/dbraw/zinc/62/82/96/570628296.db2.gz XGHOWVUWSUQUJX-MOPGFXCFSA-N 1 0 356.853 3.827 50 0 FHAARO Cc1cc(=O)oc2c1ccc1c2CN(C2CC(C)(C)[NH2+]C(C)(C)C2)CO1 ZINC000006758692 570653542 /nfs/dbraw/zinc/65/35/42/570653542.db2.gz GRKOIADYNJFOEO-UHFFFAOYSA-N 1 0 356.466 3.563 50 0 FHAARO CCc1nnc2c(NCCC[N@H+]3CCCC[C@H]3CC)nc3ccccc3n12 ZINC000007504205 570664979 /nfs/dbraw/zinc/66/49/79/570664979.db2.gz BSXNCMVFUBYZRJ-MRXNPFEDSA-N 1 0 366.513 3.906 50 0 FHAARO Cc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)c1 ZINC000004275254 570667106 /nfs/dbraw/zinc/66/71/06/570667106.db2.gz GRQVDALJVYFTDA-UHFFFAOYSA-N 1 0 371.506 3.567 50 0 FHAARO COc1ccccc1[N+]1=C2CCCCN2[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000002966232 570678716 /nfs/dbraw/zinc/67/87/16/570678716.db2.gz VOORNZAPIFXLDN-FQEVSTJZSA-N 1 0 357.861 3.609 50 0 FHAARO Cc1ccccc1[N+]1=C2CCCCN2[C@](O)(c2ccc(OC(F)F)cc2)C1 ZINC000002966438 570678943 /nfs/dbraw/zinc/67/89/43/570678943.db2.gz SXGYKXDQEKSMKL-OAQYLSRUSA-N 1 0 373.423 3.857 50 0 FHAARO CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(O)cc2)N2c3ccccc3NC2=[NH+]1 ZINC000008741352 570686579 /nfs/dbraw/zinc/68/65/79/570686579.db2.gz ACTDYQWNOCNKHA-LJQANCHMSA-N 1 0 363.417 3.961 50 0 FHAARO COc1ccc(CN(C(=O)c2ccco2)[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004325759 570699193 /nfs/dbraw/zinc/69/91/93/570699193.db2.gz SUTXCIMFRCHMFF-GPMSIDNRSA-N 1 0 356.466 3.659 50 0 FHAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000011765156 570706379 /nfs/dbraw/zinc/70/63/79/570706379.db2.gz MQTJVGWFPYSRBT-NRFANRHFSA-N 1 0 354.469 3.881 50 0 FHAARO CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CC[NH+](CC(C)C)CC2 ZINC000011788144 570707091 /nfs/dbraw/zinc/70/70/91/570707091.db2.gz IYPSETUSUPLUQW-UXHICEINSA-N 1 0 358.526 3.518 50 0 FHAARO O=C(c1cccs1)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011820567 570708262 /nfs/dbraw/zinc/70/82/62/570708262.db2.gz FTDWJULHSMVGPQ-SFHVURJKSA-N 1 0 355.507 3.517 50 0 FHAARO Fc1ccc(N[C@@H]2CCC[N@@H+](C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000011821061 570708838 /nfs/dbraw/zinc/70/88/38/570708838.db2.gz HPAQVXXTKCFORW-OAQYLSRUSA-N 1 0 368.500 3.762 50 0 FHAARO CC[NH+]1CCC(N[C@@H](C)c2cnc(N3CCCCCCC3)nc2C)CC1 ZINC000011844557 570709833 /nfs/dbraw/zinc/70/98/33/570709833.db2.gz BXKDUIMUFCJLBQ-KRWDZBQOSA-N 1 0 359.562 3.690 50 0 FHAARO O=C(CCc1cccc(F)c1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011873407 570710169 /nfs/dbraw/zinc/71/01/69/570710169.db2.gz GZOMVKTVYHDMQY-OAQYLSRUSA-N 1 0 354.469 3.582 50 0 FHAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)C(C)C)CC1 ZINC000011999254 570713495 /nfs/dbraw/zinc/71/34/95/570713495.db2.gz JLMDSGVTYFRGLV-JOCHJYFZSA-N 1 0 372.553 3.871 50 0 FHAARO COc1ccc(CCC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000011997970 570713563 /nfs/dbraw/zinc/71/35/63/570713563.db2.gz VTULULMDCGTAGE-IBGZPJMESA-N 1 0 358.526 3.931 50 0 FHAARO Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cc(C)c1O ZINC000012002522 570714102 /nfs/dbraw/zinc/71/41/02/570714102.db2.gz FNDGKZXQIAJYAG-QGZVFWFLSA-N 1 0 370.468 3.790 50 0 FHAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)NC1CC1 ZINC000012024972 570714496 /nfs/dbraw/zinc/71/44/96/570714496.db2.gz OVKRQBDOTHZAEM-AWEZNQCLSA-N 1 0 354.416 3.976 50 0 FHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccc(Cl)c2)C1 ZINC000012057936 570716040 /nfs/dbraw/zinc/71/60/40/570716040.db2.gz OWZMEYWVMDILHW-OAHLLOKOSA-N 1 0 361.873 3.516 50 0 FHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)cc1 ZINC000012073001 570716705 /nfs/dbraw/zinc/71/67/05/570716705.db2.gz MAUZUJXQFZJQSQ-LJQANCHMSA-N 1 0 367.445 3.577 50 0 FHAARO Clc1cccnc1N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012075557 570717129 /nfs/dbraw/zinc/71/71/29/570717129.db2.gz JKUJKGOIOWWQSK-SFHVURJKSA-N 1 0 356.901 3.869 50 0 FHAARO COc1ccc(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)cc1F ZINC000012199939 570726701 /nfs/dbraw/zinc/72/67/01/570726701.db2.gz RZYYKZHYSRFFMW-CYBMUJFWSA-N 1 0 352.413 3.846 50 0 FHAARO CCCc1cnc(N2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)nc1 ZINC000012202535 570727297 /nfs/dbraw/zinc/72/72/97/570727297.db2.gz BPDQELHGCFIABJ-OAQYLSRUSA-N 1 0 365.525 3.563 50 0 FHAARO Cc1cccc(C[N@@H+]2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)c1 ZINC000012245354 570730969 /nfs/dbraw/zinc/73/09/69/570730969.db2.gz DUINJHYKHAMKKS-QHCPKHFHSA-N 1 0 360.457 3.866 50 0 FHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3sccc3C)C2)CC1 ZINC000012298238 570733228 /nfs/dbraw/zinc/73/32/28/570733228.db2.gz DNEGFABWTHRIIH-OAHLLOKOSA-N 1 0 364.511 3.572 50 0 FHAARO CSCc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC000012386364 570741270 /nfs/dbraw/zinc/74/12/70/570741270.db2.gz CHSSTRKGVUVPGY-GOSISDBHSA-N 1 0 372.534 3.922 50 0 FHAARO COc1cc(F)ccc1C[NH2+][C@H]1CCCc2c1cnn2-c1ccccn1 ZINC000012430715 570744404 /nfs/dbraw/zinc/74/44/04/570744404.db2.gz QFORYDKDIUHPKY-KRWDZBQOSA-N 1 0 352.413 3.582 50 0 FHAARO Cc1ncsc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012433210 570744731 /nfs/dbraw/zinc/74/47/31/570744731.db2.gz SSNNMJMYKKZCTO-SFHVURJKSA-N 1 0 371.550 3.787 50 0 FHAARO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000012432619 570744840 /nfs/dbraw/zinc/74/48/40/570744840.db2.gz LHLXRCOQOGAKRS-QFIPXVFZSA-N 1 0 370.468 3.917 50 0 FHAARO CC(=O)c1cc(CC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cs1 ZINC000012474963 570748507 /nfs/dbraw/zinc/74/85/07/570748507.db2.gz XZPLOBQWYAWQPG-KRWDZBQOSA-N 1 0 362.539 3.797 50 0 FHAARO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)Nc1cc(Cl)ccc1-n1cncn1 ZINC000229988911 570767353 /nfs/dbraw/zinc/76/73/53/570767353.db2.gz OVSPXCMOPYZHSQ-RHSMWYFYSA-N 1 0 373.888 3.514 50 0 FHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1(c2ccc(F)cc2)CC1 ZINC000032758995 570794495 /nfs/dbraw/zinc/79/44/95/570794495.db2.gz BJIKJPPJXKVKKV-FQEVSTJZSA-N 1 0 352.453 3.811 50 0 FHAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)c1 ZINC000014957491 570827020 /nfs/dbraw/zinc/82/70/20/570827020.db2.gz BZLRXSWZPHBYCA-KRWDZBQOSA-N 1 0 356.491 3.593 50 0 FHAARO CC(C)[C@H](CNC(=O)c1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000032914904 570855940 /nfs/dbraw/zinc/85/59/40/570855940.db2.gz WUWJONBMRVNKJU-KRWDZBQOSA-N 1 0 367.331 3.935 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C)cc2C)c1 ZINC000032933574 570872835 /nfs/dbraw/zinc/87/28/35/570872835.db2.gz VFRNHVGYNHGIJK-UHFFFAOYSA-N 1 0 367.493 3.627 50 0 FHAARO Cc1ccc2nc(C)c(C(=O)N3CCN(c4cc[nH+]cc4C)CC3)cc2c1 ZINC000020452825 570916664 /nfs/dbraw/zinc/91/66/64/570916664.db2.gz MJCPPQXUVPBMTC-UHFFFAOYSA-N 1 0 360.461 3.517 50 0 FHAARO CCC[C@@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000020725393 570924193 /nfs/dbraw/zinc/92/41/93/570924193.db2.gz GKOBUGRXDSTEBU-OAQYLSRUSA-N 1 0 351.494 3.710 50 0 FHAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000048128508 570935032 /nfs/dbraw/zinc/93/50/32/570935032.db2.gz NFSCTKNIPNPTPN-LLVKDONJSA-N 1 0 365.836 3.657 50 0 FHAARO O[C@@H](CN1CC[NH+](Cc2csc3ccccc23)CC1)c1ccccc1 ZINC000022927191 570953008 /nfs/dbraw/zinc/95/30/08/570953008.db2.gz KKCXXJGMANZULK-FQEVSTJZSA-N 1 0 352.503 3.753 50 0 FHAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022935501 570954053 /nfs/dbraw/zinc/95/40/53/570954053.db2.gz AXDBQCZCBYGCGZ-KRWDZBQOSA-N 1 0 371.912 3.527 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1cccs1 ZINC000023074400 570955590 /nfs/dbraw/zinc/95/55/90/570955590.db2.gz MTXPDQOFOAJIKY-MRXNPFEDSA-N 1 0 369.490 3.755 50 0 FHAARO CCc1c(C(=O)NCCC[NH+]2CCC(C)CC2)cnn1-c1ccc(C)cc1 ZINC000023109860 570956543 /nfs/dbraw/zinc/95/65/43/570956543.db2.gz ICROUIMAPFXJMG-UHFFFAOYSA-N 1 0 368.525 3.595 50 0 FHAARO CCN1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000023479849 570964216 /nfs/dbraw/zinc/96/42/16/570964216.db2.gz AAYGRTBBEGXHTF-OAQYLSRUSA-N 1 0 361.493 3.508 50 0 FHAARO O=C(Nc1ccnn1Cc1cccs1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023581262 570965221 /nfs/dbraw/zinc/96/52/21/570965221.db2.gz SRRVGMWAVPXEGY-CYBMUJFWSA-N 1 0 358.492 3.731 50 0 FHAARO Cc1ccc2nc(NCC[NH+](C)C)n3c(-c4ccccc4C)nnc3c2c1 ZINC000034699725 570970865 /nfs/dbraw/zinc/97/08/65/570970865.db2.gz LZLXLWGBQWAUOV-UHFFFAOYSA-N 1 0 360.465 3.535 50 0 FHAARO Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025331151 570994552 /nfs/dbraw/zinc/99/45/52/570994552.db2.gz FHSRLQVAQQOLKW-HNNXBMFYSA-N 1 0 372.519 3.608 50 0 FHAARO COc1cccc([C@@H](CNC(=O)c2cc(C)sc2C)[NH+]2CCCC2)c1 ZINC000027341516 571011889 /nfs/dbraw/zinc/01/18/89/571011889.db2.gz QDMDFGBKGLEPAC-LJQANCHMSA-N 1 0 358.507 3.940 50 0 FHAARO Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027580133 571014011 /nfs/dbraw/zinc/01/40/11/571014011.db2.gz SLHZIFTXWPWAHB-SFHVURJKSA-N 1 0 358.507 3.779 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027793049 571021294 /nfs/dbraw/zinc/02/12/94/571021294.db2.gz NEGFPPNZJJNQAM-IBGZPJMESA-N 1 0 372.896 3.981 50 0 FHAARO Cc1cc(C)cc(OCC(=O)N2CCC(CC[NH+]3CCCCC3)CC2)c1 ZINC000027994727 571025747 /nfs/dbraw/zinc/02/57/47/571025747.db2.gz OLKPKIAFAKYVOH-UHFFFAOYSA-N 1 0 358.526 3.797 50 0 FHAARO O=C(CC[NH+]1CCCC1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000225409201 571033806 /nfs/dbraw/zinc/03/38/06/571033806.db2.gz WHWHHUURAMERRY-UHFFFAOYSA-N 1 0 355.463 3.658 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1OC(F)F ZINC000029065597 571036551 /nfs/dbraw/zinc/03/65/51/571036551.db2.gz VORDNNSMHJWAER-UHFFFAOYSA-N 1 0 360.404 3.814 50 0 FHAARO COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(OC)c1 ZINC000008323954 571040368 /nfs/dbraw/zinc/04/03/68/571040368.db2.gz HITOWWSBWMMPGG-UHFFFAOYSA-N 1 0 360.498 3.622 50 0 FHAARO CC(C)[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[NH+](C)C ZINC000030610862 571048411 /nfs/dbraw/zinc/04/84/11/571048411.db2.gz STRUJFPUDURCFF-NRFANRHFSA-N 1 0 362.477 3.613 50 0 FHAARO CC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(C)cc1 ZINC000008735586 571058699 /nfs/dbraw/zinc/05/86/99/571058699.db2.gz BZTPRRUOHZCEQW-IBGZPJMESA-N 1 0 365.477 3.567 50 0 FHAARO C[C@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC(C)(C)C ZINC000040002632 571067458 /nfs/dbraw/zinc/06/74/58/571067458.db2.gz ZZRCCBMZLYLCCO-QFBILLFUSA-N 1 0 367.493 3.573 50 0 FHAARO COc1ccc([C@@H](CNc2nn3cc(C(C)(C)C)nc3s2)[NH+](C)C)cc1 ZINC000040039759 571069487 /nfs/dbraw/zinc/06/94/87/571069487.db2.gz GLYHOWDKKVYUKA-OAHLLOKOSA-N 1 0 373.526 3.812 50 0 FHAARO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCNc1ccccn1 ZINC000072310921 571071042 /nfs/dbraw/zinc/07/10/42/571071042.db2.gz DSBUVYYGPYWKJU-UHFFFAOYSA-N 1 0 369.900 3.798 50 0 FHAARO COc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000008917445 571072868 /nfs/dbraw/zinc/07/28/68/571072868.db2.gz BFCHERDOMKMVQI-OAQYLSRUSA-N 1 0 368.477 3.661 50 0 FHAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(F)cc1F ZINC000040107644 571078130 /nfs/dbraw/zinc/07/81/30/571078130.db2.gz WIQSICFZPSHAIO-UHFFFAOYSA-N 1 0 362.420 3.615 50 0 FHAARO CCOCCC[NH2+]Cc1cc(Br)c(OC(C)C)c(OC)c1 ZINC000040728867 571093612 /nfs/dbraw/zinc/09/36/12/571093612.db2.gz FTRJRDARXKAMSP-UHFFFAOYSA-N 1 0 360.292 3.761 50 0 FHAARO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Br)c1OC(C)C ZINC000040729025 571093668 /nfs/dbraw/zinc/09/36/68/571093668.db2.gz FMOMVQZODDDINV-AWEZNQCLSA-N 1 0 372.303 3.904 50 0 FHAARO OCCOCC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743548 571095930 /nfs/dbraw/zinc/09/59/30/571095930.db2.gz IWOPSTAKBOJWQX-UHFFFAOYSA-N 1 0 370.276 3.671 50 0 FHAARO Cc1ccc2c(CC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)coc2c1 ZINC000009217444 571101237 /nfs/dbraw/zinc/10/12/37/571101237.db2.gz UZKIGPBXJODDAS-SFHVURJKSA-N 1 0 352.434 3.830 50 0 FHAARO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000044852848 571103215 /nfs/dbraw/zinc/10/32/15/571103215.db2.gz VJJZLXYSKBLUTQ-LJQANCHMSA-N 1 0 366.505 3.791 50 0 FHAARO O=C(c1ccc(-c2nccs2)cc1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000426640552 571104866 /nfs/dbraw/zinc/10/48/66/571104866.db2.gz UFRZHGCSEJTDNG-SFHVURJKSA-N 1 0 355.507 3.901 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccccc3F)cc2)CC1 ZINC000009366748 571106497 /nfs/dbraw/zinc/10/64/97/571106497.db2.gz HCRADJSQOPDTPP-UHFFFAOYSA-N 1 0 355.457 3.539 50 0 FHAARO OCCCCC[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000071766998 571107225 /nfs/dbraw/zinc/10/72/25/571107225.db2.gz GMOUVYVIBGKBME-UHFFFAOYSA-N 1 0 353.506 3.797 50 0 FHAARO COc1cc2c(cc1OC)[C@H](COc1cccc3cccnc31)[NH2+]CC2 ZINC000041127970 571108151 /nfs/dbraw/zinc/10/81/51/571108151.db2.gz KDZXNIBIDXOJDH-KRWDZBQOSA-N 1 0 350.418 3.518 50 0 FHAARO Cc1ccc(CN(C)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000241231189 571109709 /nfs/dbraw/zinc/10/97/09/571109709.db2.gz KSWOXMDWGYVVED-UHFFFAOYSA-N 1 0 372.538 3.505 50 0 FHAARO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)c(C)o2)c1 ZINC000244659698 571114133 /nfs/dbraw/zinc/11/41/33/571114133.db2.gz HHJZIIATGRBVSL-INIZCTEOSA-N 1 0 352.438 3.761 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)CC1 ZINC000009613737 571115225 /nfs/dbraw/zinc/11/52/25/571115225.db2.gz INQXQFDRJOWUGR-UHFFFAOYSA-N 1 0 365.811 3.622 50 0 FHAARO COc1ccccc1CNC(=O)CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000244741896 571115864 /nfs/dbraw/zinc/11/58/64/571115864.db2.gz NYPBJLKOHXNDQM-HXUWFJFHSA-N 1 0 352.478 3.581 50 0 FHAARO COc1ccc(OC)c(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2ccccn2)c1 ZINC000244748575 571115899 /nfs/dbraw/zinc/11/58/99/571115899.db2.gz OJXSKJDFORYLLC-LJQANCHMSA-N 1 0 369.465 3.655 50 0 FHAARO COc1cccc2c1OCCC[N@H+](CCC(=O)N[C@@H](C)c1ccccc1)C2 ZINC000244763988 571116192 /nfs/dbraw/zinc/11/61/92/571116192.db2.gz OZFNQZHHEWRZEA-KRWDZBQOSA-N 1 0 368.477 3.547 50 0 FHAARO O=C(N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000244794735 571116903 /nfs/dbraw/zinc/11/69/03/571116903.db2.gz QSNSPCWEMGWOEQ-HBMCJLEFSA-N 1 0 370.537 3.804 50 0 FHAARO Cc1ccc(CNC(=O)CC[N@@H+]2CCCC[C@H]2CCc2ccccn2)cc1 ZINC000244816923 571117804 /nfs/dbraw/zinc/11/78/04/571117804.db2.gz SRBSANNJISUUOK-QFIPXVFZSA-N 1 0 365.521 3.884 50 0 FHAARO O=C(NC[C@@H]1CCN(c2ccccc2F)C1)C1([NH+]2CCCC2)CCCCC1 ZINC000244840246 571117926 /nfs/dbraw/zinc/11/79/26/571117926.db2.gz UJRDUGIWAHIFPJ-SFHVURJKSA-N 1 0 373.516 3.567 50 0 FHAARO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(c3cccc(O)c3)CC2)cc1 ZINC000244899572 571119693 /nfs/dbraw/zinc/11/96/93/571119693.db2.gz ZMEAFDVPUXVPHF-KRWDZBQOSA-N 1 0 352.478 3.757 50 0 FHAARO C[NH+](C)CCN(Cc1ccsc1)Cc1cccc(Oc2ncccn2)c1 ZINC000055575849 571121280 /nfs/dbraw/zinc/12/12/80/571121280.db2.gz UTVSSTSEGBWPRP-UHFFFAOYSA-N 1 0 368.506 3.894 50 0 FHAARO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3cccs3)CC2)c1 ZINC000010055652 571122346 /nfs/dbraw/zinc/12/23/46/571122346.db2.gz JMUUDBFRJZZYLF-IBGZPJMESA-N 1 0 369.534 3.542 50 0 FHAARO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000010227376 571124151 /nfs/dbraw/zinc/12/41/51/571124151.db2.gz JWDGLKJAHHKIRI-MGPUTAFESA-N 1 0 356.441 3.849 50 0 FHAARO COc1ccc(CC(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)cc1 ZINC000010330379 571125175 /nfs/dbraw/zinc/12/51/75/571125175.db2.gz DXMXORQXAMKKEF-QFIPXVFZSA-N 1 0 362.473 3.810 50 0 FHAARO COC(=O)c1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010336411 571125192 /nfs/dbraw/zinc/12/51/92/571125192.db2.gz LSTNGXCWSSKMHB-UHFFFAOYSA-N 1 0 352.434 3.630 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)Cc1cccc2ccccc21)c1ccc(F)cc1 ZINC000010329684 571125286 /nfs/dbraw/zinc/12/52/86/571125286.db2.gz MYGNBGPWRZUJJY-OAQYLSRUSA-N 1 0 350.437 3.941 50 0 FHAARO CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1)C(C)C ZINC000247964267 571126715 /nfs/dbraw/zinc/12/67/15/571126715.db2.gz AUNRYUXFACSKMV-GOSISDBHSA-N 1 0 370.541 3.915 50 0 FHAARO CC(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010456663 571127050 /nfs/dbraw/zinc/12/70/50/571127050.db2.gz WJQRNZMIXASRLZ-UHFFFAOYSA-N 1 0 365.477 3.561 50 0 FHAARO CCCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000248121831 571127920 /nfs/dbraw/zinc/12/79/20/571127920.db2.gz NFPQMROPKGGTQV-QGZVFWFLSA-N 1 0 356.514 3.527 50 0 FHAARO Cc1ccccc1Cn1nc(C[NH2+]CCCCCO)c(-c2ccccc2)n1 ZINC000248177275 571128276 /nfs/dbraw/zinc/12/82/76/571128276.db2.gz ZOQLNOXXFWOORG-UHFFFAOYSA-N 1 0 364.493 3.554 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000058394121 571131939 /nfs/dbraw/zinc/13/19/39/571131939.db2.gz CZWFOQKDBUQDKN-UHFFFAOYSA-N 1 0 352.453 3.709 50 0 FHAARO O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000058414238 571132573 /nfs/dbraw/zinc/13/25/73/571132573.db2.gz PKYZLTBEXDNSFI-IBGZPJMESA-N 1 0 373.880 3.675 50 0 FHAARO O=C(CC[N@@H+]1CCCC[C@H]1CCn1cccn1)Nc1ccccc1Cl ZINC000252499110 571133377 /nfs/dbraw/zinc/13/33/77/571133377.db2.gz RVPBXYMPPKXQJB-INIZCTEOSA-N 1 0 360.889 3.810 50 0 FHAARO COc1cc(Br)c(C[NH2+][C@@H](C)Cc2ccco2)cc1OC ZINC000035254502 571138032 /nfs/dbraw/zinc/13/80/32/571138032.db2.gz DAUXPMSWOIGOCQ-NSHDSACASA-N 1 0 354.244 3.780 50 0 FHAARO Cn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000006166981 571139274 /nfs/dbraw/zinc/13/92/74/571139274.db2.gz UESRREVHURKTRX-UHFFFAOYSA-N 1 0 352.413 3.561 50 0 FHAARO COc1ccc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)cn1 ZINC000101590987 571143013 /nfs/dbraw/zinc/14/30/13/571143013.db2.gz GCTALOARWNUUPY-UHFFFAOYSA-N 1 0 362.477 3.919 50 0 FHAARO CC[C@@H](NC(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccccc1OC(F)F ZINC000052526924 571146251 /nfs/dbraw/zinc/14/62/51/571146251.db2.gz WAAUDJCZRCGXOQ-DZGCQCFKSA-N 1 0 355.429 3.523 50 0 FHAARO C[C@@H]1CC[N@H+](CCN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000075109082 571155882 /nfs/dbraw/zinc/15/58/82/571155882.db2.gz ZNHZFVOVQUKJKH-CXAGYDPISA-N 1 0 370.324 3.738 50 0 FHAARO COc1ccc(OC)c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000026312504 571160853 /nfs/dbraw/zinc/16/08/53/571160853.db2.gz BIMBJBACSPCQAK-OAQYLSRUSA-N 1 0 357.450 3.962 50 0 FHAARO CCO[C@H](C)C(=O)N(CC[NH+](CC)CC)c1cccc(Br)c1 ZINC000075358115 571162612 /nfs/dbraw/zinc/16/26/12/571162612.db2.gz QSQZLINQMKBSLZ-CQSZACIVSA-N 1 0 371.319 3.549 50 0 FHAARO NC(=O)COc1ccc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)cc1 ZINC000071755198 571165313 /nfs/dbraw/zinc/16/53/13/571165313.db2.gz QNSHEFIRIVVQTI-GOSISDBHSA-N 1 0 370.468 3.535 50 0 FHAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3ccc(OCc4ccccn4)cc3)C2)n1 ZINC000072120650 571170130 /nfs/dbraw/zinc/17/01/30/571170130.db2.gz RMLMGHLHMVPQHK-NRFANRHFSA-N 1 0 362.477 3.921 50 0 FHAARO Oc1ccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000072125665 571170325 /nfs/dbraw/zinc/17/03/25/571170325.db2.gz RTZDGFHNCBTXCI-YPAWHYETSA-N 1 0 352.453 3.594 50 0 FHAARO CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072129029 571170625 /nfs/dbraw/zinc/17/06/25/571170625.db2.gz XUYBCUHNZXYHIG-CYBMUJFWSA-N 1 0 368.868 3.565 50 0 FHAARO Clc1nc(N2CCCC2)sc1C[N@@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000072130949 571170974 /nfs/dbraw/zinc/17/09/74/571170974.db2.gz GYSYTPRKIQYNNH-CQSZACIVSA-N 1 0 365.934 3.505 50 0 FHAARO Cc1cc(C(=O)CCC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)s1 ZINC000055402240 571172194 /nfs/dbraw/zinc/17/21/94/571172194.db2.gz JKMTWKBQYOIJFP-UONOGXRCSA-N 1 0 350.528 3.564 50 0 FHAARO O=C(NCCc1cccc(C(F)(F)F)c1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072144225 571172327 /nfs/dbraw/zinc/17/23/27/571172327.db2.gz PDMPLQLHAKBSJF-HNNXBMFYSA-N 1 0 362.395 3.755 50 0 FHAARO c1c(C[N@H+]2CCCC[C@@H]2CCN2CCOCC2)onc1C1CCCCC1 ZINC000072147750 571173633 /nfs/dbraw/zinc/17/36/33/571173633.db2.gz REKKAECUARAAPH-LJQANCHMSA-N 1 0 361.530 3.799 50 0 FHAARO CN(C)C(=O)c1ccc(CN2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)o1 ZINC000072152605 571174805 /nfs/dbraw/zinc/17/48/05/571174805.db2.gz SOGWQIYAGXCNBK-HXUWFJFHSA-N 1 0 369.509 3.770 50 0 FHAARO CC(C)c1nccc(CN2CCC[N@H+](CCCc3ccccc3)CC2)n1 ZINC000072157889 571175404 /nfs/dbraw/zinc/17/54/04/571175404.db2.gz KSIOQJHSHQPRQB-UHFFFAOYSA-N 1 0 352.526 3.741 50 0 FHAARO CCO[C@H]1[C@H](NC(=O)c2ccccc2C)c2ccccc2C12CC[NH2+]CC2 ZINC000072161437 571175640 /nfs/dbraw/zinc/17/56/40/571175640.db2.gz CAHDEHFYICSMBT-RTWAWAEBSA-N 1 0 364.489 3.506 50 0 FHAARO Cc1cc(C(=O)N[C@H]2CC[C@H]2[NH2+]C2CCOCC2)sc1-c1ccccc1 ZINC000072162777 571175972 /nfs/dbraw/zinc/17/59/72/571175972.db2.gz PPINSJDDIBJVAL-MSOLQXFVSA-N 1 0 370.518 3.753 50 0 FHAARO CCN(C)C(=O)C[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072163236 571176012 /nfs/dbraw/zinc/17/60/12/571176012.db2.gz OQHXHHUDINQYBA-OAHLLOKOSA-N 1 0 356.432 3.828 50 0 FHAARO Cc1cccc([C@@H](CNc2nc(C(C)C)nc3c2cnn3C)[NH+](C)C)c1 ZINC000072166487 571176748 /nfs/dbraw/zinc/17/67/48/571176748.db2.gz QOFQTKZNOBJPDU-QGZVFWFLSA-N 1 0 352.486 3.510 50 0 FHAARO CN(C)c1ncc(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)s1 ZINC000072170549 571177306 /nfs/dbraw/zinc/17/73/06/571177306.db2.gz RMBDQUKKIGJAAQ-CQSZACIVSA-N 1 0 355.511 3.540 50 0 FHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000006335631 571181726 /nfs/dbraw/zinc/18/17/26/571181726.db2.gz ZYPVKPJVSFEPAY-HNNXBMFYSA-N 1 0 363.255 3.609 50 0 FHAARO CC(C)c1ccc(-n2nnnc2C2([NH+](C)C)C3CC4CC(C3)CC2C4)cc1 ZINC000035622715 571183749 /nfs/dbraw/zinc/18/37/49/571183749.db2.gz VOPQMQGYALCKBO-UHFFFAOYSA-N 1 0 365.525 3.999 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000012982231 571184425 /nfs/dbraw/zinc/18/44/25/571184425.db2.gz KWXHZNPBKPOBGQ-HZPDHXFCSA-N 1 0 352.482 3.666 50 0 FHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](CO)c2cc(F)c(F)c(F)c2)C1 ZINC000090812897 571189625 /nfs/dbraw/zinc/18/96/25/571189625.db2.gz MYGPGIAZWSVKRK-AZOIQLNYSA-N 1 0 364.411 3.562 50 0 FHAARO Fc1cccc(CN2CCC[N@H+](Cc3cnc(N4CCCC4)s3)CC2)c1 ZINC000072409170 571191399 /nfs/dbraw/zinc/19/13/99/571191399.db2.gz BRFCZONLUXTVDO-UHFFFAOYSA-N 1 0 374.529 3.590 50 0 FHAARO Clc1ccc(CNc2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)s1 ZINC000072411675 571191995 /nfs/dbraw/zinc/19/19/95/571191995.db2.gz RZXSSUOAOACILP-UHFFFAOYSA-N 1 0 371.897 3.554 50 0 FHAARO c1cc2nc(-c3ccncc3)cc(NCCCC[NH+]3CCCCCC3)n2n1 ZINC000072422636 571193530 /nfs/dbraw/zinc/19/35/30/571193530.db2.gz JOMDLBLTLMJVHJ-UHFFFAOYSA-N 1 0 364.497 3.859 50 0 FHAARO C[N@@H+]1CCC[C@@H]1CCNc1ccc(-c2nc(-c3ccccc3F)no2)cn1 ZINC000072426539 571194473 /nfs/dbraw/zinc/19/44/73/571194473.db2.gz ODOBMYVFFSMXMD-OAHLLOKOSA-N 1 0 367.428 3.834 50 0 FHAARO Cc1ncsc1CC[N@@H+](C)Cc1c(-c2ccccc2)nc2ncccn12 ZINC000072462618 571197835 /nfs/dbraw/zinc/19/78/35/571197835.db2.gz QKNRDJUTLUGUJJ-UHFFFAOYSA-N 1 0 363.490 3.836 50 0 FHAARO CCc1cc(N[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n2nccc2n1 ZINC000072458956 571197962 /nfs/dbraw/zinc/19/79/62/571197962.db2.gz XCCMMZVVCPUIMN-SFHVURJKSA-N 1 0 353.445 3.507 50 0 FHAARO CC(=O)c1cc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cs1 ZINC000072477555 571199252 /nfs/dbraw/zinc/19/92/52/571199252.db2.gz CVRYKUQZEQTHAG-UHFFFAOYSA-N 1 0 368.502 3.614 50 0 FHAARO CCCC[N@H+](CC)CCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000033269097 571204256 /nfs/dbraw/zinc/20/42/56/571204256.db2.gz QVTIATWHHIHJNC-UHFFFAOYSA-N 1 0 357.433 3.958 50 0 FHAARO CCN(CC)c1ccc2cc(C(=O)NCc3ccc(F)cc3)c(=[NH2+])oc2c1 ZINC000006517579 571206638 /nfs/dbraw/zinc/20/66/38/571206638.db2.gz UYDLEWMYCZRFFW-UHFFFAOYSA-N 1 0 367.424 3.828 50 0 FHAARO Nc1cc[nH+]c2ccc(-c3ccc(C(=O)NCC4CCOCC4)cc3)cc12 ZINC000534636253 571206857 /nfs/dbraw/zinc/20/68/57/571206857.db2.gz HSTJVRFKHPZXQU-UHFFFAOYSA-N 1 0 361.445 3.640 50 0 FHAARO Cc1ncsc1CN(Cc1ccccc1)C(=O)c1ccc(CC[NH3+])cc1 ZINC000534673754 571209008 /nfs/dbraw/zinc/20/90/08/571209008.db2.gz RHKIBSHFWDUJLD-UHFFFAOYSA-N 1 0 365.502 3.795 50 0 FHAARO CC(C)(C)c1cc(-c2nccn2[C@H]2CCC[N@H+](Cc3cccnc3)C2)n[nH]1 ZINC000077380386 571209666 /nfs/dbraw/zinc/20/96/66/571209666.db2.gz VDGWZIAKTSORCK-KRWDZBQOSA-N 1 0 364.497 3.803 50 0 FHAARO Fc1ccccc1-n1cc(C[NH+]2CCC(CCn3cccn3)CC2)cn1 ZINC000077419848 571210746 /nfs/dbraw/zinc/21/07/46/571210746.db2.gz DOXDLOFLHGUXLH-UHFFFAOYSA-N 1 0 353.445 3.510 50 0 FHAARO Cn1ccnc1CC[C@H]1CCCC[N@@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000077419709 571210751 /nfs/dbraw/zinc/21/07/51/571210751.db2.gz HNESFBNWKXGQHM-OAQYLSRUSA-N 1 0 363.509 3.652 50 0 FHAARO C[C@H](C(=O)N(C)Cc1cccc2cnccc21)[N@@H+]1CCc2ccccc2C1 ZINC000077458763 571212194 /nfs/dbraw/zinc/21/21/94/571212194.db2.gz YOALMHSVVZZWBF-QGZVFWFLSA-N 1 0 359.473 3.640 50 0 FHAARO CCCCN1C[C@@]2(CCC[N@H+](Cc3c(C)nn(CC)c3C)C2)CCC1=O ZINC000077456853 571212323 /nfs/dbraw/zinc/21/23/23/571212323.db2.gz CKCQUPPCJKRVCF-NRFANRHFSA-N 1 0 360.546 3.525 50 0 FHAARO COc1ccc(-c2nccn2C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1C ZINC000077470785 571212837 /nfs/dbraw/zinc/21/28/37/571212837.db2.gz ORHYJRRJLHJAFW-LJQANCHMSA-N 1 0 369.509 3.991 50 0 FHAARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2cc(C)c(C)cc2C)CC1 ZINC000077471228 571212898 /nfs/dbraw/zinc/21/28/98/571212898.db2.gz PSNYAUURAJYUTH-UHFFFAOYSA-N 1 0 369.557 3.664 50 0 FHAARO Cc1ccc(F)c(CN2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)c1Cl ZINC000077520356 571214661 /nfs/dbraw/zinc/21/46/61/571214661.db2.gz JAOHYMAKHBFVEQ-INIZCTEOSA-N 1 0 367.940 3.635 50 0 FHAARO CCCc1oncc1C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000077522965 571214574 /nfs/dbraw/zinc/21/45/74/571214574.db2.gz GMFFFSGRWFRIOS-UHFFFAOYSA-N 1 0 355.482 3.611 50 0 FHAARO CC(C)CCC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077540797 571215175 /nfs/dbraw/zinc/21/51/75/571215175.db2.gz VBFVYNLOMRLOBD-QFIPXVFZSA-N 1 0 357.542 3.765 50 0 FHAARO Cc1cccnc1CCNC(=O)N1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000426379674 571216952 /nfs/dbraw/zinc/21/69/52/571216952.db2.gz IZUAPMRARCDQNR-NRFANRHFSA-N 1 0 366.509 3.541 50 0 FHAARO CCCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000426381725 571217381 /nfs/dbraw/zinc/21/73/81/571217381.db2.gz QQOUMTHYVRKZAZ-PZJWPPBQSA-N 1 0 369.509 3.764 50 0 FHAARO O=C(COc1ccc(Cl)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127986 571217503 /nfs/dbraw/zinc/21/75/03/571217503.db2.gz KWJWMJSYPDQVAD-UHFFFAOYSA-N 1 0 372.896 3.747 50 0 FHAARO COc1ccc(NC(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000426382838 571217661 /nfs/dbraw/zinc/21/76/61/571217661.db2.gz ZGJJTEMHPMVXJH-KRWDZBQOSA-N 1 0 371.456 3.868 50 0 FHAARO C[N@H+](Cc1ccccc1NC(=O)NCCCc1ncc[nH]1)C1CCCCC1 ZINC000426438807 571225236 /nfs/dbraw/zinc/22/52/36/571225236.db2.gz HMCATPJVPFUZRT-UHFFFAOYSA-N 1 0 369.513 3.929 50 0 FHAARO Cc1cc(N2CCCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc[nH+]1 ZINC000082120346 571228567 /nfs/dbraw/zinc/22/85/67/571228567.db2.gz SKPHPRZPLJAKGB-UHFFFAOYSA-N 1 0 363.383 3.761 50 0 FHAARO C[NH+]1CCN(c2cc(-c3nc(-c4ccccc4)no3)c3ccccc3n2)CC1 ZINC000033282518 571230301 /nfs/dbraw/zinc/23/03/01/571230301.db2.gz QVAGYHYNEJYQCH-UHFFFAOYSA-N 1 0 371.444 3.704 50 0 FHAARO CCNC(=O)NCC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000426530682 571230355 /nfs/dbraw/zinc/23/03/55/571230355.db2.gz AZJKYXBYBGPIQG-UHFFFAOYSA-N 1 0 351.494 3.540 50 0 FHAARO Cc1nc(C)c(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2)s1 ZINC000426534435 571230732 /nfs/dbraw/zinc/23/07/32/571230732.db2.gz JCWQCVDEARUNLA-ZWKOTPCHSA-N 1 0 355.507 3.736 50 0 FHAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3cccc(-n4nc(C)cc4C)c3)[C@H]2C1 ZINC000426549932 571231444 /nfs/dbraw/zinc/23/14/44/571231444.db2.gz MIGGXIWGOJIDLJ-BHIFYINESA-N 1 0 369.509 3.648 50 0 FHAARO CC[N@H+](C)C[C@H](C)CNC(=O)c1ccc(-c2ccc3[nH]cnc3c2)cc1 ZINC000426604566 571233051 /nfs/dbraw/zinc/23/30/51/571233051.db2.gz QINPQBSQRYRNBQ-OAHLLOKOSA-N 1 0 350.466 3.548 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cc(F)ccc3F)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426615347 571233295 /nfs/dbraw/zinc/23/32/95/571233295.db2.gz BFXWETQRCFSCDW-YZGWKJHDSA-N 1 0 351.437 3.903 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cn4cccc(C)c4n3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426618052 571233312 /nfs/dbraw/zinc/23/33/12/571233312.db2.gz BUWQLBGXTBIOJW-JAXLGGSGSA-N 1 0 369.509 3.581 50 0 FHAARO CCOc1ccc(NC(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1-n1cccc1 ZINC000426612532 571233326 /nfs/dbraw/zinc/23/33/26/571233326.db2.gz FYPYYIAWQBDJKX-MSOLQXFVSA-N 1 0 368.481 3.576 50 0 FHAARO O=C(NCCC[N@H+]1CCC[C@H](O)C1)c1ccc(-c2ccccc2Cl)cc1 ZINC000426678210 571234798 /nfs/dbraw/zinc/23/47/98/571234798.db2.gz WGYYAADUAIOMSX-SFHVURJKSA-N 1 0 372.896 3.584 50 0 FHAARO COc1cccc(C[N@@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)c1 ZINC000426683921 571234961 /nfs/dbraw/zinc/23/49/61/571234961.db2.gz QMYBGKLEZQOXRI-JAXLGGSGSA-N 1 0 368.477 3.681 50 0 FHAARO O=C(Cn1c(-c2ccccc2)cn2c3ccccc3nc21)NCc1ccco1 ZINC000033330858 571235403 /nfs/dbraw/zinc/23/54/03/571235403.db2.gz XUYFSFQEGOFADD-UHFFFAOYSA-N 1 0 370.412 3.865 50 0 FHAARO O=C(c1ccc(-c2ccc3ocnc3c2)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000426697605 571235573 /nfs/dbraw/zinc/23/55/73/571235573.db2.gz WVANPKWCISMKLR-IBGZPJMESA-N 1 0 361.445 3.805 50 0 FHAARO CC(C)c1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000158178866 571236603 /nfs/dbraw/zinc/23/66/03/571236603.db2.gz BFTGHGPKNRVJGT-LPHOPBHVSA-N 1 0 355.482 3.781 50 0 FHAARO O=C(c1ccc(-c2cc(Cl)ccc2O)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000426746083 571236911 /nfs/dbraw/zinc/23/69/11/571236911.db2.gz LBZNMQKKLNXONN-KRWDZBQOSA-N 1 0 356.853 3.633 50 0 FHAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1[C@@H]3CCc4ccccc4C3=NN12 ZINC000004812629 571237920 /nfs/dbraw/zinc/23/79/20/571237920.db2.gz COBOEWUKKRMQNZ-KNQAVFIVSA-N 1 0 359.473 3.824 50 0 FHAARO O=C(c1ccncc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc3occc3c2)C1 ZINC000091547360 571240602 /nfs/dbraw/zinc/24/06/02/571240602.db2.gz ZXMVBAKPTGQLTG-YLJYHZDGSA-N 1 0 361.445 3.564 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000091624667 571241239 /nfs/dbraw/zinc/24/12/39/571241239.db2.gz VQBRRUOLYVYYAI-IBGZPJMESA-N 1 0 351.494 3.747 50 0 FHAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C)cc2C)C2CC2)cc1 ZINC000036098964 571241400 /nfs/dbraw/zinc/24/14/00/571241400.db2.gz OCLIQBGMQHKJIJ-HXUWFJFHSA-N 1 0 355.478 3.716 50 0 FHAARO COc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036102799 571241811 /nfs/dbraw/zinc/24/18/11/571241811.db2.gz MEAYWFXQNUWTAZ-HXUWFJFHSA-N 1 0 357.494 3.873 50 0 FHAARO CC(C)(C)c1ncc2c(n1)CC(C)(C)C[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000091695053 571242507 /nfs/dbraw/zinc/24/25/07/571242507.db2.gz OSGSKBTVPWLRLQ-KRWDZBQOSA-N 1 0 372.557 3.778 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1cccn1C ZINC000036341910 571248403 /nfs/dbraw/zinc/24/84/03/571248403.db2.gz UPUHMZVBWJOGKZ-NRFANRHFSA-N 1 0 366.509 3.661 50 0 FHAARO CC(C)c1ccc(NC(=O)[C@@H](C)N(C)C[C@@H]2COc3ccccc3O2)cc1 ZINC000007267161 571263556 /nfs/dbraw/zinc/26/35/56/571263556.db2.gz UNLXENVQPRVAJI-VQIMIIECSA-N 1 0 368.477 3.909 50 0 FHAARO CC(C)c1ccc(NC(=O)[C@H](C)N(C)C[C@@H]2COc3ccccc3O2)cc1 ZINC000007267162 571263569 /nfs/dbraw/zinc/26/35/69/571263569.db2.gz UNLXENVQPRVAJI-QFBILLFUSA-N 1 0 368.477 3.909 50 0 FHAARO C[C@H](NC(=O)CN(C)Cc1ccc(Br)cc1)c1cccs1 ZINC000007443564 571265706 /nfs/dbraw/zinc/26/57/06/571265706.db2.gz ITNSNKCYIFUVNK-LBPRGKRZSA-N 1 0 367.312 3.820 50 0 FHAARO CC(C)Oc1cccc(CC(=O)NCC2(C)C[NH+](Cc3ccccc3)C2)c1 ZINC000170600607 571266876 /nfs/dbraw/zinc/26/68/76/571266876.db2.gz ONMPBFJYCUJNFC-UHFFFAOYSA-N 1 0 366.505 3.655 50 0 FHAARO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cnoc1-c1ccc(Cl)cc1 ZINC000089793797 571273314 /nfs/dbraw/zinc/27/33/14/571273314.db2.gz DKGCGXBFFBGLHR-QGZVFWFLSA-N 1 0 373.884 3.989 50 0 FHAARO CC[C@H](C)[NH2+]CCOCCOc1ccc(Br)cc1Cl ZINC000002822451 571275820 /nfs/dbraw/zinc/27/58/20/571275820.db2.gz ULZDVZIPOGMKHQ-NSHDSACASA-N 1 0 350.684 3.886 50 0 FHAARO Cc1ccc(C(=O)N2CCCCC2)c(C2CC[NH+](Cc3ccco3)CC2)n1 ZINC000037554731 571287912 /nfs/dbraw/zinc/28/79/12/571287912.db2.gz PKMRPYYFMRWFCL-UHFFFAOYSA-N 1 0 367.493 3.989 50 0 FHAARO COCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037560065 571288002 /nfs/dbraw/zinc/28/80/02/571288002.db2.gz JHSGAEUQDSGBFB-UHFFFAOYSA-N 1 0 370.468 3.778 50 0 FHAARO C[n+]1cccc([C@@H]2CCCCN2C(=O)c2ccccc2Br)c1 ZINC000002236388 571293264 /nfs/dbraw/zinc/29/32/64/571293264.db2.gz ZMEOGPZLSGGXII-KRWDZBQOSA-N 1 0 360.275 3.641 50 0 biogenic FHAARO CC(C)[C@@H](NC(=O)N1CCC([NH+]2CCSCC2)CC1)c1ccccc1 ZINC000584890571 571314482 /nfs/dbraw/zinc/31/44/82/571314482.db2.gz WJSXJEGYKXWIEV-LJQANCHMSA-N 1 0 361.555 3.607 50 0 FHAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3nc(C4CC4)no3)c(C)c2)CC1 ZINC000055151715 571320934 /nfs/dbraw/zinc/32/09/34/571320934.db2.gz JDFGFZVGOURRFR-HNNXBMFYSA-N 1 0 355.486 3.570 50 0 FHAARO CCCC[N@H+](CC)Cc1cccc(CNC(=O)CCCn2ccnc2)c1 ZINC000079076346 571326886 /nfs/dbraw/zinc/32/68/86/571326886.db2.gz VVSCQHULTRPGRU-UHFFFAOYSA-N 1 0 356.514 3.602 50 0 FHAARO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@H](CO)CC[C@@H]1C ZINC000093738015 571327179 /nfs/dbraw/zinc/32/71/79/571327179.db2.gz SMNCJFKVMSDQAT-KBXCAEBGSA-N 1 0 361.917 3.794 50 0 FHAARO Cc1nn(C)c(Cl)c1CNC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000095369283 571328992 /nfs/dbraw/zinc/32/89/92/571328992.db2.gz OFAMFCMWOKIABS-LJQANCHMSA-N 1 0 360.933 3.945 50 0 FHAARO COc1cc(C[NH2+][C@H]2CCCCC[C@H]2CO)ccc1OCC(F)(F)F ZINC000095410527 571329364 /nfs/dbraw/zinc/32/93/64/571329364.db2.gz HAACALIOSSHJNM-GJZGRUSLSA-N 1 0 361.404 3.667 50 0 FHAARO CCc1ccc(OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000095408974 571329377 /nfs/dbraw/zinc/32/93/77/571329377.db2.gz WZLFMAPFGQJNFV-NQIIRXRSSA-N 1 0 366.505 3.797 50 0 FHAARO O=C(c1ccoc1)N1CCC([NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000095419294 571329475 /nfs/dbraw/zinc/32/94/75/571329475.db2.gz JXIUCWWYELNAGZ-OAQYLSRUSA-N 1 0 361.445 3.658 50 0 FHAARO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2csc(-c3cccs3)n2)C1 ZINC000095448277 571329825 /nfs/dbraw/zinc/32/98/25/571329825.db2.gz ZOOFMLGSIDJCFD-LSDHHAIUSA-N 1 0 369.515 3.699 50 0 FHAARO CC[N@H+](CCC1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1)CC1CC1 ZINC000095457401 571330129 /nfs/dbraw/zinc/33/01/29/571330129.db2.gz GGWLSLBBDLOVJQ-UHFFFAOYSA-N 1 0 373.497 3.781 50 0 FHAARO CC(C)(C)[C@H](CCO)[NH2+]Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000095466600 571330481 /nfs/dbraw/zinc/33/04/81/571330481.db2.gz JSOZPBJEFZLLCZ-ZDUSSCGKSA-N 1 0 357.376 3.642 50 0 FHAARO O=C1C2=C(CCCC2)[C@H]([NH2+][C@H]2CCCc3ccccc32)N1C[C@@H]1CCCO1 ZINC000095483075 571331114 /nfs/dbraw/zinc/33/11/14/571331114.db2.gz PTPLPMIEMQNNNC-BULFRSBZSA-N 1 0 366.505 3.872 50 0 FHAARO Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000095956574 571332917 /nfs/dbraw/zinc/33/29/17/571332917.db2.gz PGWPGHBSEXZLGG-SCLBCKFNSA-N 1 0 374.916 3.737 50 0 FHAARO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000095956571 571332940 /nfs/dbraw/zinc/33/29/40/571332940.db2.gz PGWPGHBSEXZLGG-ACJLOTCBSA-N 1 0 374.916 3.737 50 0 FHAARO CC[C@H](C)[NH+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)[C@@H](C)CC ZINC000095996019 571333583 /nfs/dbraw/zinc/33/35/83/571333583.db2.gz KMCKFRVZEATJEA-JYJNAYRXSA-N 1 0 350.503 3.780 50 0 FHAARO COc1ccc(CN2CCc3nc(Nc4ccc(F)cc4)ncc3C2)cc1 ZINC000021639711 571335313 /nfs/dbraw/zinc/33/53/13/571335313.db2.gz HSELETCOFRGYIO-UHFFFAOYSA-N 1 0 364.424 3.926 50 0 FHAARO Clc1ccccc1Cn1c(CSC2=[NH+]CCN2)nc2ccccc21 ZINC000002459666 571336988 /nfs/dbraw/zinc/33/69/88/571336988.db2.gz YXOFALZWHMUTJL-UHFFFAOYSA-N 1 0 356.882 3.930 50 0 FHAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc2ccccc21 ZINC000225569187 571337170 /nfs/dbraw/zinc/33/71/70/571337170.db2.gz JIWXJCMODJLBMH-GOSISDBHSA-N 1 0 354.519 3.787 50 0 FHAARO O=C(CCSc1ccccc1)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225569881 571337214 /nfs/dbraw/zinc/33/72/14/571337214.db2.gz YUPMFXIKMZFOLK-KRWDZBQOSA-N 1 0 364.580 3.503 50 0 FHAARO CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000027975812 571337251 /nfs/dbraw/zinc/33/72/51/571337251.db2.gz PIKWYNLOONJVDO-IBGZPJMESA-N 1 0 358.526 3.758 50 0 FHAARO COCc1c2ccccc2oc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000029836269 571343442 /nfs/dbraw/zinc/34/34/42/571343442.db2.gz BBDJABXUMBDJBS-SFHVURJKSA-N 1 0 370.424 3.751 50 0 FHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1onc2c1CCCC2 ZINC000670435723 571346848 /nfs/dbraw/zinc/34/68/48/571346848.db2.gz HKYIZDORFDEYTA-FQEVSTJZSA-N 1 0 367.493 3.901 50 0 FHAARO COc1cccc(CN(CC(C)C)C(=O)NC[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000670441183 571348864 /nfs/dbraw/zinc/34/88/64/571348864.db2.gz ILEUAZJPRSKSIO-IBGZPJMESA-N 1 0 361.530 3.736 50 0 FHAARO C[NH+]1CCC(C(=O)NCCCc2ccccc2F)(c2ccccc2)CC1 ZINC000670442350 571349527 /nfs/dbraw/zinc/34/95/27/571349527.db2.gz FUTUGHQHXBHSGI-UHFFFAOYSA-N 1 0 354.469 3.538 50 0 FHAARO O=C1C[C@@H]([NH2+]C23CC4CC(CC(C4)C2)C3)C(=O)N1c1cccc(Cl)c1 ZINC000004310028 571357801 /nfs/dbraw/zinc/35/78/01/571357801.db2.gz HUADOTDIDMFKCD-ANCGMVAHSA-N 1 0 358.869 3.530 50 0 FHAARO CC(C)[C@@H](CNC(=O)c1ccc(NCc2ccncc2)cc1)[NH+]1CCCC1 ZINC000670466142 571358658 /nfs/dbraw/zinc/35/86/58/571358658.db2.gz YDKHQVJEGDPDSA-OAQYLSRUSA-N 1 0 366.509 3.544 50 0 FHAARO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)C2CC2)cc1 ZINC000230113611 932883332 /nfs/dbraw/zinc/88/33/32/932883332.db2.gz UPERYMFWBACBCB-SAWYMBPVSA-N 1 0 356.510 3.917 50 0 FHAARO OCC1CC[NH+]([C@@H]2CCCN(Cc3ccccc3-c3ccco3)C2)CC1 ZINC000022851375 934975981 /nfs/dbraw/zinc/97/59/81/934975981.db2.gz PTSLYLVRPJDWAC-HXUWFJFHSA-N 1 0 354.494 3.615 50 0 FHAARO CC[C@H](C)n1ncc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000252478644 938832956 /nfs/dbraw/zinc/83/29/56/938832956.db2.gz AQZAQLUVUCNPMB-INIZCTEOSA-N 1 0 354.498 3.557 50 0 FHAARO CCSc1ncc(CN(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cn1 ZINC000023375139 940296954 /nfs/dbraw/zinc/29/69/54/940296954.db2.gz XMEARJVAAGECHE-HXUWFJFHSA-N 1 0 370.566 3.728 50 0 FHAARO CC[NH+](CC)[C@@H]1CCOC2(CCN(C(=O)c3sccc3C)CC2)C1 ZINC000581784076 940594949 /nfs/dbraw/zinc/59/49/49/940594949.db2.gz BPHIINYBZHQSOT-MRXNPFEDSA-N 1 0 350.528 3.552 50 0 FHAARO Fc1ccccc1CN1CC([N@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC000581794556 940603464 /nfs/dbraw/zinc/60/34/64/940603464.db2.gz GFDLNMGIQATLMX-UHFFFAOYSA-N 1 0 354.469 3.691 50 0 FHAARO Cc1cnc(-c2cccnc2)n1C[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000581808017 940616548 /nfs/dbraw/zinc/61/65/48/940616548.db2.gz VIEHFJUCZKMUNM-INIZCTEOSA-N 1 0 366.490 3.867 50 0 FHAARO Cn1cccc1CN1CCC([N@@H+]2C[C@@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257186807 942602405 /nfs/dbraw/zinc/60/24/05/942602405.db2.gz ZUYSGAFDDZOBOJ-JOCHJYFZSA-N 1 0 371.569 3.803 50 0 FHAARO CC(C)CC[N@@H+]1CCOc2ccc(C(=O)NCc3ccccc3)cc2C1 ZINC000675010312 943604155 /nfs/dbraw/zinc/60/41/55/943604155.db2.gz OIOYKVSIMWFTOB-UHFFFAOYSA-N 1 0 352.478 3.857 50 0 FHAARO Cc1ncsc1C[NH+]1CCC2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000675017542 943618454 /nfs/dbraw/zinc/61/84/54/943618454.db2.gz VMGUTIGNPCVAMY-UHFFFAOYSA-N 1 0 373.497 3.748 50 0 FHAARO Cc1ccc(C[NH+]2CCC(CCc3noc(C4CCOCC4)n3)CC2)o1 ZINC000675024229 943652643 /nfs/dbraw/zinc/65/26/43/943652643.db2.gz GTEIUDKOARRWQT-UHFFFAOYSA-N 1 0 359.470 3.710 50 0 FHAARO Cc1cnccc1OC1CCN(C(=O)c2cccc3c2OCC3(C)C)CC1 ZINC000329872406 944303777 /nfs/dbraw/zinc/30/37/77/944303777.db2.gz BJSLXIPVCLMWTO-UHFFFAOYSA-N 1 0 366.461 3.744 50 0 FHAARO C[N@H+](CCCNC(=O)c1ccc(-c2cccc(CO)c2)cc1)C1CCCC1 ZINC000426506835 945015582 /nfs/dbraw/zinc/01/55/82/945015582.db2.gz QEGHOCORRJYCNP-UHFFFAOYSA-N 1 0 366.505 3.840 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccccc2OC(C)C)CC1 ZINC000045463385 946050827 /nfs/dbraw/zinc/05/08/27/946050827.db2.gz JOSMNKMXACTVSX-QGZVFWFLSA-N 1 0 361.530 3.954 50 0 FHAARO CN(CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)C1CC[NH2+]CC1 ZINC000430591122 946743695 /nfs/dbraw/zinc/74/36/95/946743695.db2.gz JTMNGBATQSVPOB-UHFFFAOYSA-N 1 0 373.884 3.755 50 0 FHAARO Cc1csc2nc(C)nc(N3CC[C@H](CNc4cccc(C)[nH+]4)C3)c12 ZINC000133279268 948114304 /nfs/dbraw/zinc/11/43/04/948114304.db2.gz IIXBBHLHKRVXPK-OAHLLOKOSA-N 1 0 353.495 3.950 50 0 FHAARO Cn1c2ccccc2nc1-c1cccc(NC(=O)C[C@@H]2CC[NH2+]C[C@@H]2F)c1 ZINC000888102009 948459310 /nfs/dbraw/zinc/45/93/10/948459310.db2.gz SWAHNLBPBNTMLL-YOEHRIQHSA-N 1 0 366.440 3.517 50 0 FHAARO C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000299779626 529830625 /nfs/dbraw/zinc/83/06/25/529830625.db2.gz NTRKNWCXUJUHEE-FQEVSTJZSA-N 1 0 368.908 3.935 50 0 FHAARO COCCc1noc([C@H]2CCC[N@H+](Cc3cccc(-c4ccco4)c3)C2)n1 ZINC000215374204 222646149 /nfs/dbraw/zinc/64/61/49/222646149.db2.gz VBRAAZLFIOIRGR-SFHVURJKSA-N 1 0 367.449 3.898 50 0 FHAARO CN(CC[NH+]1CCCCCC1)C(=O)c1cccc(-c2ccncc2F)c1 ZINC000299766537 529908742 /nfs/dbraw/zinc/90/87/42/529908742.db2.gz OXCGXJGSWSVYQV-UHFFFAOYSA-N 1 0 355.457 3.836 50 0 FHAARO O[C@]1(c2ccc(F)cc2)CN2CCCCCSC2=[N+]1c1ccccc1 ZINC000000637288 219307450 /nfs/dbraw/zinc/30/74/50/219307450.db2.gz RUTQIPAONJMGSU-FQEVSTJZSA-N 1 0 357.474 3.777 50 0 FHAARO O[C@@]1(c2ccc(F)cc2)CN2CCCCCSC2=[N+]1c1ccccc1 ZINC000000637286 219307748 /nfs/dbraw/zinc/30/77/48/219307748.db2.gz RUTQIPAONJMGSU-HXUWFJFHSA-N 1 0 357.474 3.777 50 0 FHAARO CCOc1ccc([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OCC ZINC000000718332 219316284 /nfs/dbraw/zinc/31/62/84/219316284.db2.gz MFMMJAAVIGZLIL-OAQYLSRUSA-N 1 0 357.450 3.736 50 0 biogenic FHAARO CC1(C)C[C@@](c2ccccc2)([C@H](CO)C[NH2+]Cc2ccccc2)CCO1 ZINC000000755049 219319259 /nfs/dbraw/zinc/31/92/59/219319259.db2.gz VYAMDNWUSLNDGW-GMAHTHKFSA-N 1 0 353.506 3.912 50 0 FHAARO COc1ccc(CCN(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OC ZINC000000762990 219319672 /nfs/dbraw/zinc/31/96/72/219319672.db2.gz IIOPKPVPLOWXRK-UHFFFAOYSA-N 1 0 370.493 3.742 50 0 FHAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000000795472 219322259 /nfs/dbraw/zinc/32/22/59/219322259.db2.gz QFLHAWXNJBCGSD-UHFFFAOYSA-N 1 0 372.896 3.877 50 0 FHAARO Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000000828585 219327975 /nfs/dbraw/zinc/32/79/75/219327975.db2.gz AUCNBBXCSKXRCT-HXUWFJFHSA-N 1 0 358.507 3.501 50 0 FHAARO Cc1cc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(C)c1Cl ZINC000000869551 219334380 /nfs/dbraw/zinc/33/43/80/219334380.db2.gz KNKLBNJGVXEKLW-UHFFFAOYSA-N 1 0 352.906 3.761 50 0 FHAARO O=c1c2ccccc2nc(SCC[NH+]2CCCCC2)n1-c1ccccc1 ZINC000001254912 219392720 /nfs/dbraw/zinc/39/27/20/219392720.db2.gz KRVMHGJOOQVEHU-UHFFFAOYSA-N 1 0 365.502 3.964 50 0 FHAARO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1C(F)(F)F ZINC000225570252 222851694 /nfs/dbraw/zinc/85/16/94/222851694.db2.gz FIENIABSPJIJJQ-AWEZNQCLSA-N 1 0 372.456 3.653 50 0 FHAARO CC[NH+](CC)C[C@@H](C)[C@@H](C)OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001841028 219420086 /nfs/dbraw/zinc/42/00/86/219420086.db2.gz FYKBYTUHWXJHBK-RTBURBONSA-N 1 0 369.505 3.832 50 0 FHAARO CCCc1nc2oc3c(ncnc3NCCC[NH+](C)C)c2c2c1CCCC2 ZINC000002230001 219433365 /nfs/dbraw/zinc/43/33/65/219433365.db2.gz FJSUZCLTFNBECS-UHFFFAOYSA-N 1 0 367.497 3.966 50 0 FHAARO Cc1ccc(-n2ncc(C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)c2C(C)C)cc1 ZINC000236866014 222904447 /nfs/dbraw/zinc/90/44/47/222904447.db2.gz XVGDFLVYMFHDGI-IAGOWNOFSA-N 1 0 354.498 3.504 50 0 FHAARO O=C(c1ccccc1F)N1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000237800694 222910924 /nfs/dbraw/zinc/91/09/24/222910924.db2.gz ATDHOVWZWZHMHI-UHFFFAOYSA-N 1 0 351.425 3.701 50 0 FHAARO Cc1ccc(OCCNc2cc([C@H]3C[C@H]([NH3+])C3)nc(C3CC3)n2)cc1C ZINC000244724610 222933269 /nfs/dbraw/zinc/93/32/69/222933269.db2.gz MXELMMDCQRHQDP-QAQDUYKDSA-N 1 0 352.482 3.666 50 0 FHAARO CCSc1nc2c3c(sc2c(NCCCC[NH3+])n1)CC(C)(C)OC3 ZINC000006757617 219767499 /nfs/dbraw/zinc/76/74/99/219767499.db2.gz KGJWAWAPTSMKAW-UHFFFAOYSA-N 1 0 366.556 3.805 50 0 FHAARO O=C(Nc1ccc2[nH]ccc2c1)NC1CC[NH+](C2CCSCC2)CC1 ZINC000299761553 223084920 /nfs/dbraw/zinc/08/49/20/223084920.db2.gz KCRKPMLLWILIIQ-UHFFFAOYSA-N 1 0 358.511 3.649 50 0 FHAARO Cc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c(C)n1C ZINC000299767318 223087399 /nfs/dbraw/zinc/08/73/99/223087399.db2.gz JTZJCGNNANPDHC-LJQANCHMSA-N 1 0 359.901 3.862 50 0 FHAARO Cc1ccccc1-c1nc2ccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]43)cc2o1 ZINC000299773072 223090515 /nfs/dbraw/zinc/09/05/15/223090515.db2.gz CNPRILDOLXOHOK-KBXCAEBGSA-N 1 0 362.433 3.629 50 0 FHAARO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCc2ccc(CO)cc2)c1 ZINC000299781559 223094482 /nfs/dbraw/zinc/09/44/82/223094482.db2.gz DUESVAWCQXKESQ-KRWDZBQOSA-N 1 0 367.493 3.875 50 0 FHAARO CCn1cncc1CNC(=O)Nc1cccc(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000299787201 223095918 /nfs/dbraw/zinc/09/59/18/223095918.db2.gz SBYNOWAYUGEQLD-INIZCTEOSA-N 1 0 355.486 3.599 50 0 FHAARO COCCC[NH2+][C@H]1CCOc2ccc(-c3cccc(NC(C)=O)c3)cc21 ZINC000299803830 223105887 /nfs/dbraw/zinc/10/58/87/223105887.db2.gz GAYPDEWZZRVQBN-FQEVSTJZSA-N 1 0 354.450 3.762 50 0 FHAARO Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000334161241 223131706 /nfs/dbraw/zinc/13/17/06/223131706.db2.gz XAZGECPBGQZRLB-GJZGRUSLSA-N 1 0 352.478 3.963 50 0 FHAARO OCCOCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000010435636 219902238 /nfs/dbraw/zinc/90/22/38/219902238.db2.gz WMTGLZNRSPZHKF-UHFFFAOYSA-N 1 0 369.436 3.656 50 0 FHAARO CC1(C)CC(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)CC(C)(C)[NH2+]1 ZINC000011422783 219918887 /nfs/dbraw/zinc/91/88/87/219918887.db2.gz OOTRJCUQBACOBS-UHFFFAOYSA-N 1 0 358.511 3.574 50 0 FHAARO Cc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)cc1 ZINC000011787997 219931975 /nfs/dbraw/zinc/93/19/75/219931975.db2.gz UPUDMUMRKRNAJG-IBGZPJMESA-N 1 0 368.477 3.532 50 0 FHAARO O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1Cc1cc(F)ccc1F ZINC000011872736 219938554 /nfs/dbraw/zinc/93/85/54/219938554.db2.gz CMAFDXRONKCVKN-GOSISDBHSA-N 1 0 362.395 3.775 50 0 FHAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1cccnc1 ZINC000012439824 219995666 /nfs/dbraw/zinc/99/56/66/219995666.db2.gz KBNOUTNFRJDXKL-UHFFFAOYSA-N 1 0 365.521 3.807 50 0 FHAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]12CC[N@@H+](Cc1cccc(O)c1)C2 ZINC000012597649 220012522 /nfs/dbraw/zinc/01/25/22/220012522.db2.gz QJUXEKGZIYLRFG-QFIPXVFZSA-N 1 0 368.452 3.546 50 0 FHAARO COc1cccc(OC)c1C(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012597750 220012725 /nfs/dbraw/zinc/01/27/25/220012725.db2.gz YSTJXVOSKQRGJP-MRXNPFEDSA-N 1 0 360.498 3.621 50 0 FHAARO Cc1ccccc1[C@@H]1C[C@H]2CN(CCc3ccccc3)C(=O)[C@]23CCC[N@H+]13 ZINC000012717814 220021468 /nfs/dbraw/zinc/02/14/68/220021468.db2.gz SMUUKDWUSHWBCF-SSPYTLHUSA-N 1 0 360.501 3.976 50 0 FHAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(O)ccc23)cc1 ZINC000012736617 220022267 /nfs/dbraw/zinc/02/22/67/220022267.db2.gz XUMNURLVGZHRMV-LJQANCHMSA-N 1 0 351.402 3.844 50 0 FHAARO CC(=O)Nc1cccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)c1 ZINC000012751903 220024886 /nfs/dbraw/zinc/02/48/86/220024886.db2.gz KBAMZWORRQVGMO-LJQANCHMSA-N 1 0 357.498 3.562 50 0 FHAARO Cc1ccc(S(=O)(=O)N[C@H](CC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000012812342 220032848 /nfs/dbraw/zinc/03/28/48/220032848.db2.gz JGMIWXDEIQYHBA-OAQYLSRUSA-N 1 0 372.534 3.891 50 0 FHAARO COc1ccc2cc(C[N@H+](C)CCC(=O)Nc3cc(C)on3)ccc2c1 ZINC000012852698 220036040 /nfs/dbraw/zinc/03/60/40/220036040.db2.gz YXHJVZGOTHIIBT-UHFFFAOYSA-N 1 0 353.422 3.605 50 0 FHAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000012870765 220037781 /nfs/dbraw/zinc/03/77/81/220037781.db2.gz BRCHGFGGXKGMBQ-IBGZPJMESA-N 1 0 358.869 3.802 50 0 FHAARO O=S(=O)(NCCC[NH+]1CCCCCC1)c1cc(Cl)ccc1Cl ZINC000012927019 220044393 /nfs/dbraw/zinc/04/43/93/220044393.db2.gz OAMTYAJTZNLGPN-UHFFFAOYSA-N 1 0 365.326 3.538 50 0 FHAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000013363859 220066125 /nfs/dbraw/zinc/06/61/25/220066125.db2.gz MMCRBVBPXODMEY-UHFFFAOYSA-N 1 0 371.456 3.868 50 0 FHAARO CC[NH+](CC)CCNc1nc2sc3c(c2c2nc(C)nn21)C[C@H](C)CC3 ZINC000013724937 220091061 /nfs/dbraw/zinc/09/10/61/220091061.db2.gz SDAJRYICAWFICR-GFCCVEGCSA-N 1 0 372.542 3.526 50 0 FHAARO COc1ccc(-c2csc(NCCC[NH+](C)C)n2)cc1Br ZINC000014113435 220108038 /nfs/dbraw/zinc/10/80/38/220108038.db2.gz IVENLZUASASDLP-UHFFFAOYSA-N 1 0 370.316 3.945 50 0 FHAARO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)n1C1CC1 ZINC000014126028 220108419 /nfs/dbraw/zinc/10/84/19/220108419.db2.gz OTVJGLVDAPTFPN-UHFFFAOYSA-N 1 0 351.494 3.966 50 0 FHAARO Cc1cc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000014233557 220118345 /nfs/dbraw/zinc/11/83/45/220118345.db2.gz KXTPGTQZHUMOHD-UHFFFAOYSA-N 1 0 372.534 3.686 50 0 FHAARO C[NH+](C)Cc1ccc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000014169211 220112716 /nfs/dbraw/zinc/11/27/16/220112716.db2.gz LHHFSWQBNGPSKN-UHFFFAOYSA-N 1 0 374.488 3.741 50 0 FHAARO Oc1ccc(C2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000014180140 220113809 /nfs/dbraw/zinc/11/38/09/220113809.db2.gz ZVJWMEVJRCJXDK-LJQANCHMSA-N 1 0 361.869 3.665 50 0 FHAARO CCOCCC[NH2+][C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000014961822 220136850 /nfs/dbraw/zinc/13/68/50/220136850.db2.gz UZHSMTBQUFTKCP-GOSISDBHSA-N 1 0 356.514 3.622 50 0 FHAARO CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](CC(C)C)C1 ZINC000014749510 220131587 /nfs/dbraw/zinc/13/15/87/220131587.db2.gz XRFATLXGDVZJTG-ZWKOTPCHSA-N 1 0 364.505 3.715 50 0 FHAARO CCc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)C(C)C)O3)CC2)cc1 ZINC000014879802 220133834 /nfs/dbraw/zinc/13/38/34/220133834.db2.gz XOWRPKGKVUTIEX-FQEVSTJZSA-N 1 0 358.526 3.535 50 0 FHAARO Cc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2c(F)cccc2F)c1 ZINC000014879547 220134402 /nfs/dbraw/zinc/13/44/02/220134402.db2.gz HOJVJOXRWCYYBY-KRWDZBQOSA-N 1 0 358.432 3.944 50 0 FHAARO COc1ccc2[nH]c(C(=O)N[C@H]3CCC[N@H+](CC4CCCCC4)C3)cc2c1 ZINC000014974112 220138494 /nfs/dbraw/zinc/13/84/94/220138494.db2.gz SPOLQOVZKCQDRJ-SFHVURJKSA-N 1 0 369.509 3.951 50 0 FHAARO CCC[NH+]1CCC(N[C@H]2CCCc3nc(-c4ccccc4)ncc32)CC1 ZINC000015066473 220144555 /nfs/dbraw/zinc/14/45/55/220144555.db2.gz ZUCNBGXXGJSMES-FQEVSTJZSA-N 1 0 350.510 3.985 50 0 FHAARO Fc1cccc(-c2cnnc(NCC3([NH+]4CCCCC4)CCCC3)n2)c1 ZINC000015067112 220144720 /nfs/dbraw/zinc/14/47/20/220144720.db2.gz SZFAZFMPVHHIPQ-UHFFFAOYSA-N 1 0 355.461 3.888 50 0 FHAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]12CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000015073178 220145782 /nfs/dbraw/zinc/14/57/82/220145782.db2.gz XVJIILSDUUAJJA-JOCHJYFZSA-N 1 0 370.443 3.980 50 0 FHAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1 ZINC000015069640 220145936 /nfs/dbraw/zinc/14/59/36/220145936.db2.gz PIYNCDDDNNHQLV-QFIPXVFZSA-N 1 0 369.484 3.717 50 0 FHAARO CC(C)[N@H+](CCCNC(=O)Cc1noc2ccccc12)Cc1ccccc1 ZINC000015675055 220159775 /nfs/dbraw/zinc/15/97/75/220159775.db2.gz HZNCELFQMOXAAR-UHFFFAOYSA-N 1 0 365.477 3.787 50 0 FHAARO CCc1ccc(-c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)[nH]n2)cc1 ZINC000015679300 220160360 /nfs/dbraw/zinc/16/03/60/220160360.db2.gz OVROLWBNZPMKET-UHFFFAOYSA-N 1 0 366.509 3.730 50 0 FHAARO CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccc(C(C)C)cc1 ZINC000015746134 220163765 /nfs/dbraw/zinc/16/37/65/220163765.db2.gz OSCPBGZNDGQEDP-IBGZPJMESA-N 1 0 367.513 3.982 50 0 FHAARO Cc1ccc2nc3sc(C(=O)NCCC[NH+]4CCCC4)cc3cc2c1 ZINC000015784555 220165555 /nfs/dbraw/zinc/16/55/55/220165555.db2.gz JEGLITNKUUFGNN-UHFFFAOYSA-N 1 0 353.491 3.974 50 0 FHAARO Cn1cc(CC[NH2+]Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)cn1 ZINC000015961817 220173827 /nfs/dbraw/zinc/17/38/27/220173827.db2.gz OIRSXCBXXUDETB-UHFFFAOYSA-N 1 0 357.461 3.810 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCC(C)CC2)o1 ZINC000015860301 220169087 /nfs/dbraw/zinc/16/90/87/220169087.db2.gz GXMQJEDPOWIDSD-FQEVSTJZSA-N 1 0 370.493 3.865 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1c(-c2cccs2)cc2ccccc21 ZINC000015860940 220169196 /nfs/dbraw/zinc/16/91/96/220169196.db2.gz VCCMQXCASKNSBG-KRWDZBQOSA-N 1 0 367.518 3.970 50 0 FHAARO OC[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)C1 ZINC000016046979 220175876 /nfs/dbraw/zinc/17/58/76/220175876.db2.gz WYMNJKCOXKTMRK-QVKFZJNVSA-N 1 0 357.425 3.638 50 0 FHAARO CCc1sc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1Br ZINC000016606096 220187748 /nfs/dbraw/zinc/18/77/48/220187748.db2.gz BLDSZIOMGAAZOL-UHFFFAOYSA-N 1 0 359.333 3.676 50 0 FHAARO O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)c1ccc(OC(F)F)cc1 ZINC000016976058 220200135 /nfs/dbraw/zinc/20/01/35/220200135.db2.gz IZJNHZYBWYOGQV-UHFFFAOYSA-N 1 0 369.391 3.873 50 0 FHAARO CC[NH+](CC)CCCNc1ncnc2c1cnn2-c1cc(Cl)ccc1C ZINC000017287552 220212325 /nfs/dbraw/zinc/21/23/25/220212325.db2.gz FQYLPJCRLGBYGR-UHFFFAOYSA-N 1 0 372.904 3.921 50 0 FHAARO OCC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C1CCCC1 ZINC000019635351 220281661 /nfs/dbraw/zinc/28/16/61/220281661.db2.gz YKLCNOPUUGWBDM-SFHVURJKSA-N 1 0 356.432 3.517 50 0 FHAARO COc1ccc(Br)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000019789084 220297331 /nfs/dbraw/zinc/29/73/31/220297331.db2.gz KZKNCUZVERHSPT-UHFFFAOYSA-N 1 0 353.304 3.518 50 0 FHAARO Fc1ccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019842506 220302356 /nfs/dbraw/zinc/30/23/56/220302356.db2.gz OLHAVAYZARZNLD-UHFFFAOYSA-N 1 0 367.512 3.608 50 0 FHAARO COc1cc(C[NH2+]CCc2ccccc2F)cc(Br)c1OC ZINC000020228215 220319971 /nfs/dbraw/zinc/31/99/71/220319971.db2.gz JGELUAYCYITWOW-UHFFFAOYSA-N 1 0 368.246 3.938 50 0 FHAARO COc1ccc(CCN(C)[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1OC ZINC000020321374 220322098 /nfs/dbraw/zinc/32/20/98/220322098.db2.gz FDJBDFLUUCRJCO-HXUWFJFHSA-N 1 0 360.542 3.975 50 0 FHAARO Cn1cc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(-c2ccccc2F)n1 ZINC000020481152 220329759 /nfs/dbraw/zinc/32/97/59/220329759.db2.gz VSQBBKPNQCOXEI-OAQYLSRUSA-N 1 0 364.468 3.715 50 0 FHAARO Cc1ccc2[nH]c(C[N@@H+](C)C[C@]3(c4ccc(F)cc4)CCOC3)nc2c1 ZINC000020865291 220342707 /nfs/dbraw/zinc/34/27/07/220342707.db2.gz INQLKLBSWAVADH-OAQYLSRUSA-N 1 0 353.441 3.801 50 0 FHAARO CC1CCN(c2nnc(-n3cccc3C[NH+]3CCCCCC3)s2)CC1 ZINC000020942751 220346265 /nfs/dbraw/zinc/34/62/65/220346265.db2.gz TWNMDPMQSPAALO-UHFFFAOYSA-N 1 0 359.543 3.941 50 0 FHAARO O=C(NCc1cccs1)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000021663482 220362609 /nfs/dbraw/zinc/36/26/09/220362609.db2.gz LPNXSXNNCYBCKL-UHFFFAOYSA-N 1 0 361.536 3.651 50 0 FHAARO C[C@H]1CCCC[N@@H+]1CCNc1ncnc2onc(-c3cc(F)cc(F)c3)c21 ZINC000021714774 220364886 /nfs/dbraw/zinc/36/48/86/220364886.db2.gz CPVLTIWGPOPIJS-LBPRGKRZSA-N 1 0 373.407 3.849 50 0 FHAARO Cc1ccc(-c2noc3ncnc(NCC[N@H+]4CCCC[C@@H]4C)c32)cc1 ZINC000021715101 220365310 /nfs/dbraw/zinc/36/53/10/220365310.db2.gz OVABHWYLSOYDJZ-HNNXBMFYSA-N 1 0 351.454 3.880 50 0 FHAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1C(F)(F)F ZINC000021783259 220366485 /nfs/dbraw/zinc/36/64/85/220366485.db2.gz OERVISYAQWQUCS-UHFFFAOYSA-N 1 0 363.383 3.885 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000021911914 220371519 /nfs/dbraw/zinc/37/15/19/220371519.db2.gz CCSXLIZZCOTWLH-IBGZPJMESA-N 1 0 358.869 3.916 50 0 FHAARO C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)s1 ZINC000022474535 220386631 /nfs/dbraw/zinc/38/66/31/220386631.db2.gz IWUAYFWQLHNUSU-UHFFFAOYSA-N 1 0 362.882 3.910 50 0 FHAARO CCc1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3S2)[NH+](C)C)cc1 ZINC000022684703 220394370 /nfs/dbraw/zinc/39/43/70/220394370.db2.gz VKIVSIXNVWEPDR-UYAOXDASSA-N 1 0 354.519 3.685 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2cc(C)c(C)s2)[NH+]2CCCC2)cc1 ZINC000023486426 220428063 /nfs/dbraw/zinc/42/80/63/220428063.db2.gz WIENXRSJEBGZPV-SFHVURJKSA-N 1 0 358.507 3.940 50 0 FHAARO Cc1nc(-c2cccnc2)sc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000031868014 220647978 /nfs/dbraw/zinc/64/79/78/220647978.db2.gz OVZLEVZPJVUSNA-UHFFFAOYSA-N 1 0 358.511 3.553 50 0 FHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1(c2ccc(F)cc2)CC1 ZINC000032758992 220676194 /nfs/dbraw/zinc/67/61/94/220676194.db2.gz BJIKJPPJXKVKKV-HXUWFJFHSA-N 1 0 352.453 3.811 50 0 FHAARO COc1ccc(-c2ccccc2NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000299787869 533182117 /nfs/dbraw/zinc/18/21/17/533182117.db2.gz SHZGLSQVFHTONX-JOCHJYFZSA-N 1 0 365.477 3.970 50 0 FHAARO COc1ccc(-c2ccccc2NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000299787871 533183497 /nfs/dbraw/zinc/18/34/97/533183497.db2.gz SHZGLSQVFHTONX-QFIPXVFZSA-N 1 0 365.477 3.970 50 0 FHAARO CCN(C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000048290180 221006002 /nfs/dbraw/zinc/00/60/02/221006002.db2.gz OIBWKIKSAVZINA-HXUWFJFHSA-N 1 0 370.468 3.894 50 0 FHAARO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccc(OC(C)C)cc3)cn2)n1 ZINC000048743697 221014403 /nfs/dbraw/zinc/01/44/03/221014403.db2.gz PKXJWSNLHIYONW-UHFFFAOYSA-N 1 0 350.466 3.961 50 0 FHAARO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(F)cc3F)cc2)C[C@@H](C)O1 ZINC000048275207 221003779 /nfs/dbraw/zinc/00/37/79/221003779.db2.gz AOWCKKIEGUIEPC-HUUCEWRRSA-N 1 0 374.431 3.504 50 0 FHAARO COc1ccccc1NC(=O)C1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000052641794 221038777 /nfs/dbraw/zinc/03/87/77/221038777.db2.gz ZPSNMRGEGSYDPO-FXAWDEMLSA-N 1 0 374.525 3.941 50 0 FHAARO COc1cccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)[NH+](C)C)c1 ZINC000052839160 221040102 /nfs/dbraw/zinc/04/01/02/221040102.db2.gz YOPFTNDXYJRWJX-SFHVURJKSA-N 1 0 370.424 3.922 50 0 FHAARO COCC[N@H+](Cc1cccs1)Cc1cc(Cn2cncn2)c(C)cc1C ZINC000055054010 221057840 /nfs/dbraw/zinc/05/78/40/221057840.db2.gz AGFJYTKPBWDJBB-UHFFFAOYSA-N 1 0 370.522 3.653 50 0 FHAARO Cc1nnc(SCCC[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)s1 ZINC000055154627 221060220 /nfs/dbraw/zinc/06/02/20/221060220.db2.gz DEXKMIMTEDNGGG-UHFFFAOYSA-N 1 0 363.487 3.648 50 0 FHAARO C[C@H](CO)C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1 ZINC000055183150 221060611 /nfs/dbraw/zinc/06/06/11/221060611.db2.gz CFQYBARWCKLQSH-INIZCTEOSA-N 1 0 353.441 3.846 50 0 FHAARO O=C(Nc1cccc(C[NH2+]Cc2ccc(F)c(F)c2)c1)c1ccncc1 ZINC000055171812 221060898 /nfs/dbraw/zinc/06/08/98/221060898.db2.gz WNJVMUQMBBFBAL-UHFFFAOYSA-N 1 0 353.372 3.902 50 0 FHAARO CC(C)CCn1c2ccccc2nc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000055270177 221065022 /nfs/dbraw/zinc/06/50/22/221065022.db2.gz WKJMIMNJRAEGBR-QFIPXVFZSA-N 1 0 368.525 3.527 50 0 FHAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000055283120 221065685 /nfs/dbraw/zinc/06/56/85/221065685.db2.gz UXRMYPZKFVQCKV-CQSZACIVSA-N 1 0 370.540 3.533 50 0 FHAARO Clc1ccccc1Cn1cc(C[NH2+]C[C@@H]2COc3ccccc3C2)cn1 ZINC000053601477 221047299 /nfs/dbraw/zinc/04/72/99/221047299.db2.gz DGYFQKSTCFLJCN-MRXNPFEDSA-N 1 0 367.880 3.926 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000053945734 221049868 /nfs/dbraw/zinc/04/98/68/221049868.db2.gz JAOYFHWQZULXAP-SFHVURJKSA-N 1 0 354.429 3.736 50 0 FHAARO COc1cccc([C@@H](CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)[NH+](C)C)c1 ZINC000054920957 221056667 /nfs/dbraw/zinc/05/66/67/221056667.db2.gz DTFYVCJYJONCRC-FOIQADDNSA-N 1 0 373.472 3.840 50 0 FHAARO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000056172213 221078542 /nfs/dbraw/zinc/07/85/42/221078542.db2.gz KTBCDSDRBRUTJK-CVEARBPZSA-N 1 0 365.477 3.866 50 0 FHAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000058172250 221102524 /nfs/dbraw/zinc/10/25/24/221102524.db2.gz PCABTEFWHNCQAL-QGZVFWFLSA-N 1 0 355.482 3.511 50 0 FHAARO Cc1cc(C)n(C[C@H](C)C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)n1 ZINC000058171312 221102722 /nfs/dbraw/zinc/10/27/22/221102722.db2.gz AFHMNUOCYFHADK-CYBMUJFWSA-N 1 0 363.889 3.741 50 0 FHAARO COc1ccc([C@@H](CNC(=[NH2+])Nc2ccccc2)N2CCCCC2)cc1 ZINC000057752114 221092637 /nfs/dbraw/zinc/09/26/37/221092637.db2.gz FAFFUVADPHRESY-HXUWFJFHSA-N 1 0 352.482 3.859 50 0 FHAARO CC(C)[C@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1F)c1ccc(F)cc1 ZINC000057830401 221093925 /nfs/dbraw/zinc/09/39/25/221093925.db2.gz VUTSHHNHGZWZPQ-SFHVURJKSA-N 1 0 361.392 3.600 50 0 FHAARO CC[C@@H](CNC(=O)[C@H](C)OCc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000058014219 221097315 /nfs/dbraw/zinc/09/73/15/221097315.db2.gz XNWJYNCWVLCDBN-AVRDEDQJSA-N 1 0 366.505 3.545 50 0 FHAARO CN(C)[C@H](CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccco1 ZINC000058075319 221098675 /nfs/dbraw/zinc/09/86/75/221098675.db2.gz CWOSCRWXCZCUHS-OAHLLOKOSA-N 1 0 354.410 3.723 50 0 FHAARO C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC000058229889 221110788 /nfs/dbraw/zinc/11/07/88/221110788.db2.gz HBRJXDZJNUMUQS-MRXNPFEDSA-N 1 0 374.444 3.503 50 0 FHAARO CC1CC[NH+]([C@H](CNC(=O)c2cnn(C)c2C2CC2)c2cccs2)CC1 ZINC000058293210 221113152 /nfs/dbraw/zinc/11/31/52/221113152.db2.gz YSSUKQODWMCUEW-QGZVFWFLSA-N 1 0 372.538 3.562 50 0 FHAARO CC(C)c1nn(C)c(Cl)c1CNC1CC[NH+](CC2CCCC2)CC1 ZINC000063319713 221142542 /nfs/dbraw/zinc/14/25/42/221142542.db2.gz ISLSZIORCAKQSS-UHFFFAOYSA-N 1 0 352.954 3.941 50 0 FHAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2cn(C)c3ccc(Cl)cc23)CC1 ZINC000064669744 221149852 /nfs/dbraw/zinc/14/98/52/221149852.db2.gz SANHZFCELHLQRL-AWEZNQCLSA-N 1 0 361.917 3.958 50 0 FHAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1cc2ccc(C)cc2[nH]c1=O ZINC000065245607 221185701 /nfs/dbraw/zinc/18/57/01/221185701.db2.gz SBYRKSTZOXBVAX-LJQANCHMSA-N 1 0 369.509 3.562 50 0 FHAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2ccc3c(C)cc(=O)oc3c2)C[C@H]1O ZINC000065372128 221204592 /nfs/dbraw/zinc/20/45/92/221204592.db2.gz KZVAITFFQDVOLB-QZTJIDSGSA-N 1 0 369.486 3.822 50 0 FHAARO CC(C)c1ccc(NC(=O)CC[NH+]2CCC(O)(c3ccccn3)CC2)cc1 ZINC000065381836 221207648 /nfs/dbraw/zinc/20/76/48/221207648.db2.gz MOIUYUQMBIHGMP-UHFFFAOYSA-N 1 0 367.493 3.517 50 0 FHAARO CC[NH+](CC)CCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000065383526 221207730 /nfs/dbraw/zinc/20/77/30/221207730.db2.gz HCOWZKZYFPHBMX-UHFFFAOYSA-N 1 0 353.466 3.918 50 0 FHAARO CC[C@H](Cn1cnc(-c2ccccc2)c1-c1ccncc1)[NH+]1CCOCC1 ZINC000065387693 221209835 /nfs/dbraw/zinc/20/98/35/221209835.db2.gz UTIZTNUFNLCAOA-HXUWFJFHSA-N 1 0 362.477 3.723 50 0 FHAARO CNC(=O)c1cccc(C[NH2+]Cc2cnc(-c3ccccc3C)s2)c1 ZINC000065420833 221217317 /nfs/dbraw/zinc/21/73/17/221217317.db2.gz LCGONIQHPCRFSC-UHFFFAOYSA-N 1 0 351.475 3.768 50 0 FHAARO COc1ccccc1OCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000065431836 221218831 /nfs/dbraw/zinc/21/88/31/221218831.db2.gz SWPHKODHYBAHGO-UHFFFAOYSA-N 1 0 361.869 3.711 50 0 FHAARO COc1ncccc1C[N@@H+]1CC[C@@H](c2ccnc(-c3cccc(O)c3)c2)C1 ZINC000065397296 221211239 /nfs/dbraw/zinc/21/12/39/221211239.db2.gz BBAUQYUOXPNPPE-GOSISDBHSA-N 1 0 361.445 3.847 50 0 FHAARO Cc1ccc(Cl)c(NC(=O)c2cccc(C[N@@H+]3CCC[C@H](O)C3)c2)c1 ZINC000065527969 221231195 /nfs/dbraw/zinc/23/11/95/221231195.db2.gz XTFPOKGXUROIHZ-KRWDZBQOSA-N 1 0 358.869 3.857 50 0 FHAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]Cc1cccn1-c1cccnc1 ZINC000067603880 221262234 /nfs/dbraw/zinc/26/22/34/221262234.db2.gz WCZBDXQTGSBZAQ-MRXNPFEDSA-N 1 0 370.460 3.884 50 0 FHAARO C[C@H](C[N@@H+]1CCc2onc(-c3cccc4ccccc43)c2C1)n1cncn1 ZINC000067726918 221278172 /nfs/dbraw/zinc/27/81/72/221278172.db2.gz SVRGOOOSSFQPPN-OAHLLOKOSA-N 1 0 359.433 3.706 50 0 FHAARO Cc1nc(C2CC[NH2+]CC2)cc(N(C)Cc2cc(-c3ccccc3)on2)n1 ZINC000067677131 221271304 /nfs/dbraw/zinc/27/13/04/221271304.db2.gz ORFOYCRQALZORC-UHFFFAOYSA-N 1 0 363.465 3.543 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000067805270 221288908 /nfs/dbraw/zinc/28/89/08/221288908.db2.gz MDTCXYZLDBOZAD-IBGZPJMESA-N 1 0 374.868 3.743 50 0 FHAARO COc1ccc(-c2nc(C[NH+]3CCC(OC)CC3)c(C)o2)c(OC)c1C ZINC000067756789 221281652 /nfs/dbraw/zinc/28/16/52/221281652.db2.gz GZPKKGVQVFFWLT-UHFFFAOYSA-N 1 0 360.454 3.586 50 0 FHAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3c(-c4ccccc4)nc4ncccn34)C2)n1 ZINC000067771799 221282698 /nfs/dbraw/zinc/28/26/98/221282698.db2.gz POQKUBZWLBFZCI-IBGZPJMESA-N 1 0 372.476 3.657 50 0 FHAARO Cc1ccc(NC(=O)C[NH2+]CCc2nc3c(ccc(C)c3C)[nH]2)c(C)c1 ZINC000067770652 221282762 /nfs/dbraw/zinc/28/27/62/221282762.db2.gz ZZFFGWWXOWGOPP-UHFFFAOYSA-N 1 0 350.466 3.567 50 0 FHAARO Cc1cc(C(F)(F)F)nc(CC[NH2+]Cc2nc3c(ccc(C)c3C)[nH]2)n1 ZINC000067847513 221293571 /nfs/dbraw/zinc/29/35/71/221293571.db2.gz CYPIUIVKKHXTTL-UHFFFAOYSA-N 1 0 363.387 3.629 50 0 FHAARO [NH3+]CCc1cc(N2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1 ZINC000067867792 221296512 /nfs/dbraw/zinc/29/65/12/221296512.db2.gz NOJHATFDNRVSPQ-UHFFFAOYSA-N 1 0 358.489 3.564 50 0 FHAARO CC[C@@H]1CN(C(=O)c2csc3nc(-c4ccc(Cl)cc4)cn23)CC[NH2+]1 ZINC000067855680 221296553 /nfs/dbraw/zinc/29/65/53/221296553.db2.gz BVDHSGDSVYLZLA-CQSZACIVSA-N 1 0 374.897 3.540 50 0 FHAARO CC[N@@H+](Cc1cnc2c(-c3ccccc3)cnn2c1)CC1CCOCC1 ZINC000067872755 221297834 /nfs/dbraw/zinc/29/78/34/221297834.db2.gz BWOVGVONXRHAMX-UHFFFAOYSA-N 1 0 350.466 3.645 50 0 FHAARO O[C@H](CC[N@@H+]1CCc2onc(-c3cccc(F)c3)c2C1)c1ccccc1 ZINC000067869243 221298831 /nfs/dbraw/zinc/29/88/31/221298831.db2.gz DIWIKKLBAFFBLI-LJQANCHMSA-N 1 0 352.409 3.963 50 0 FHAARO c1coc(-c2cc(CNc3nc(-c4ccccc4)nc4c3CC[NH2+]C4)no2)c1 ZINC000067947859 221308022 /nfs/dbraw/zinc/30/80/22/221308022.db2.gz SLFLBIQBWUVXLI-UHFFFAOYSA-N 1 0 373.416 3.649 50 0 FHAARO O=C(N[C@@H]1CCCc2c1cnn2-c1cc[nH+]cc1)[C@H]1C[C@H]1c1ccccc1 ZINC000071195725 221336407 /nfs/dbraw/zinc/33/64/07/221336407.db2.gz FCTJTNUMHNLONK-CMKODMSKSA-N 1 0 358.445 3.565 50 0 FHAARO Cc1ccc(F)cc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071388539 221345368 /nfs/dbraw/zinc/34/53/68/221345368.db2.gz JAKFZACUCVGEFG-YPAWHYETSA-N 1 0 364.464 3.837 50 0 FHAARO NC(=O)COc1cccc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)c1 ZINC000071738522 221357493 /nfs/dbraw/zinc/35/74/93/221357493.db2.gz WTPLQLLNFMZXSR-SFHVURJKSA-N 1 0 370.468 3.535 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2nccc3ccccc32)CCC[N@@H+]1CC1CC1 ZINC000071759646 221366609 /nfs/dbraw/zinc/36/66/09/221366609.db2.gz NPZYHIZGSINSCA-FQEVSTJZSA-N 1 0 351.494 3.817 50 0 FHAARO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(Br)c1 ZINC000071769338 221374023 /nfs/dbraw/zinc/37/40/23/221374023.db2.gz GSRVTVHBVZTHNU-HNNXBMFYSA-N 1 0 351.288 3.586 50 0 FHAARO COc1cccc(O[C@@H]2CC[N@H+](CCCC(=O)c3ccc(F)cc3)C2)c1 ZINC000071769303 221374251 /nfs/dbraw/zinc/37/42/51/221374251.db2.gz BOYHRGVIIMUTCP-HXUWFJFHSA-N 1 0 357.425 3.951 50 0 FHAARO COc1ccc(C[N@H+](C)Cc2cccc3ncccc23)cc1Cn1cncn1 ZINC000072127432 221412704 /nfs/dbraw/zinc/41/27/04/221412704.db2.gz SCXAOPRWOQASFM-UHFFFAOYSA-N 1 0 373.460 3.515 50 0 FHAARO Cc1nc([C@@]2(O)CCC[NH2+]CC2)sc1CCOc1ccccc1Cl ZINC000072343626 221473617 /nfs/dbraw/zinc/47/36/17/221473617.db2.gz MTNGFLBZWDVPFH-GOSISDBHSA-N 1 0 366.914 3.688 50 0 FHAARO CSc1nccc(N2CCC([NH2+]Cc3cc4cc(F)ccc4[nH]3)CC2)n1 ZINC000095356128 132207091 /nfs/dbraw/zinc/20/70/91/132207091.db2.gz FKUYMMIJVUSWLY-UHFFFAOYSA-N 1 0 371.485 3.578 50 0 FHAARO Cc1ccccc1C[NH+]1CCN(c2nc3c(C)cccc3cc2CO)CC1 ZINC000095357698 132207458 /nfs/dbraw/zinc/20/74/58/132207458.db2.gz AWWCGSMJWIRZRW-UHFFFAOYSA-N 1 0 361.489 3.666 50 0 FHAARO CCCO[C@@H]1CCC[N@@H+](C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC000095388951 132210409 /nfs/dbraw/zinc/21/04/09/132210409.db2.gz WZPBSEHXXPINGQ-QGZVFWFLSA-N 1 0 371.447 3.960 50 0 FHAARO CC(C)(C)NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000096006245 132217019 /nfs/dbraw/zinc/21/70/19/132217019.db2.gz SMOVRWIYYZHJCW-UHFFFAOYSA-N 1 0 351.494 3.537 50 0 FHAARO Cc1ncccc1C[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000237590396 132248210 /nfs/dbraw/zinc/24/82/10/132248210.db2.gz XHCDVTVUFYACSO-UHFFFAOYSA-N 1 0 350.388 3.562 50 0 FHAARO Fc1ccc(N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000000757706 132378350 /nfs/dbraw/zinc/37/83/50/132378350.db2.gz WDNFAICCVIDWKS-UHFFFAOYSA-N 1 0 353.485 3.612 50 0 FHAARO CC[NH+]1CCN(c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)CC1 ZINC000001240136 132381264 /nfs/dbraw/zinc/38/12/64/132381264.db2.gz KNUOIGANIYNLEY-UHFFFAOYSA-N 1 0 370.806 3.958 50 0 FHAARO Cc1cc(N2CCN(c3ccccc3)CC2)nc(NCc2ccccc2)[nH+]1 ZINC000001296403 132381503 /nfs/dbraw/zinc/38/15/03/132381503.db2.gz OXCNWIWIWGWZEM-UHFFFAOYSA-N 1 0 359.477 3.724 50 0 FHAARO CCCc1cc(N2CC[NH+](CC)CC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002242372 132382780 /nfs/dbraw/zinc/38/27/80/132382780.db2.gz NWQJOTNLUYCCFS-UHFFFAOYSA-N 1 0 363.509 3.799 50 0 FHAARO COc1ccccc1N1CC[NH+](CCCCOc2ccc(F)cc2)CC1 ZINC000002275119 132383023 /nfs/dbraw/zinc/38/30/23/132383023.db2.gz LBTYJJUTDNCITA-UHFFFAOYSA-N 1 0 358.457 3.816 50 0 FHAARO COc1ccc2[nH]c3c(ncnc3N3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000002287593 132383038 /nfs/dbraw/zinc/38/30/38/132383038.db2.gz CMYQURBIWTYYEG-UHFFFAOYSA-N 1 0 365.481 3.574 50 0 FHAARO Cc1cc(C)cc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1 ZINC000003553046 132385411 /nfs/dbraw/zinc/38/54/11/132385411.db2.gz MWMZQUQHZWDMSK-UHFFFAOYSA-N 1 0 357.885 3.961 50 0 FHAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC1CCCCC1 ZINC000041654848 136121016 /nfs/dbraw/zinc/12/10/16/136121016.db2.gz PHGPSZDLJUMHDY-IBGZPJMESA-N 1 0 357.542 3.674 50 0 FHAARO O[C@H](C[NH+]1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000051086266 136124028 /nfs/dbraw/zinc/12/40/28/136124028.db2.gz UMGDPPKONSCUAP-GOSISDBHSA-N 1 0 350.384 3.561 50 0 FHAARO O=C(NCc1cccc2ccccc21)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928941 136138516 /nfs/dbraw/zinc/13/85/16/136138516.db2.gz CWERVYWVWGETAI-UHFFFAOYSA-N 1 0 374.488 3.951 50 0 FHAARO O=C(Cc1cccc2ccccc21)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928599 136138538 /nfs/dbraw/zinc/13/85/38/136138538.db2.gz OQVRBKVKNSYJKV-UHFFFAOYSA-N 1 0 359.473 3.810 50 0 FHAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)c1cccc2ccnn21 ZINC000072476789 221551085 /nfs/dbraw/zinc/55/10/85/221551085.db2.gz VCSGQKCLDCDWNK-UHFFFAOYSA-N 1 0 354.498 3.595 50 0 FHAARO CCCn1cc(-c2ccncc2)cc1C(=O)NCC[NH+]1CCCCCC1 ZINC000075509126 221583443 /nfs/dbraw/zinc/58/34/43/221583443.db2.gz HXOFVKFTSXEQPX-UHFFFAOYSA-N 1 0 354.498 3.566 50 0 FHAARO O=C1Nc2ccccc2NC12CC[NH+](CCCCOc1ccccc1)CC2 ZINC000082116324 221703703 /nfs/dbraw/zinc/70/37/03/221703703.db2.gz NJMIRXSRARBPIY-UHFFFAOYSA-N 1 0 365.477 3.744 50 0 FHAARO CCN1CC2(CC[NH+](Cc3ccccn3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091849391 221805652 /nfs/dbraw/zinc/80/56/52/221805652.db2.gz VHXZEYYRRQTYKB-OAQYLSRUSA-N 1 0 363.505 3.700 50 0 FHAARO OCc1ccc(C[C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000091966138 221819605 /nfs/dbraw/zinc/81/96/05/221819605.db2.gz YDDZBARJRLBLRK-GOSISDBHSA-N 1 0 365.452 3.773 50 0 FHAARO Cc1cc(C(=O)N2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)c2cccc(Cl)c2n1 ZINC000095353602 221854545 /nfs/dbraw/zinc/85/45/45/221854545.db2.gz BCYKSLZEDBKPKV-FUHWJXTLSA-N 1 0 359.901 3.855 50 0 FHAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)N[C@@H]1COc2ccccc2C1 ZINC000095498247 221925502 /nfs/dbraw/zinc/92/55/02/221925502.db2.gz GWQZWNMSZQKZPV-IBGZPJMESA-N 1 0 365.477 3.798 50 0 FHAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNc2nccc(-c3ccncc3)n2)C1 ZINC000096132812 222038543 /nfs/dbraw/zinc/03/85/43/222038543.db2.gz OOBHDYMJXWJCNK-LJQANCHMSA-N 1 0 359.477 3.748 50 0 FHAARO Cc1cc(C(=O)N2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)ccc1O ZINC000096150253 222052273 /nfs/dbraw/zinc/05/22/73/222052273.db2.gz VAWFNXXHARZGNZ-FQEVSTJZSA-N 1 0 364.489 3.795 50 0 FHAARO Cc1nc(CC2CC[NH+](Cc3ccccc3)CC2)n(CC(F)(F)F)n1 ZINC000096160340 222059573 /nfs/dbraw/zinc/05/95/73/222059573.db2.gz NAGPWVOFJYEHQL-UHFFFAOYSA-N 1 0 352.404 3.604 50 0 FHAARO C[NH+](C)C[C@@H](NC(=O)/C=C\c1ccc(Br)cc1)c1ccccc1 ZINC000096920595 222140512 /nfs/dbraw/zinc/14/05/12/222140512.db2.gz COEWOJDQUVUTPO-ADYSOMBNSA-N 1 0 373.294 3.881 50 0 FHAARO C/C=C\c1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc(OC)c1OC ZINC000096926276 222141153 /nfs/dbraw/zinc/14/11/53/222141153.db2.gz UUNACNZBLQCZET-SMTIMMHKSA-N 1 0 368.477 3.770 50 0 FHAARO C[C@H](CSc1ccccc1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000097001802 222149601 /nfs/dbraw/zinc/14/96/01/222149601.db2.gz HAOCCCLFVQBSKZ-QGZVFWFLSA-N 1 0 372.534 3.672 50 0 FHAARO C[C@H](c1ccc(C(=O)NCc2ccc3nsnc3c2)o1)[NH+]1CCCCC1 ZINC000097447089 222181317 /nfs/dbraw/zinc/18/13/17/222181317.db2.gz BTKKQMBBSMRMJZ-CYBMUJFWSA-N 1 0 370.478 3.761 50 0 FHAARO CC[NH+](CC)Cc1cccc(NC(=O)N[C@H](C)c2cn3ncsc3n2)c1 ZINC000097463507 222181324 /nfs/dbraw/zinc/18/13/24/222181324.db2.gz GJLUVYZGGIDVJZ-CYBMUJFWSA-N 1 0 372.498 3.515 50 0 FHAARO Cc1c(C(=O)N2CC[NH+](C3CCSCC3)CC2)[nH]c2c1c(C)ccc2C ZINC000097551306 222191296 /nfs/dbraw/zinc/19/12/96/222191296.db2.gz HYFXZGVCQFYMJQ-UHFFFAOYSA-N 1 0 371.550 3.747 50 0 FHAARO CC1(C)Cc2cc(C[NH+]3CCC([C@H](O)c4ccccn4)CC3)ccc2O1 ZINC000097514199 222186946 /nfs/dbraw/zinc/18/69/46/222186946.db2.gz RTKQLTPNESRPNC-NRFANRHFSA-N 1 0 352.478 3.741 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1Cn1cccn1 ZINC000097527206 222188521 /nfs/dbraw/zinc/18/85/21/222188521.db2.gz YDSDRNQVWYRRSJ-SFHVURJKSA-N 1 0 352.438 3.574 50 0 FHAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)c1 ZINC000097618931 222200072 /nfs/dbraw/zinc/20/00/72/222200072.db2.gz WVXSZZYTYNLOQM-LJQANCHMSA-N 1 0 352.438 3.823 50 0 FHAARO C[C@H](c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)o1)[NH+]1CCCCC1 ZINC000097742809 222209627 /nfs/dbraw/zinc/20/96/27/222209627.db2.gz ZHHVAVZBXGICKT-OAHLLOKOSA-N 1 0 366.465 3.675 50 0 FHAARO COc1ccc(Cn2cc(-c3ccc(C[NH+]4CCCCC4)cn3)cn2)cc1 ZINC000097759502 222211334 /nfs/dbraw/zinc/21/13/34/222211334.db2.gz TWSQXHVRLUZVLV-UHFFFAOYSA-N 1 0 362.477 3.988 50 0 FHAARO COc1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000097775563 222211830 /nfs/dbraw/zinc/21/18/30/222211830.db2.gz BSVJDTKIUZLZLX-QHCPKHFHSA-N 1 0 366.505 3.865 50 0 FHAARO CN(C)c1ccc(N[C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000101129391 222264027 /nfs/dbraw/zinc/26/40/27/222264027.db2.gz PDFLSMSXRBHWCE-IBGZPJMESA-N 1 0 359.429 3.650 50 0 FHAARO Cc1nc(CC(=O)N(Cc2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cs1 ZINC000101883079 222286102 /nfs/dbraw/zinc/28/61/02/222286102.db2.gz KVQILJYECNUZIH-PMOLBWCYSA-N 1 0 369.534 3.648 50 0 FHAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000006788179 263347006 /nfs/dbraw/zinc/34/70/06/263347006.db2.gz XLWINFFXDVVNRG-GOSISDBHSA-N 1 0 351.494 3.658 50 0 FHAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=CC[C@H]1c1ccccc1 ZINC000008559885 263356314 /nfs/dbraw/zinc/35/63/14/263356314.db2.gz XLNSAKYUEHNFKB-QFIPXVFZSA-N 1 0 361.489 3.901 50 0 FHAARO Cc1cc(C)nc(CC[NH2+]Cc2c[nH]nc2-c2cccc3ccccc32)n1 ZINC000019781939 263375996 /nfs/dbraw/zinc/37/59/96/263375996.db2.gz DBLQJKFSPIYDJD-UHFFFAOYSA-N 1 0 357.461 3.969 50 0 FHAARO C[C@H]1C[NH+](CCCOc2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000020167399 263378809 /nfs/dbraw/zinc/37/88/09/263378809.db2.gz XLTNEDTUYPIMMM-RYUDHWBXSA-N 1 0 362.695 3.981 50 0 FHAARO CN(Cc1cc(C2CC2)on1)C(=O)NCC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000426434462 263589925 /nfs/dbraw/zinc/58/99/25/263589925.db2.gz MMPSBHPMEWUZEU-LJQANCHMSA-N 1 0 374.529 3.881 50 0 FHAARO CC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(OCCC[NH3+])c(Cl)c1 ZINC000426612934 263643631 /nfs/dbraw/zinc/64/36/31/263643631.db2.gz SLSZXBJHSSABSJ-KRWDZBQOSA-N 1 0 361.873 3.686 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCCNc2cccnc2)c1 ZINC000299800572 534162515 /nfs/dbraw/zinc/16/25/15/534162515.db2.gz WZAMANCOXFRFMO-QGZVFWFLSA-N 1 0 367.497 3.690 50 0 FHAARO Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)cc1OCC[NH3+] ZINC000299776190 534264061 /nfs/dbraw/zinc/26/40/61/534264061.db2.gz LPERTGCXKOFOPR-UHFFFAOYSA-N 1 0 358.441 3.832 50 0 FHAARO O=C(NCCc1ccccc1)[C@H]1CC12CC[NH+](Cc1ccsc1)CC2 ZINC000299768399 534475045 /nfs/dbraw/zinc/47/50/45/534475045.db2.gz NCMGOVXQLXEWKV-LJQANCHMSA-N 1 0 354.519 3.709 50 0 FHAARO CC[NH+](CC)CCn1c2ccccc2n(CCOc2ccc(C)cc2)c1=N ZINC000020069476 520714563 /nfs/dbraw/zinc/71/45/63/520714563.db2.gz LPQOEWVMYXKCIH-UHFFFAOYSA-N 1 0 366.509 3.651 50 0 FHAARO CCCN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000269188391 521444864 /nfs/dbraw/zinc/44/48/64/521444864.db2.gz VGXVTMYRDOGUCR-OAHLLOKOSA-N 1 0 359.857 3.741 50 0 FHAARO C[NH2+]CCCNCc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020875047 521997120 /nfs/dbraw/zinc/99/71/20/521997120.db2.gz OJWBYEXKBHQGIL-UHFFFAOYSA-N 1 0 362.901 3.935 50 0 FHAARO COC[C@H]1CCC[N@H+](Cc2nc(-c3cccc(OC)c3OC)oc2C)C1 ZINC000020909470 522832368 /nfs/dbraw/zinc/83/23/68/522832368.db2.gz XKZAYSMKRQSTGN-HNNXBMFYSA-N 1 0 360.454 3.526 50 0 FHAARO CCn1ccc2cc(C[N@@H+]3CC[C@@]4(C3)CCCN(CC3CC3)C4=O)ccc21 ZINC000091677659 523494927 /nfs/dbraw/zinc/49/49/27/523494927.db2.gz QBAUONANDVEPOR-HSZRJFAPSA-N 1 0 365.521 3.886 50 0 FHAARO COc1ccc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)cc1O ZINC000020166680 524010307 /nfs/dbraw/zinc/01/03/07/524010307.db2.gz ZAXLLBZMOFFLTH-GOSISDBHSA-N 1 0 358.457 3.636 50 0 FHAARO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000078710431 524026636 /nfs/dbraw/zinc/02/66/36/524026636.db2.gz VYWGZSQKNOBEOT-CVEARBPZSA-N 1 0 360.523 3.911 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCNc2ncnc3onc(-c4ccc(F)cc4)c32)C1 ZINC000020574495 524222988 /nfs/dbraw/zinc/22/29/88/524222988.db2.gz QCHKNGXTAQQTIT-CQSZACIVSA-N 1 0 369.444 3.958 50 0 FHAARO C[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000245253911 524246301 /nfs/dbraw/zinc/24/63/01/524246301.db2.gz RQYGBQGUEMQQBG-UZLBHIALSA-N 1 0 364.445 3.843 50 0 FHAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3cc(F)ccc3F)C2)cc1 ZINC000020889905 524467593 /nfs/dbraw/zinc/46/75/93/524467593.db2.gz HMLCYDIGVFLPGQ-INIZCTEOSA-N 1 0 359.420 3.917 50 0 FHAARO COc1ccccc1C[NH2+]C[C@](O)(c1ccccc1)c1ccc(F)cc1 ZINC000020365977 524487518 /nfs/dbraw/zinc/48/75/18/524487518.db2.gz WDJMILOFAGODTB-QFIPXVFZSA-N 1 0 351.421 3.860 50 0 FHAARO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000240465962 524560823 /nfs/dbraw/zinc/56/08/23/524560823.db2.gz GBSOZZTXUXRUSH-LAUBAEHRSA-N 1 0 368.477 3.656 50 0 FHAARO Cc1cccc(NC(=O)CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000019853636 524584142 /nfs/dbraw/zinc/58/41/42/524584142.db2.gz MXLYFJDJNVUSPV-UXBLZVDNSA-N 1 0 363.505 3.655 50 0 FHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2OCc2ccc(F)cc2)C1 ZINC000156246061 524845267 /nfs/dbraw/zinc/84/52/67/524845267.db2.gz ZFMHMKSYFNZULS-DOTOQJQBSA-N 1 0 356.441 3.604 50 0 FHAARO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000241161275 525013911 /nfs/dbraw/zinc/01/39/11/525013911.db2.gz JZPWWFKOFOUMQN-AUSIDOKSSA-N 1 0 360.505 3.542 50 0 FHAARO COc1ccc([C@@H](CNC(=O)CCc2ccccc2Cl)[NH+](C)C)cc1 ZINC000021224119 525181503 /nfs/dbraw/zinc/18/15/03/525181503.db2.gz GOMMCSREMSWAKM-LJQANCHMSA-N 1 0 360.885 3.700 50 0 FHAARO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020639080 525307226 /nfs/dbraw/zinc/30/72/26/525307226.db2.gz SFSGMLLQAWAPJO-IBGZPJMESA-N 1 0 374.912 3.519 50 0 FHAARO COc1cccc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)c1OC ZINC000019836041 525940317 /nfs/dbraw/zinc/94/03/17/525940317.db2.gz CNTJRRJLOMMOAE-FQEVSTJZSA-N 1 0 354.494 3.800 50 0 FHAARO Fc1cccc(-c2nnc(CN3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)o2)c1 ZINC000091663141 526381011 /nfs/dbraw/zinc/38/10/11/526381011.db2.gz AALVSXIBLRIHJS-QFBILLFUSA-N 1 0 370.472 3.572 50 0 FHAARO O=C1CC2(CN1C/C=C/c1ccccc1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC000091616817 526961814 /nfs/dbraw/zinc/96/18/14/526961814.db2.gz WGXKOPMATHQHHY-JLXBBBJOSA-N 1 0 368.521 3.583 50 0 FHAARO [NH3+]C[C@@H]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000178519498 527217692 /nfs/dbraw/zinc/21/76/92/527217692.db2.gz ARLZPQXCAAVFRC-VIFPVBQESA-N 1 0 356.278 3.538 50 0 FHAARO Cn1cnnc1[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000089761912 527532162 /nfs/dbraw/zinc/53/21/62/527532162.db2.gz HOIHZVPHOGGZIG-CQSZACIVSA-N 1 0 357.845 3.503 50 0 FHAARO OCC[N@H+](Cc1cccs1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000019811946 527551619 /nfs/dbraw/zinc/55/16/19/527551619.db2.gz AQBXNMVDTDARPT-UHFFFAOYSA-N 1 0 353.447 3.879 50 0 FHAARO CCCc1ccccc1NC(=O)N1CCCC[C@H]1CC[NH+]1CCN(C)CC1 ZINC000299778252 528644036 /nfs/dbraw/zinc/64/40/36/528644036.db2.gz GXGANXOYJXJCFA-FQEVSTJZSA-N 1 0 372.557 3.663 50 0 FHAARO CC[C@](Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)[NH+](C)C ZINC000000820475 535869878 /nfs/dbraw/zinc/86/98/78/535869878.db2.gz UHFFVFAKEGKNAQ-QHCPKHFHSA-N 1 0 366.505 3.659 50 0 FHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000003553067 536421233 /nfs/dbraw/zinc/42/12/33/536421233.db2.gz ZXLYQIGBMNBIGR-RUDMXATFSA-N 1 0 373.859 3.883 50 0 FHAARO CC(C)(O)CCc1cccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000072468428 538121647 /nfs/dbraw/zinc/12/16/47/538121647.db2.gz HWXQXDLIKYIIBV-OAQYLSRUSA-N 1 0 372.553 3.871 50 0 FHAARO CCc1nc(C)sc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000215057585 568047204 /nfs/dbraw/zinc/04/72/04/568047204.db2.gz CCWYGKWMFUTLFW-MRXNPFEDSA-N 1 0 357.523 3.574 50 0 FHAARO c1nc(C2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)no1 ZINC000215205041 568057640 /nfs/dbraw/zinc/05/76/40/568057640.db2.gz HWJNJPJQGLOOCK-UHFFFAOYSA-N 1 0 359.433 3.764 50 0 FHAARO CC[C@H](C)Sc1ncc(CN2CCC(c3ncncc3C)CC2)cn1 ZINC000215209663 568057975 /nfs/dbraw/zinc/05/79/75/568057975.db2.gz ZDTAESDQDBHTBX-HNNXBMFYSA-N 1 0 357.527 3.845 50 0 FHAARO CC[C@@H](C)Oc1cccc(C[N@@H+]2CCCN(Cc3ccccn3)CC2)c1 ZINC000215289894 568062145 /nfs/dbraw/zinc/06/21/45/568062145.db2.gz XPVBDMVVGSZXFL-LJQANCHMSA-N 1 0 353.510 3.967 50 0 FHAARO CCOc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4nnc[nH]4)C3)o2)cc1 ZINC000215720333 568085418 /nfs/dbraw/zinc/08/54/18/568085418.db2.gz ISAPUCZUWVRROV-INIZCTEOSA-N 1 0 352.438 3.843 50 0 FHAARO COCc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)s1 ZINC000216037051 568102033 /nfs/dbraw/zinc/10/20/33/568102033.db2.gz WUFXDOGXUXTFME-QGZVFWFLSA-N 1 0 358.507 3.504 50 0 FHAARO CCOc1ccc2nc(CN3CCC([NH+]4CCSCC4)CC3)ccc2c1 ZINC000216196059 568111578 /nfs/dbraw/zinc/11/15/78/568111578.db2.gz ROYNZLVQNXYTCR-UHFFFAOYSA-N 1 0 371.550 3.647 50 0 FHAARO CN(Cc1nnc(-c2ccccc2)o1)Cc1cc(F)ccc1-n1cccn1 ZINC000216391363 568121414 /nfs/dbraw/zinc/12/14/14/568121414.db2.gz FHHQXXBHYLLFKF-UHFFFAOYSA-N 1 0 363.396 3.693 50 0 FHAARO COc1cc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc(Cl)c1OC ZINC000216500178 568126009 /nfs/dbraw/zinc/12/60/09/568126009.db2.gz FMDZTWHGAYBYJH-GOSISDBHSA-N 1 0 360.885 3.846 50 0 FHAARO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000012327057 568181148 /nfs/dbraw/zinc/18/11/48/568181148.db2.gz HNEHWWHRIBAYFK-MSOLQXFVSA-N 1 0 365.477 3.673 50 0 FHAARO O=C(NCc1ccccc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000390828177 568271571 /nfs/dbraw/zinc/27/15/71/568271571.db2.gz PHPWGEMSZMRUSS-CBPXPLCBSA-N 1 0 365.521 3.791 50 0 FHAARO COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000012355721 568313051 /nfs/dbraw/zinc/31/30/51/568313051.db2.gz VYLHWHGQHLJXQC-MRXNPFEDSA-N 1 0 364.898 3.977 50 0 FHAARO C[N@H+](CCCNC(=O)/C=C/c1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000032902653 568413904 /nfs/dbraw/zinc/41/39/04/568413904.db2.gz JTRAFQQLMDKIBN-BUHFOSPRSA-N 1 0 374.488 3.524 50 0 FHAARO O=C(C[NH+]1CCCCCC1)N[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000223598269 568675960 /nfs/dbraw/zinc/67/59/60/568675960.db2.gz ZVAOVAFFLXTCHG-HXUWFJFHSA-N 1 0 357.885 3.817 50 0 FHAARO COc1cc(C)ccc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1c(C)noc1C)C2 ZINC000091907446 570442452 /nfs/dbraw/zinc/44/24/52/570442452.db2.gz SRHNLKKVMMMQRI-AZUAARDMSA-N 1 0 369.509 3.705 50 0 FHAARO O=C1CC[C@@]2(CCC[N@H+](Cc3cncn3C3CCCC3)C2)CN1CC1CC1 ZINC000091986034 570443991 /nfs/dbraw/zinc/44/39/91/570443991.db2.gz FTGNKQGWVNULBS-JOCHJYFZSA-N 1 0 370.541 3.613 50 0 FHAARO Cc1noc2ncnc(NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCC3)c12 ZINC000091998183 570444516 /nfs/dbraw/zinc/44/45/16/570444516.db2.gz ZKMSCIMHWWXEAF-HNNXBMFYSA-N 1 0 357.845 3.829 50 0 FHAARO COc1ccc(/C=C/CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)cc1 ZINC000092004142 570444893 /nfs/dbraw/zinc/44/48/93/570444893.db2.gz WKUIHCHYOXMNHW-HLFKLIKESA-N 1 0 363.505 3.700 50 0 FHAARO CC(C)Cc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)on1 ZINC000092062028 570446558 /nfs/dbraw/zinc/44/65/58/570446558.db2.gz QYBJOGGUAWLKHM-UYAOXDASSA-N 1 0 367.493 3.610 50 0 FHAARO CCC[C@@H](O)C[N@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101096 570451247 /nfs/dbraw/zinc/45/12/47/570451247.db2.gz COMNCEHONISSOD-JOCHJYFZSA-N 1 0 371.521 3.654 50 0 FHAARO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095364025 570454866 /nfs/dbraw/zinc/45/48/66/570454866.db2.gz HKFVAJADFANLII-FQEVSTJZSA-N 1 0 374.488 3.816 50 0 FHAARO C[N@@H+]1CCC[C@H](CCC(=O)NCc2cc(-c3ccccc3Cl)no2)C1 ZINC000095366916 570455411 /nfs/dbraw/zinc/45/54/11/570455411.db2.gz BTTMLDNCCIUFFZ-CQSZACIVSA-N 1 0 361.873 3.733 50 0 FHAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095368954 570456228 /nfs/dbraw/zinc/45/62/28/570456228.db2.gz IDFIAFWPYZUMFG-HNNXBMFYSA-N 1 0 369.440 3.771 50 0 FHAARO Cc1noc(C)c1CN1CC2(CC1=O)CC[NH+](Cc1cccc(C)c1)CC2 ZINC000095379414 570458201 /nfs/dbraw/zinc/45/82/01/570458201.db2.gz JEGAZSFZBIGDPN-UHFFFAOYSA-N 1 0 367.493 3.615 50 0 FHAARO CSc1cccc(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)c1 ZINC000095390822 570460646 /nfs/dbraw/zinc/46/06/46/570460646.db2.gz XBMLSQNAXISRRV-KRWDZBQOSA-N 1 0 358.507 3.872 50 0 FHAARO c1ncn(C2CC2)c1CN1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095497663 570462259 /nfs/dbraw/zinc/46/22/59/570462259.db2.gz HFRCIDFKHLISAN-RBBKRZOGSA-N 1 0 364.537 3.747 50 0 FHAARO C[C@@H](c1nccs1)N(C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000095501613 570463438 /nfs/dbraw/zinc/46/34/38/570463438.db2.gz PPQGIWJLRDICOB-AWEZNQCLSA-N 1 0 374.510 3.841 50 0 FHAARO Cc1[nH]ccc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000095505012 570463772 /nfs/dbraw/zinc/46/37/72/570463772.db2.gz ACTCQIOPRBNMIN-IBGZPJMESA-N 1 0 353.510 3.658 50 0 FHAARO CCSc1nc2ccc(NC(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2o1 ZINC000095520680 570467535 /nfs/dbraw/zinc/46/75/35/570467535.db2.gz KCABTBSEYOZDNU-UONOGXRCSA-N 1 0 360.483 3.640 50 0 FHAARO Cc1cnccc1C[NH2+]C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000095523155 570467849 /nfs/dbraw/zinc/46/78/49/570467849.db2.gz OINTWZMINCCSMG-UHFFFAOYSA-N 1 0 365.506 3.667 50 0 FHAARO Cc1ncsc1-c1nc(CC2CC[NH+](C)CC2)nn1Cc1ccccc1 ZINC000095526494 570468917 /nfs/dbraw/zinc/46/89/17/570468917.db2.gz WEUZZWNQSMTIEK-UHFFFAOYSA-N 1 0 367.522 3.643 50 0 FHAARO CC[C@H](Cn1ccnc1)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000095527432 570468949 /nfs/dbraw/zinc/46/89/49/570468949.db2.gz WKEUUFTWAWZXDA-OAHLLOKOSA-N 1 0 355.511 3.530 50 0 FHAARO COc1ccc(CN2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)cc1O ZINC000095529725 570469475 /nfs/dbraw/zinc/46/94/75/570469475.db2.gz UJEFTUZULVWTOI-HXUWFJFHSA-N 1 0 366.505 3.855 50 0 FHAARO O=C(CCC1CC[NH+](Cc2ccoc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000095528771 570469598 /nfs/dbraw/zinc/46/95/98/570469598.db2.gz HZVPJWJKNJHTQM-UHFFFAOYSA-N 1 0 370.449 3.682 50 0 FHAARO COc1ccc(CC[N@H+](C)CCC(=O)Nc2cc(C)ccc2C)cc1OC ZINC000001174802 570487753 /nfs/dbraw/zinc/48/77/53/570487753.db2.gz HNJHNQNQFOADIN-UHFFFAOYSA-N 1 0 370.493 3.824 50 0 FHAARO Cc1cc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)n(-c2cc[nH+]cc2)n1 ZINC000072303445 570497021 /nfs/dbraw/zinc/49/70/21/570497021.db2.gz UEDDSOFRAAZMNQ-UHFFFAOYSA-N 1 0 366.808 3.644 50 0 FHAARO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)no1 ZINC000046437956 570501660 /nfs/dbraw/zinc/50/16/60/570501660.db2.gz ZLLDDGIUQCAJNO-AWEZNQCLSA-N 1 0 356.451 3.758 50 0 FHAARO Cc1cccc(C(=O)c2ccc(C[NH+]3CCC4(CC3)OCCO4)cc2)c1C ZINC000002514734 570523290 /nfs/dbraw/zinc/52/32/90/570523290.db2.gz BLQADPMAUMHJSV-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3ccc(F)cc3F)c2)C1 ZINC000034670410 570527161 /nfs/dbraw/zinc/52/71/61/570527161.db2.gz FENOZGMFYHMEEN-HNNXBMFYSA-N 1 0 360.404 3.802 50 0 FHAARO O=C(c1cccc(F)c1)N(C[C@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000034697322 570530733 /nfs/dbraw/zinc/53/07/33/570530733.db2.gz TUNOMVMIWQCNPY-OXQOHEQNSA-N 1 0 356.416 3.573 50 0 FHAARO CCc1ccc(N(C(=O)COC)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034683102 570532195 /nfs/dbraw/zinc/53/21/95/570532195.db2.gz KYNRNQFCJCXFNE-UHFFFAOYSA-N 1 0 372.534 3.955 50 0 FHAARO CCNC(=O)c1ccc(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)cc1 ZINC000034684944 570532742 /nfs/dbraw/zinc/53/27/42/570532742.db2.gz RXDHYQNOAHWTNJ-UHFFFAOYSA-N 1 0 364.489 3.559 50 0 FHAARO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002926277 570544334 /nfs/dbraw/zinc/54/43/34/570544334.db2.gz FOSCWPSGQXYLRG-UHFFFAOYSA-N 1 0 374.312 3.560 50 0 FHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)C1 ZINC000237366147 570550812 /nfs/dbraw/zinc/55/08/12/570550812.db2.gz UKYNUHLETGDQMJ-HIFRSBDPSA-N 1 0 360.404 3.957 50 0 FHAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000237408882 570552534 /nfs/dbraw/zinc/55/25/34/570552534.db2.gz LSPTWFMDMKSNGP-STQMWFEESA-N 1 0 359.297 3.738 50 0 FHAARO COc1ccc2cc3cc(C(=O)NCCC[NH+]4CCCC4)sc3nc2c1 ZINC000004886389 570554372 /nfs/dbraw/zinc/55/43/72/570554372.db2.gz RWDBHPMMTQTJPK-UHFFFAOYSA-N 1 0 369.490 3.674 50 0 FHAARO CCCC[N@H+](C)CCNC(=O)c1cc2cc3cc(OC)ccc3nc2s1 ZINC000004901171 570556782 /nfs/dbraw/zinc/55/67/82/570556782.db2.gz IFZWRTZADNLLBU-UHFFFAOYSA-N 1 0 371.506 3.920 50 0 FHAARO O[C@@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc(-c2ccncc2)cs1 ZINC000004916055 570559096 /nfs/dbraw/zinc/55/90/96/570559096.db2.gz ZKEVILHGHHTJSI-IAQYHMDHSA-N 1 0 368.384 3.822 50 0 FHAARO CCn1nc(C(=O)NCC[NH+]2CCCC2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902011 570562364 /nfs/dbraw/zinc/56/23/64/570562364.db2.gz YXIQXDOUBXWTCK-UHFFFAOYSA-N 1 0 368.525 3.693 50 0 FHAARO CC(C)C[NH+](CCCNC(=O)c1ccc(N2CCCC2=O)cc1)CC(C)C ZINC000004991446 570572847 /nfs/dbraw/zinc/57/28/47/570572847.db2.gz PLECEXCSRXIDFX-UHFFFAOYSA-N 1 0 373.541 3.547 50 0 FHAARO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000004019482 570573178 /nfs/dbraw/zinc/57/31/78/570573178.db2.gz SLMWKNYKHBTVTM-SNHMRICDSA-N 1 0 352.478 3.513 50 0 FHAARO CC[NH+](CC)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000005010110 570574951 /nfs/dbraw/zinc/57/49/51/570574951.db2.gz XBYIRYDJOVXGAL-LJQANCHMSA-N 1 0 355.478 3.584 50 0 FHAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3cccc(F)c3)nc2c1 ZINC000005121501 570587642 /nfs/dbraw/zinc/58/76/42/570587642.db2.gz YENZTNMBTCYJNL-UHFFFAOYSA-N 1 0 373.453 3.652 50 0 FHAARO Cc1cc2c(cc(C(=O)NCC[NH+]3CCCC3)n2Cc2ccccc2)s1 ZINC000037588218 570592661 /nfs/dbraw/zinc/59/26/61/570592661.db2.gz HHHRLOHWLHRRKR-UHFFFAOYSA-N 1 0 367.518 3.885 50 0 FHAARO CCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000038545819 570593925 /nfs/dbraw/zinc/59/39/25/570593925.db2.gz KNQKUWDNXCVRQP-NRFANRHFSA-N 1 0 370.493 3.712 50 0 FHAARO Cc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C[C@H]2CCCO2)c1 ZINC000248027063 570595489 /nfs/dbraw/zinc/59/54/89/570595489.db2.gz OTZUCQPIWAZSJB-FGZHOGPDSA-N 1 0 369.505 3.724 50 0 FHAARO COc1ccccc1C[NH+]1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000004551195 570596142 /nfs/dbraw/zinc/59/61/42/570596142.db2.gz BXUSRZOSQZLZHD-UHFFFAOYSA-N 1 0 372.896 3.877 50 0 FHAARO COc1ccc(CC[N@H+](C)CCC(=O)Nc2cccc(C)c2)cc1OC ZINC000004724959 570603432 /nfs/dbraw/zinc/60/34/32/570603432.db2.gz GMQVBKSVRUXKGW-UHFFFAOYSA-N 1 0 356.466 3.515 50 0 FHAARO COc1cc(C)c(-c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)cc1C ZINC000426488477 570608581 /nfs/dbraw/zinc/60/85/81/570608581.db2.gz YAMZJQJKMNZAJE-IBGZPJMESA-N 1 0 352.478 3.755 50 0 FHAARO CCC[NH2+]Cc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000004865999 570611645 /nfs/dbraw/zinc/61/16/45/570611645.db2.gz JGPBNEWMFKKKBE-UHFFFAOYSA-N 1 0 365.271 3.931 50 0 FHAARO COc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)ccc1OCC(=O)N1CCCC1 ZINC000072659558 570621643 /nfs/dbraw/zinc/62/16/43/570621643.db2.gz XLTHLDILRPMXCA-ZHALLVOQSA-N 1 0 374.525 3.611 50 0 FHAARO COCCN(C)c1ccc(C[NH2+]CC2(c3cccc(Cl)c3)CC2)cn1 ZINC000252481866 570622132 /nfs/dbraw/zinc/62/21/32/570622132.db2.gz CUFBPTRFVBGTEN-UHFFFAOYSA-N 1 0 359.901 3.639 50 0 FHAARO Cc1nn2c(nc(C(C)(C)C)cc2NCC[NH+](C)C)c1-c1ccccc1 ZINC000005562192 570630757 /nfs/dbraw/zinc/63/07/57/570630757.db2.gz VLLNCOWBFZTWNB-UHFFFAOYSA-N 1 0 351.498 3.976 50 0 FHAARO COc1cc(C(=O)O[C@@H](C)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc(OC)c1OC ZINC000005720815 570634040 /nfs/dbraw/zinc/63/40/40/570634040.db2.gz IFISOMHXZPOZTF-ZNMIVQPWSA-N 1 0 365.470 3.521 50 0 FHAARO CCc1nnc2c(NCCC[N@H+]3CCCC[C@@H]3CC)nc3ccccc3n12 ZINC000007504204 570664918 /nfs/dbraw/zinc/66/49/18/570664918.db2.gz BSXNCMVFUBYZRJ-INIZCTEOSA-N 1 0 366.513 3.906 50 0 FHAARO COc1ccc(-c2nc3cc(C(=[NH2+])NC(C)C)ccc3n2C)cc1OC ZINC000005130948 570676911 /nfs/dbraw/zinc/67/69/11/570676911.db2.gz MGXQZFHYACQDBX-UHFFFAOYSA-N 1 0 352.438 3.581 50 0 FHAARO CC(C)N(C(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)cc1)C(C)C ZINC000071920710 570678454 /nfs/dbraw/zinc/67/84/54/570678454.db2.gz FQDIBCIUHJRCCI-AWEZNQCLSA-N 1 0 355.320 3.915 50 0 FHAARO CCOc1ccc([N+]2=C3CCCCCN3[C@](O)(c3cccs3)C2)cc1 ZINC000002974618 570678602 /nfs/dbraw/zinc/67/86/02/570678602.db2.gz XWTCQVMZOHWQIX-HXUWFJFHSA-N 1 0 357.499 3.797 50 0 FHAARO CCc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(OC)cc3)C2)cc1 ZINC000002966301 570678995 /nfs/dbraw/zinc/67/89/95/570678995.db2.gz OVOVIRIYKBNDMA-QFIPXVFZSA-N 1 0 351.470 3.518 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000010113911 570698589 /nfs/dbraw/zinc/69/85/89/570698589.db2.gz ZOJMVMNHNJAGEV-UHFFFAOYSA-N 1 0 363.505 3.635 50 0 FHAARO OCCOCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000010436418 570700927 /nfs/dbraw/zinc/70/09/27/570700927.db2.gz IOHISNYGICDWFF-UHFFFAOYSA-N 1 0 370.276 3.671 50 0 FHAARO CC(=O)c1ccccc1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000011661313 570704191 /nfs/dbraw/zinc/70/41/91/570704191.db2.gz KZBHTMVRYMGZIA-IBGZPJMESA-N 1 0 350.462 3.626 50 0 FHAARO Cc1ccc(N[C@H]2CCC[N@H+](Cc3cccn3-c3ncccn3)C2)cc1C ZINC000011816614 570707561 /nfs/dbraw/zinc/70/75/61/570707561.db2.gz NOPRKZCVJKTTQB-FQEVSTJZSA-N 1 0 361.493 3.961 50 0 FHAARO COc1ccc(CC2(CO)CC[NH+](Cc3cc(OC)ccc3F)CC2)cc1 ZINC000011842972 570709314 /nfs/dbraw/zinc/70/93/14/570709314.db2.gz DWQJJTFTPYZDFN-UHFFFAOYSA-N 1 0 373.468 3.660 50 0 FHAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000011844083 570709739 /nfs/dbraw/zinc/70/97/39/570709739.db2.gz UERYLOAWQISEDH-LJQANCHMSA-N 1 0 354.519 3.902 50 0 FHAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 ZINC000011844441 570709786 /nfs/dbraw/zinc/70/97/86/570709786.db2.gz CYUMRFIZGBURPV-GOSISDBHSA-N 1 0 370.497 3.886 50 0 FHAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1)NC1CC1 ZINC000011873638 570710468 /nfs/dbraw/zinc/71/04/68/570710468.db2.gz HTRZERBANPAQNW-CQSZACIVSA-N 1 0 354.416 3.976 50 0 FHAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+]([C@@H](C)CSC)CC1 ZINC000011878467 570710927 /nfs/dbraw/zinc/71/09/27/570710927.db2.gz CCWPNVFCHLTASB-HNNXBMFYSA-N 1 0 353.503 3.765 50 0 FHAARO O=C(CCc1ccsc1)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011999596 570714142 /nfs/dbraw/zinc/71/41/42/570714142.db2.gz OKKDYZBSTAYNQZ-FQEVSTJZSA-N 1 0 356.535 3.894 50 0 FHAARO c1cnc(N2CCC[C@H]([NH2+]Cc3cccc(OC4CCCC4)c3)C2)nc1 ZINC000012072526 570716080 /nfs/dbraw/zinc/71/60/80/570716080.db2.gz KCKNPSXFUBRSKM-SFHVURJKSA-N 1 0 352.482 3.557 50 0 FHAARO CC(=O)Nc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cc1 ZINC000012187042 570724777 /nfs/dbraw/zinc/72/47/77/570724777.db2.gz CLARXHXWAWNVFQ-NRFANRHFSA-N 1 0 356.441 3.965 50 0 FHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)CC1 ZINC000012300435 570733930 /nfs/dbraw/zinc/73/39/30/570733930.db2.gz XQNDPEQECZGNPN-IBGZPJMESA-N 1 0 359.514 3.801 50 0 FHAARO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccc2cc[nH]c2c1 ZINC000012387229 570741304 /nfs/dbraw/zinc/74/13/04/570741304.db2.gz KMWHFCLEAARUCL-OAQYLSRUSA-N 1 0 361.489 3.995 50 0 FHAARO Cc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)s1 ZINC000012432872 570744698 /nfs/dbraw/zinc/74/46/98/570744698.db2.gz IIPRGMWCASNTEF-SFHVURJKSA-N 1 0 354.519 3.760 50 0 FHAARO C[NH+](C)CC(C)(C)CNC(=O)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000012433682 570744844 /nfs/dbraw/zinc/74/48/44/570744844.db2.gz UMACTSPQATVNHY-UHFFFAOYSA-N 1 0 374.485 3.520 50 0 FHAARO CC[C@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000012460234 570747549 /nfs/dbraw/zinc/74/75/49/570747549.db2.gz BQLOANARRFJVPC-KRWDZBQOSA-N 1 0 367.493 3.653 50 0 FHAARO COCC[NH2+]Cc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl ZINC000012459111 570747669 /nfs/dbraw/zinc/74/76/69/570747669.db2.gz GNAHLRDTSMSXTD-UHFFFAOYSA-N 1 0 371.868 3.937 50 0 FHAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000013657191 570782625 /nfs/dbraw/zinc/78/26/25/570782625.db2.gz XDQLOZDWOOQDDU-UHFFFAOYSA-N 1 0 366.440 3.547 50 0 FHAARO C[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)C1 ZINC000004436860 570782863 /nfs/dbraw/zinc/78/28/63/570782863.db2.gz ZPVUAOURUGLWNO-IERDGZPVSA-N 1 0 366.461 3.870 50 0 FHAARO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000032739815 570789339 /nfs/dbraw/zinc/78/93/39/570789339.db2.gz RXGFIGVJUMBJPL-HXUWFJFHSA-N 1 0 351.425 3.947 50 0 FHAARO CC(C)[NH2+]CC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000003156119 570789967 /nfs/dbraw/zinc/78/99/67/570789967.db2.gz OVLGMPBHGQQFKH-UHFFFAOYSA-N 1 0 354.273 3.509 50 0 FHAARO CN(C)C(=O)c1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)cc1 ZINC000015003335 570828796 /nfs/dbraw/zinc/82/87/96/570828796.db2.gz UPNRFBSBMKXWAZ-UHFFFAOYSA-N 1 0 371.912 3.800 50 0 FHAARO COc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c1 ZINC000004554074 570833574 /nfs/dbraw/zinc/83/35/74/570833574.db2.gz JOQRXJFDUAKZNY-KRWDZBQOSA-N 1 0 357.479 3.952 50 0 FHAARO Cc1cccc(NC(=O)c2c(NC(=O)C[NH2+]C(C)C)sc3c2CCC3)c1 ZINC000004554485 570833838 /nfs/dbraw/zinc/83/38/38/570833838.db2.gz KPXLKVBKSYNFHO-UHFFFAOYSA-N 1 0 371.506 3.734 50 0 FHAARO CC[NH+]1CCN(c2ccc(Nc3ncnc4sccc43)cc2C)CC1 ZINC000016739034 570860932 /nfs/dbraw/zinc/86/09/32/570860932.db2.gz INRQTMFISOBGPZ-UHFFFAOYSA-N 1 0 353.495 3.885 50 0 FHAARO C[C@@H]1C(=O)N(C[N@H+](C2CC2)C2CCCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000032923205 570862866 /nfs/dbraw/zinc/86/28/66/570862866.db2.gz JOYRTJKDGIHDSE-CYBMUJFWSA-N 1 0 361.873 3.862 50 0 FHAARO CC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)cc1 ZINC000046804757 570875408 /nfs/dbraw/zinc/87/54/08/570875408.db2.gz FEJODCXNUXYXDX-QWHCGFSZSA-N 1 0 359.857 3.976 50 0 FHAARO COc1ccccc1OCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000046934247 570877546 /nfs/dbraw/zinc/87/75/46/570877546.db2.gz NUYDWTNOEDLVJG-KRWDZBQOSA-N 1 0 368.477 3.945 50 0 FHAARO CCc1sc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1C ZINC000046933815 570877605 /nfs/dbraw/zinc/87/76/05/570877605.db2.gz MFFSTTIRWWULGU-UHFFFAOYSA-N 1 0 357.523 3.619 50 0 FHAARO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(F)cc2Br)C1 ZINC000046991396 570877969 /nfs/dbraw/zinc/87/79/69/570877969.db2.gz JNYISLPIQDXVMT-ZDUSSCGKSA-N 1 0 371.294 3.830 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cc(Br)ccc1F)c1cccs1 ZINC000036685219 570880939 /nfs/dbraw/zinc/88/09/39/570880939.db2.gz YNDFCTPGIAWUTP-CYBMUJFWSA-N 1 0 371.275 3.682 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(F)ccc2Br)C1 ZINC000047415637 570887976 /nfs/dbraw/zinc/88/79/76/570887976.db2.gz YLTGEQKHQFLOPE-BETUJISGSA-N 1 0 371.294 3.686 50 0 FHAARO Fc1cccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000019595240 570895785 /nfs/dbraw/zinc/89/57/85/570895785.db2.gz AMRIRKXCTVNVBP-QFIPXVFZSA-N 1 0 353.485 3.612 50 0 FHAARO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@H+](CC4CC4)C3)CC2)c1 ZINC000019595187 570895828 /nfs/dbraw/zinc/89/58/28/570895828.db2.gz KFWDOEGWRPCTGI-IBGZPJMESA-N 1 0 367.459 3.702 50 0 FHAARO COc1ccc(COC[C@H](O)C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)cc1 ZINC000108922247 570909694 /nfs/dbraw/zinc/90/96/94/570909694.db2.gz WDTSVCNVMNPGFD-XMSQKQJNSA-N 1 0 369.505 3.873 50 0 FHAARO Cc1[nH]c2ccccc2c1[C@H](O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000020444414 570916631 /nfs/dbraw/zinc/91/66/31/570916631.db2.gz OYEQUBUEWXNEPF-JOCHJYFZSA-N 1 0 363.505 3.949 50 0 FHAARO CCc1ccc([C@@H](CNC(=O)Nc2cccc(C(C)=O)c2)[NH+](C)C)cc1 ZINC000043239657 570930356 /nfs/dbraw/zinc/93/03/56/570930356.db2.gz CAAQDTCQMDYATN-HXUWFJFHSA-N 1 0 353.466 3.876 50 0 FHAARO Clc1cc(CN2CCC(C[NH+]3CCCC3)CC2)c2c(c1)COCO2 ZINC000047971121 570932975 /nfs/dbraw/zinc/93/29/75/570932975.db2.gz GUGQALJCSFKAKK-UHFFFAOYSA-N 1 0 350.890 3.514 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)C(C)C ZINC000048355775 570950913 /nfs/dbraw/zinc/95/09/13/570950913.db2.gz GSMHZOQAUHPGEI-LJQANCHMSA-N 1 0 374.529 3.691 50 0 FHAARO O=C1SCCN1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022916425 570952616 /nfs/dbraw/zinc/95/26/16/570952616.db2.gz DKSRIEMOGSVKQA-UHFFFAOYSA-N 1 0 367.518 3.520 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1cccs1 ZINC000023074398 570955656 /nfs/dbraw/zinc/95/56/56/570955656.db2.gz MTXPDQOFOAJIKY-INIZCTEOSA-N 1 0 369.490 3.755 50 0 FHAARO CC(C)c1ccccc1OCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000023133822 570956936 /nfs/dbraw/zinc/95/69/36/570956936.db2.gz ZXZLCJLGRLWQKU-UHFFFAOYSA-N 1 0 367.493 3.579 50 0 FHAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000023249336 570960914 /nfs/dbraw/zinc/96/09/14/570960914.db2.gz FWANGFMIFGHTSR-RBUKOAKNSA-N 1 0 374.525 3.518 50 0 FHAARO Cc1cc(Cl)ccc1OCC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000023330283 570961435 /nfs/dbraw/zinc/96/14/35/570961435.db2.gz KIKLQFLDRUOEIM-CQSZACIVSA-N 1 0 352.887 3.508 50 0 FHAARO COc1ccc(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1F ZINC000023374146 570962777 /nfs/dbraw/zinc/96/27/77/570962777.db2.gz YIOIOZJLSNZVHD-FQEVSTJZSA-N 1 0 356.485 3.973 50 0 FHAARO OCC[C@H]1CN(Cc2cc3ccccc3[nH]2)CC[N@@H+]1CC1CCCCC1 ZINC000023374809 570962824 /nfs/dbraw/zinc/96/28/24/570962824.db2.gz LKTDSPVXGFTFGZ-NRFANRHFSA-N 1 0 355.526 3.617 50 0 FHAARO NC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-c3csnn3)cc2)s1 ZINC000023478399 570964207 /nfs/dbraw/zinc/96/42/07/570964207.db2.gz ICXLACZDOCPUTD-OAHLLOKOSA-N 1 0 370.503 3.703 50 0 FHAARO CC[NH+](CC)CCCNc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000024013007 570969819 /nfs/dbraw/zinc/96/98/19/570969819.db2.gz JAGDISBZXJYDDE-UHFFFAOYSA-N 1 0 358.877 3.613 50 0 FHAARO CC[NH+](CC)CCn1c2ccccc2n(CCCOc2ccccc2)c1=N ZINC000025180118 570992353 /nfs/dbraw/zinc/99/23/53/570992353.db2.gz QOONIBLZJGNXTN-UHFFFAOYSA-N 1 0 366.509 3.733 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1F)c1ccsc1 ZINC000025331231 570994589 /nfs/dbraw/zinc/99/45/89/570994589.db2.gz QGMNWMZFDASUSL-AWEZNQCLSA-N 1 0 371.275 3.682 50 0 FHAARO O=C(c1cc(-c2ccco2)cs1)N1CCN(Cc2ccccc2)CC1 ZINC000072243235 570996843 /nfs/dbraw/zinc/99/68/43/570996843.db2.gz UUECMRLALNNEPL-UHFFFAOYSA-N 1 0 352.459 3.966 50 0 FHAARO Cc1noc(C)c1COc1ccccc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000027458846 571012670 /nfs/dbraw/zinc/01/26/70/571012670.db2.gz POAHRZZQXUIWMP-UHFFFAOYSA-N 1 0 373.497 3.719 50 0 FHAARO COc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)c1 ZINC000027581715 571014478 /nfs/dbraw/zinc/01/44/78/571014478.db2.gz AWOABZLSRKALFW-OAQYLSRUSA-N 1 0 352.478 3.961 50 0 FHAARO CCc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027582272 571014611 /nfs/dbraw/zinc/01/46/11/571014611.db2.gz KGNLCMJXKKHAQF-GOSISDBHSA-N 1 0 358.507 3.643 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000027667631 571018676 /nfs/dbraw/zinc/01/86/76/571018676.db2.gz OEYKOIXZUSLPCC-FQEVSTJZSA-N 1 0 368.477 3.661 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2)o1)c1cccs1 ZINC000027675640 571019135 /nfs/dbraw/zinc/01/91/35/571019135.db2.gz NBAWVJHRBGZXRU-KRWDZBQOSA-N 1 0 370.474 3.953 50 0 FHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)CCc3ccccc3F)cc2)CC1 ZINC000040107961 571022081 /nfs/dbraw/zinc/02/20/81/571022081.db2.gz IEOCYHFCJFYZBR-UHFFFAOYSA-N 1 0 369.484 3.535 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2C)[NH+]2CCCC2)cc1 ZINC000027992520 571025500 /nfs/dbraw/zinc/02/55/00/571025500.db2.gz XQSVQCBFARWYQJ-FQEVSTJZSA-N 1 0 352.478 3.636 50 0 FHAARO C[NH+](C)Cc1ccc(CNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1 ZINC000028022575 571026184 /nfs/dbraw/zinc/02/61/84/571026184.db2.gz ITVXCQWLYARHIK-UHFFFAOYSA-N 1 0 367.493 3.663 50 0 FHAARO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(OC)c1OC ZINC000028165703 571026942 /nfs/dbraw/zinc/02/69/42/571026942.db2.gz LGKYXWXGVJXUMG-UHFFFAOYSA-N 1 0 370.449 3.561 50 0 FHAARO CCc1ccc([C@H](CNC(=O)c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000028293178 571030884 /nfs/dbraw/zinc/03/08/84/571030884.db2.gz MXDNVBZLSVXYKI-FQEVSTJZSA-N 1 0 352.478 3.825 50 0 FHAARO CCc1ccc([C@H](CNC(=O)COc2ccccc2)[NH+]2CCCC2)cc1 ZINC000028403418 571031608 /nfs/dbraw/zinc/03/16/08/571031608.db2.gz XIXXZJINPHEESC-NRFANRHFSA-N 1 0 352.478 3.581 50 0 FHAARO Cc1cccc2oc(CCNC(=O)c3cccc(C[NH+]4CCCC4)c3)nc21 ZINC000225426594 571034541 /nfs/dbraw/zinc/03/45/41/571034541.db2.gz KJGMTHODQMYFIQ-UHFFFAOYSA-N 1 0 363.461 3.705 50 0 FHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000008313709 571039523 /nfs/dbraw/zinc/03/95/23/571039523.db2.gz USIUQONGISMQDC-UHFFFAOYSA-N 1 0 374.488 3.741 50 0 FHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)o1 ZINC000067253360 571045487 /nfs/dbraw/zinc/04/54/87/571045487.db2.gz WOBVNLRYBUJSKT-OAHLLOKOSA-N 1 0 354.429 3.733 50 0 FHAARO CC[NH+]1CCN(Cc2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 ZINC000038546591 571045466 /nfs/dbraw/zinc/04/54/66/571045466.db2.gz JBSOWULNPRSYIJ-UHFFFAOYSA-N 1 0 373.522 3.610 50 0 FHAARO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C(C)(C)C ZINC000225589154 571047398 /nfs/dbraw/zinc/04/73/98/571047398.db2.gz VRIBICFFRBKXIP-SFHVURJKSA-N 1 0 372.513 3.901 50 0 FHAARO COc1cc(C(=O)OCc2cn3cc(C)ccc3n2)ccc1OC(F)F ZINC000008461466 571047679 /nfs/dbraw/zinc/04/76/79/571047679.db2.gz JVXYWVBPBIIJKX-UHFFFAOYSA-N 1 0 362.332 3.610 50 0 FHAARO Cc1ccc(C)c(NC(=S)N2CCC([N@H+](C)C[C@@H]3CCCO3)CC2)c1 ZINC000008579791 571051040 /nfs/dbraw/zinc/05/10/40/571051040.db2.gz CPABGGWIKPVTAR-SFHVURJKSA-N 1 0 361.555 3.575 50 0 FHAARO Cc1cc(CN2CC[NH+](C[C@H](C)c3ccc(C(F)(F)F)cc3)CC2)on1 ZINC000225719234 571058871 /nfs/dbraw/zinc/05/88/71/571058871.db2.gz BEMBKPKWLRGFHU-AWEZNQCLSA-N 1 0 367.415 3.923 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)no2)cc1 ZINC000032622386 571059148 /nfs/dbraw/zinc/05/91/48/571059148.db2.gz RHKDLAJPVIRAIB-LJQANCHMSA-N 1 0 367.424 3.822 50 0 FHAARO CN1CCN(C(=O)c2ccc(Br)s2)[C@@H](c2ccccc2)C1 ZINC000030029251 571059563 /nfs/dbraw/zinc/05/95/63/571059563.db2.gz YTQMSRKTWWQDHP-CYBMUJFWSA-N 1 0 365.296 3.640 50 0 FHAARO Fc1ccc(C[N@@H+]2CCC[C@H](c3nc4c5ccccc5ncn4n3)C2)cc1 ZINC000039239690 571062448 /nfs/dbraw/zinc/06/24/48/571062448.db2.gz YIVPJHFQROUSRW-INIZCTEOSA-N 1 0 361.424 3.796 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)CCC(=O)c1cccs1)c1ccccc1 ZINC000039975658 571066602 /nfs/dbraw/zinc/06/66/02/571066602.db2.gz JSFNRTNJTJZAOZ-KRWDZBQOSA-N 1 0 358.507 3.910 50 0 FHAARO Cc1ccc2nc(C)cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000032961488 571068505 /nfs/dbraw/zinc/06/85/05/571068505.db2.gz CVWHKPBUEYXUOS-UHFFFAOYSA-N 1 0 351.494 3.942 50 0 FHAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc(F)ccc1F ZINC000040107639 571077989 /nfs/dbraw/zinc/07/79/89/571077989.db2.gz LFKDPSWPIHKPNG-UHFFFAOYSA-N 1 0 362.420 3.615 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000008945858 571079235 /nfs/dbraw/zinc/07/92/35/571079235.db2.gz INJQWJMHEMSUJQ-UHFFFAOYSA-N 1 0 350.553 3.768 50 0 FHAARO C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000060275019 571083298 /nfs/dbraw/zinc/08/32/98/571083298.db2.gz WGTILHOOMYKTLU-PZJWPPBQSA-N 1 0 358.526 3.562 50 0 FHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc2ccccc2n1 ZINC000008983046 571088627 /nfs/dbraw/zinc/08/86/27/571088627.db2.gz SLJANTNMDZWMEC-GCJKJVERSA-N 1 0 357.457 3.991 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc(F)cc1 ZINC000040158493 571088695 /nfs/dbraw/zinc/08/86/95/571088695.db2.gz CPLGMVGPGHLIGO-GOSISDBHSA-N 1 0 359.470 3.907 50 0 FHAARO Cc1ccc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)s1 ZINC000039393905 571088728 /nfs/dbraw/zinc/08/87/28/571088728.db2.gz BRKGAMUXEMECDF-HXUWFJFHSA-N 1 0 358.551 3.558 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC000040162228 571089848 /nfs/dbraw/zinc/08/98/48/571089848.db2.gz HNLJQNODBFXMSU-UXLLHSPISA-N 1 0 355.438 3.528 50 0 FHAARO Cc1ccc(COc2ccc(Br)cc2C[NH2+]CCCO)cc1 ZINC000040743667 571095913 /nfs/dbraw/zinc/09/59/13/571095913.db2.gz XPCVJGKIZRGQMS-UHFFFAOYSA-N 1 0 364.283 3.809 50 0 FHAARO COc1cc(C[NH2+]CCCO)ccc1OCc1c(F)cccc1Cl ZINC000040743641 571096073 /nfs/dbraw/zinc/09/60/73/571096073.db2.gz MCWRNVCGSJQHGB-UHFFFAOYSA-N 1 0 353.821 3.539 50 0 FHAARO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000084692269 571096872 /nfs/dbraw/zinc/09/68/72/571096872.db2.gz DCVHEURVXSDGDC-AZUAARDMSA-N 1 0 368.525 3.747 50 0 FHAARO COc1cc(C[NH2+][C@@H](C)Cc2ccco2)cc(Br)c1OC ZINC000035254474 571138012 /nfs/dbraw/zinc/13/80/12/571138012.db2.gz DYWMVZDBONSALV-NSHDSACASA-N 1 0 354.244 3.780 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4ncsc4c3)cc2)CC1 ZINC000009368489 571107058 /nfs/dbraw/zinc/10/70/58/571107058.db2.gz FFBYXYARAVQKDC-UHFFFAOYSA-N 1 0 366.490 3.691 50 0 FHAARO COc1ccc(-c2ccccc2)cc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000240128357 571108616 /nfs/dbraw/zinc/10/86/16/571108616.db2.gz IQHHSNRWGNDLMY-GOSISDBHSA-N 1 0 351.450 3.674 50 0 FHAARO COCC[N@H+](Cc1ccccn1)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000244659867 571114186 /nfs/dbraw/zinc/11/41/86/571114186.db2.gz HKCMNINFXMUIGD-UHFFFAOYSA-N 1 0 362.429 3.554 50 0 FHAARO COCCn1cncc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)c(C)c1)C2 ZINC000244716186 571115011 /nfs/dbraw/zinc/11/50/11/571115011.db2.gz LKEAISIEDOLXQU-REPLKXPHSA-N 1 0 357.473 3.888 50 0 FHAARO COc1cccc(OCC[N@@H+]2CC[C@@H](c3cccc(OC)c3OC)C2)c1 ZINC000244719064 571115498 /nfs/dbraw/zinc/11/54/98/571115498.db2.gz LWIHWNLTEQRPFH-MRXNPFEDSA-N 1 0 357.450 3.581 50 0 FHAARO C[N@H+](CCC(=O)Nc1ccc2c(c1)CCC2)Cc1ccccc1-n1cccn1 ZINC000244734469 571115929 /nfs/dbraw/zinc/11/59/29/571115929.db2.gz NFZIQDCNTJFPEZ-UHFFFAOYSA-N 1 0 374.488 3.822 50 0 FHAARO Cc1cc(C)n(CCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000244788058 571116515 /nfs/dbraw/zinc/11/65/15/571116515.db2.gz QIKOGHZERDBRPN-OAQYLSRUSA-N 1 0 368.525 3.624 50 0 FHAARO Cc1cccc([C@@H]2CCC[N@H+](CCC(=O)Nc3nnc(C4CC4)s3)C2)c1 ZINC000244858445 571117917 /nfs/dbraw/zinc/11/79/17/571117917.db2.gz VLDMAZWERDGURO-QGZVFWFLSA-N 1 0 370.522 3.932 50 0 FHAARO Cc1cccc([C@H]2CCC[N@H+](CCC(=O)Nc3nnc(C4CC4)s3)C2)c1 ZINC000244858444 571117955 /nfs/dbraw/zinc/11/79/55/571117955.db2.gz VLDMAZWERDGURO-KRWDZBQOSA-N 1 0 370.522 3.932 50 0 FHAARO CCC[N@H+](CCC(=O)Nc1ccc(C)c(Cl)c1)[C@@H]1CCCC[C@H]1O ZINC000244873604 571118402 /nfs/dbraw/zinc/11/84/02/571118402.db2.gz WSUUATPIDSWYAB-QZTJIDSGSA-N 1 0 352.906 3.993 50 0 FHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(F)cc1F ZINC000009750879 571118488 /nfs/dbraw/zinc/11/84/88/571118488.db2.gz XHOIZWDLAAAWAU-OAHLLOKOSA-N 1 0 351.422 3.985 50 0 FHAARO C[NH+](C)[C@@H](CNc1nc(-c2cccnc2)nc2ccccc21)c1ccco1 ZINC000006086253 571118948 /nfs/dbraw/zinc/11/89/48/571118948.db2.gz FANLNKSLVQMULC-SFHVURJKSA-N 1 0 359.433 4.000 50 0 FHAARO CC[C@@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1ccccc1Cn1cccn1 ZINC000055402603 571120587 /nfs/dbraw/zinc/12/05/87/571120587.db2.gz HBGMWCZGGFXZPO-QFIPXVFZSA-N 1 0 367.468 3.844 50 0 FHAARO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c(F)c1 ZINC000010282123 571125001 /nfs/dbraw/zinc/12/50/01/571125001.db2.gz SDXWTLYENUKYKB-UHFFFAOYSA-N 1 0 356.441 3.750 50 0 FHAARO CCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000247999094 571126941 /nfs/dbraw/zinc/12/69/41/571126941.db2.gz NFFAHQOHPZSEDU-QGZVFWFLSA-N 1 0 356.514 3.698 50 0 FHAARO Cc1ccc(Cn2nc(C[NH2+]CCCCCO)c(-c3ccccc3)n2)cc1 ZINC000248087948 571127455 /nfs/dbraw/zinc/12/74/55/571127455.db2.gz KTCMIJBTRAEFHY-UHFFFAOYSA-N 1 0 364.493 3.554 50 0 FHAARO CC(C)(CO)[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000248178428 571128387 /nfs/dbraw/zinc/12/83/87/571128387.db2.gz XEKFCLSJCIBHRY-UHFFFAOYSA-N 1 0 370.884 3.507 50 0 FHAARO O=C(NC1CC[NH+](CCCc2nc3ccccc3o2)CC1)C1CCCCC1 ZINC000058391956 571131950 /nfs/dbraw/zinc/13/19/50/571131950.db2.gz QUUXOIKCBIUDSJ-UHFFFAOYSA-N 1 0 369.509 3.921 50 0 FHAARO CC[N@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)[C@@H]1CCOC(C)(C)C1 ZINC000252484850 571132209 /nfs/dbraw/zinc/13/22/09/571132209.db2.gz GJKNZGHOPZJPGI-CQSZACIVSA-N 1 0 354.878 3.567 50 0 FHAARO CC(C)C[C@@H](C(=O)Nc1ccc2c(c1)ncn2CC[NH+](C)C)n1cccc1 ZINC000575443580 571152662 /nfs/dbraw/zinc/15/26/62/571152662.db2.gz SAYQIBJEAISKGW-FQEVSTJZSA-N 1 0 367.497 3.625 50 0 FHAARO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ncoc1-c1cccs1 ZINC000075108236 571155859 /nfs/dbraw/zinc/15/58/59/571155859.db2.gz RMUVWIAVYBVFML-UHFFFAOYSA-N 1 0 361.492 3.669 50 0 FHAARO CC[NH+](CC)CCNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 ZINC000004672332 571157519 /nfs/dbraw/zinc/15/75/19/571157519.db2.gz XOZPJGNUSMCWHZ-UHFFFAOYSA-N 1 0 367.493 3.590 50 0 FHAARO COCCn1c(-c2ccccc2)c[nH+]c1NCc1cc(OC)ccc1OC ZINC000004679216 571158778 /nfs/dbraw/zinc/15/87/78/571158778.db2.gz DLBSVQCVZZUCFL-UHFFFAOYSA-N 1 0 367.449 3.826 50 0 FHAARO COc1cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cc(OC)c1 ZINC000026312745 571160873 /nfs/dbraw/zinc/16/08/73/571160873.db2.gz ZIMCMFXIFSDIDA-NRFANRHFSA-N 1 0 357.450 3.962 50 0 FHAARO CC[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)CC[N@@H+]1C(C)C ZINC000072135200 571171318 /nfs/dbraw/zinc/17/13/18/571171318.db2.gz ZBPGHAPXOISVPP-NRFANRHFSA-N 1 0 353.510 3.965 50 0 FHAARO CN(C)C(=O)c1ccc(CN2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)o1 ZINC000072152604 571174620 /nfs/dbraw/zinc/17/46/20/571174620.db2.gz SOGWQIYAGXCNBK-FQEVSTJZSA-N 1 0 369.509 3.770 50 0 FHAARO Cc1cccc(C[NH+]2CCN(Cc3cnc(-c4cccs4)nc3)CC2)c1 ZINC000072159067 571175623 /nfs/dbraw/zinc/17/56/23/571175623.db2.gz XEJPVZVUAAMDKD-UHFFFAOYSA-N 1 0 364.518 3.831 50 0 FHAARO CCCNc1ncc(C[N@@H+]2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)cn1 ZINC000072159009 571175694 /nfs/dbraw/zinc/17/56/94/571175694.db2.gz XQHABAQJJTVNSK-KRWDZBQOSA-N 1 0 364.497 3.863 50 0 FHAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000072164429 571176251 /nfs/dbraw/zinc/17/62/51/571176251.db2.gz IYXYFPHXVIYNAH-JOCHJYFZSA-N 1 0 362.477 3.757 50 0 FHAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000072164428 571176431 /nfs/dbraw/zinc/17/64/31/571176431.db2.gz IYXYFPHXVIYNAH-QFIPXVFZSA-N 1 0 362.477 3.757 50 0 FHAARO COc1coc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)cc1=O ZINC000072168641 571176983 /nfs/dbraw/zinc/17/69/83/571176983.db2.gz KZFRVWHDIJFBPX-CQSZACIVSA-N 1 0 363.404 3.771 50 0 FHAARO O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000072167642 571177017 /nfs/dbraw/zinc/17/70/17/571177017.db2.gz IZFBJSLESQQMSK-SFHVURJKSA-N 1 0 350.437 3.832 50 0 FHAARO COc1cccc([C@@H]2CN(C(=O)CC3CCCC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072167988 571177123 /nfs/dbraw/zinc/17/71/23/571177123.db2.gz MXYHKNOQLSXVSQ-MDNUFGMLSA-N 1 0 368.521 3.664 50 0 FHAARO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4F)o3)C2)cc(=O)[nH]1 ZINC000072173937 571177773 /nfs/dbraw/zinc/17/77/73/571177773.db2.gz HIDRZTBWQVCAFY-HNNXBMFYSA-N 1 0 367.424 3.857 50 0 FHAARO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000090699909 571186588 /nfs/dbraw/zinc/18/65/88/571186588.db2.gz KPVRMXFVYCKLJF-FQEVSTJZSA-N 1 0 354.519 3.863 50 0 FHAARO C[C@@H](CCn1ccnc1-c1cc(Cl)ccc1Cl)[NH+]1CCN(C)CC1 ZINC000072426076 571194512 /nfs/dbraw/zinc/19/45/12/571194512.db2.gz UAVHHNKASIIYOE-AWEZNQCLSA-N 1 0 367.324 3.883 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000006455331 571194715 /nfs/dbraw/zinc/19/47/15/571194715.db2.gz FOXKGUAZRBDKEL-NSHGMRRFSA-N 1 0 363.542 3.718 50 0 FHAARO C[C@H](C1CCN(C(=O)c2cnc(-c3cccs3)nc2)CC1)[NH+]1CCCC1 ZINC000072433005 571196101 /nfs/dbraw/zinc/19/61/01/571196101.db2.gz QNKQXEGYAKWSFZ-OAHLLOKOSA-N 1 0 370.522 3.542 50 0 FHAARO c1cn(CCOc2ccccc2C[NH+]2CCC(c3ccncc3)CC2)cn1 ZINC000072436603 571196481 /nfs/dbraw/zinc/19/64/81/571196481.db2.gz DLPSEJIVNBPGGK-UHFFFAOYSA-N 1 0 362.477 3.737 50 0 FHAARO Cc1ncc2c(c1CNC(=O)c1ccc(-c3ccccc3)cc1)CC[NH2+]C2 ZINC000072436342 571196539 /nfs/dbraw/zinc/19/65/39/571196539.db2.gz NSDNHWRIBKDMNE-UHFFFAOYSA-N 1 0 357.457 3.633 50 0 FHAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCCO)c(F)c1 ZINC000072469427 571198165 /nfs/dbraw/zinc/19/81/65/571198165.db2.gz OMACHXYYQJUWOB-UHFFFAOYSA-N 1 0 369.440 3.501 50 0 FHAARO COCC[N@H+](C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000072474149 571198997 /nfs/dbraw/zinc/19/89/97/571198997.db2.gz NTRRQTBMHYGEFP-UHFFFAOYSA-N 1 0 351.450 3.958 50 0 FHAARO C[N@@H+]1CC[C@@H](Nc2nc(-c3ccccn3)nc3c2CCC3)[C@@H]1c1ccccc1 ZINC000089375155 571201470 /nfs/dbraw/zinc/20/14/70/571201470.db2.gz ARNPQFIPIHRIGQ-CTNGQTDRSA-N 1 0 371.488 3.885 50 0 FHAARO COc1ccc(Br)cc1C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000004094134 571204115 /nfs/dbraw/zinc/20/41/15/571204115.db2.gz MQZKFDVVHWFITQ-UHFFFAOYSA-N 1 0 366.255 3.765 50 0 FHAARO CCCCN1C[C@@]2(CCC[N@H+](Cc3cccc(OC)c3OC)C2)CCC1=O ZINC000077299300 571206793 /nfs/dbraw/zinc/20/67/93/571206793.db2.gz BGNIRXBHPYFJFT-QFIPXVFZSA-N 1 0 374.525 3.709 50 0 FHAARO CNc1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)ccn1 ZINC000077301246 571206914 /nfs/dbraw/zinc/20/69/14/571206914.db2.gz NZUNYCQQKWTBLG-IBGZPJMESA-N 1 0 352.482 3.552 50 0 FHAARO O[C@H]1COCC[N@H+](Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000077301374 571206981 /nfs/dbraw/zinc/20/69/81/571206981.db2.gz VKIKIYMLKYTJHK-MRXNPFEDSA-N 1 0 367.367 3.691 50 0 FHAARO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000077320976 571207478 /nfs/dbraw/zinc/20/74/78/571207478.db2.gz WUJLOURBLUEBLW-UHFFFAOYSA-N 1 0 368.525 3.522 50 0 FHAARO COCc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)o1 ZINC000077339347 571207831 /nfs/dbraw/zinc/20/78/31/571207831.db2.gz DQSHTMDBJOEYAF-LJQANCHMSA-N 1 0 356.466 3.855 50 0 FHAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1 ZINC000534673024 571208709 /nfs/dbraw/zinc/20/87/09/571208709.db2.gz FOQHSKAMJGNONG-KRWDZBQOSA-N 1 0 372.900 3.541 50 0 FHAARO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)CN1C1CC1 ZINC000077421459 571210973 /nfs/dbraw/zinc/21/09/73/571210973.db2.gz OAQFTTKRLLPYDY-HXUWFJFHSA-N 1 0 364.436 3.655 50 0 FHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC)c2OC)N3)C1 ZINC000006594377 571211284 /nfs/dbraw/zinc/21/12/84/571211284.db2.gz VKXXJVCPAPHWCH-KRWDZBQOSA-N 1 0 373.478 3.572 50 0 FHAARO Cc1ccc(Cc2ccccc2C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1F ZINC000077436312 571211548 /nfs/dbraw/zinc/21/15/48/571211548.db2.gz CJJAAJUWTISDAA-GHTZIAJQSA-N 1 0 352.453 3.501 50 0 FHAARO CCc1cc(C(=O)N(C)CC2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000077456269 571212234 /nfs/dbraw/zinc/21/22/34/571212234.db2.gz JANXKOPXGYLRID-UHFFFAOYSA-N 1 0 351.494 3.628 50 0 FHAARO COc1ccccc1-c1ncc(CN2CCC[N@@H+](C3CCCC3)CC2)cn1 ZINC000077458113 571212249 /nfs/dbraw/zinc/21/22/49/571212249.db2.gz ABGPFAWVFPMJRC-UHFFFAOYSA-N 1 0 366.509 3.603 50 0 FHAARO O=C1CCCN1CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000077469846 571212596 /nfs/dbraw/zinc/21/25/96/571212596.db2.gz YDZLVHFHYGPBRQ-QGZVFWFLSA-N 1 0 370.522 3.572 50 0 FHAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)c1 ZINC000077504001 571213671 /nfs/dbraw/zinc/21/36/71/571213671.db2.gz CWZLMXGFKUQHHM-AWEZNQCLSA-N 1 0 353.422 3.676 50 0 FHAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C[C@H]2[NH+](C)C)cc1 ZINC000077504712 571214096 /nfs/dbraw/zinc/21/40/96/571214096.db2.gz OTHPYOWGOVRCMS-RBBKRZOGSA-N 1 0 374.488 3.555 50 0 FHAARO Cn1c(C[NH+]2CCC(CCN3CCCC3=O)CC2)cc2cc(F)ccc21 ZINC000077537818 571215080 /nfs/dbraw/zinc/21/50/80/571215080.db2.gz COGROHYJYAMKPR-UHFFFAOYSA-N 1 0 357.473 3.542 50 0 FHAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1c(F)cccc1Cl ZINC000023128016 571217486 /nfs/dbraw/zinc/21/74/86/571217486.db2.gz RVQGWQYTCBSRQS-UHFFFAOYSA-N 1 0 350.821 3.714 50 0 FHAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1ccccc1C(F)(F)F ZINC000023128015 571217509 /nfs/dbraw/zinc/21/75/09/571217509.db2.gz VVLPKDLGHDQZAY-UHFFFAOYSA-N 1 0 366.383 3.940 50 0 FHAARO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000426383184 571217617 /nfs/dbraw/zinc/21/76/17/571217617.db2.gz WZRUJTKESRVACQ-OAQYLSRUSA-N 1 0 371.484 3.873 50 0 FHAARO C[C@@H](c1ccc(-c2c[nH]c(C(=O)N3CCOCC3)c2)cc1)[NH+]1CCCCC1 ZINC000426386824 571218077 /nfs/dbraw/zinc/21/80/77/571218077.db2.gz ABTABGPTXPNKDR-KRWDZBQOSA-N 1 0 367.493 3.701 50 0 FHAARO C[C@H](c1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1)[NH+]1CCCCC1 ZINC000426398242 571219778 /nfs/dbraw/zinc/21/97/78/571219778.db2.gz XFCQCBMVXSUXGC-MRXNPFEDSA-N 1 0 352.482 3.996 50 0 FHAARO O=C(NCC[C@@H](c1ccco1)c1ccccc1)N1CC([NH+]2CCCCC2)C1 ZINC000426424370 571223938 /nfs/dbraw/zinc/22/39/38/571223938.db2.gz PHGGLXOELFZLBX-HXUWFJFHSA-N 1 0 367.493 3.681 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2onc3c2CCCC3)cc1 ZINC000426443319 571225770 /nfs/dbraw/zinc/22/57/70/571225770.db2.gz MZLCTAVRJZSMCO-HXUWFJFHSA-N 1 0 367.493 3.982 50 0 FHAARO COc1ccc(C(C)(C)NC(=O)N(C)Cc2ccccc2C[NH+](C)C)cc1 ZINC000426510290 571229204 /nfs/dbraw/zinc/22/92/04/571229204.db2.gz YGFKFOPGAQNMDU-UHFFFAOYSA-N 1 0 369.509 3.834 50 0 FHAARO [NH3+][C@H]1CCCCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)C1 ZINC000082139010 571229244 /nfs/dbraw/zinc/22/92/44/571229244.db2.gz VQQLJPHFGMXVCK-JTQLQIEISA-N 1 0 354.294 3.678 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(OC(C)C)c3)cc2)CC1 ZINC000004738624 571229746 /nfs/dbraw/zinc/22/97/46/571229746.db2.gz YTHQHKYJEIVSST-UHFFFAOYSA-N 1 0 367.493 3.868 50 0 FHAARO Cc1cc(C)n(CCN(C)C(=O)c2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000426535479 571230809 /nfs/dbraw/zinc/23/08/09/571230809.db2.gz LXZUKFLQKFLABK-UHFFFAOYSA-N 1 0 368.525 3.648 50 0 FHAARO CCOc1ccc(-c2cccc(C(=O)N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000426584596 571232389 /nfs/dbraw/zinc/23/23/89/571232389.db2.gz DKJVBLWLUDCNGB-UHFFFAOYSA-N 1 0 364.489 3.920 50 0 FHAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(-c2cc(F)c(F)cc2O)c1 ZINC000426613697 571233280 /nfs/dbraw/zinc/23/32/80/571233280.db2.gz YAYZAJZVICXZFT-INIZCTEOSA-N 1 0 374.431 3.894 50 0 FHAARO Cc1ccc(C(=O)c2ccccc2C[NH+]2CCC3(CC2)OCCO3)c(C)c1 ZINC000085651569 571233655 /nfs/dbraw/zinc/23/36/55/571233655.db2.gz KEYSZDWJDJHAHW-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO COc1ccc(F)cc1-c1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000426633737 571234004 /nfs/dbraw/zinc/23/40/04/571234004.db2.gz CMYWZHOMWMDETG-UHFFFAOYSA-N 1 0 358.457 3.819 50 0 FHAARO CN(C)c1ccc(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2)cc1 ZINC000426657079 571234196 /nfs/dbraw/zinc/23/41/96/571234196.db2.gz XKCBGNWBNRVMEQ-FCHUYYIVSA-N 1 0 363.505 3.728 50 0 FHAARO CC(=O)c1ccccc1-c1cccc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000426658496 571234390 /nfs/dbraw/zinc/23/43/90/571234390.db2.gz UZPAHTSDSOYGSI-UHFFFAOYSA-N 1 0 350.462 3.772 50 0 FHAARO CC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000426716288 571236562 /nfs/dbraw/zinc/23/65/62/571236562.db2.gz YVCWHYVRRHKVIV-IBGZPJMESA-N 1 0 366.436 3.616 50 0 FHAARO Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000091409921 571239285 /nfs/dbraw/zinc/23/92/85/571239285.db2.gz ZNFRAAVQZGPRJR-LJQANCHMSA-N 1 0 366.509 3.568 50 0 FHAARO Fc1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)ccc1Cl ZINC000091475107 571240072 /nfs/dbraw/zinc/24/00/72/571240072.db2.gz LQCDLSMPRJHIBH-ZWKOTPCHSA-N 1 0 359.876 3.971 50 0 FHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(Br)o2)C1 ZINC000064725952 571240106 /nfs/dbraw/zinc/24/01/06/571240106.db2.gz KGRQDDYCSAFSPB-XQQFMLRXSA-N 1 0 355.276 3.520 50 0 FHAARO COc1ccc(F)c(F)c1C(=O)N1CCCC[C@H]1CCn1ccnc1C ZINC000091526624 571240280 /nfs/dbraw/zinc/24/02/80/571240280.db2.gz AGKJFEQQTRRQDE-AWEZNQCLSA-N 1 0 363.408 3.563 50 0 FHAARO c1cnn(Cc2nnc(C3CC[NH+](C4CCCCCC4)CC3)n2C2CC2)c1 ZINC000091595857 571241055 /nfs/dbraw/zinc/24/10/55/571241055.db2.gz OCMONGJNIXKMKS-UHFFFAOYSA-N 1 0 368.529 3.760 50 0 FHAARO COc1ccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccccc2)cc1OC ZINC000036095605 571241081 /nfs/dbraw/zinc/24/10/81/571241081.db2.gz GFCNDHAPIZSETO-IBGZPJMESA-N 1 0 373.493 3.602 50 0 FHAARO Cn1c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cc2ccccc21 ZINC000091617015 571241292 /nfs/dbraw/zinc/24/12/92/571241292.db2.gz IFAJVDXOEYMSRX-PZJWPPBQSA-N 1 0 360.505 3.670 50 0 FHAARO c1csc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCC3)no2)c1 ZINC000064761105 571241341 /nfs/dbraw/zinc/24/13/41/571241341.db2.gz PPOBFOOKRYRRGX-UHFFFAOYSA-N 1 0 365.462 3.911 50 0 FHAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C)cc2C)C2CC2)cc1 ZINC000036098962 571241379 /nfs/dbraw/zinc/24/13/79/571241379.db2.gz OCLIQBGMQHKJIJ-FQEVSTJZSA-N 1 0 355.478 3.716 50 0 FHAARO Cc1cccc(C[N@H+](C[C@H](O)COCc2ccccc2)C[C@H]2CCCO2)c1 ZINC000036100620 571241617 /nfs/dbraw/zinc/24/16/17/571241617.db2.gz KTLXZYAIABAAHU-XZOQPEGZSA-N 1 0 369.505 3.554 50 0 FHAARO COc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036102801 571241968 /nfs/dbraw/zinc/24/19/68/571241968.db2.gz MEAYWFXQNUWTAZ-FQEVSTJZSA-N 1 0 357.494 3.873 50 0 FHAARO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036102925 571241991 /nfs/dbraw/zinc/24/19/91/571241991.db2.gz GRMRFPKZGMBRKA-HXUWFJFHSA-N 1 0 361.457 3.622 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccncc3)CC2)C1 ZINC000091663835 571242049 /nfs/dbraw/zinc/24/20/49/571242049.db2.gz YVGOEQGXYAKAOT-NRFANRHFSA-N 1 0 363.505 3.813 50 0 FHAARO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(O)c3ncccc13)CC2 ZINC000007973415 571243686 /nfs/dbraw/zinc/24/36/86/571243686.db2.gz HFZFGEOMRGHBSQ-UHFFFAOYSA-N 1 0 350.418 3.516 50 0 FHAARO O=C(C[NH+]1CCCC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000036341267 571248350 /nfs/dbraw/zinc/24/83/50/571248350.db2.gz GNGYEICBTLANOE-FQEVSTJZSA-N 1 0 369.415 3.738 50 0 FHAARO COc1ccc([C@@H](CNc2ncnc3sccc32)[NH+]2CCCC2)cc1 ZINC000006941137 571255358 /nfs/dbraw/zinc/25/53/58/571255358.db2.gz GHBHUIZSQJQIRS-QGZVFWFLSA-N 1 0 354.479 3.949 50 0 FHAARO CCc1ccc(-c2cc(C(F)(F)F)nc(N3CC[NH+](CC)CC3)n2)cc1 ZINC000036618556 571257995 /nfs/dbraw/zinc/25/79/95/571257995.db2.gz LNLODHGMPRMFPL-UHFFFAOYSA-N 1 0 364.415 3.867 50 0 FHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000036875692 571263607 /nfs/dbraw/zinc/26/36/07/571263607.db2.gz RMTBKHOIAQTAFM-CYBMUJFWSA-N 1 0 365.296 3.515 50 0 FHAARO CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000007266929 571263628 /nfs/dbraw/zinc/26/36/28/571263628.db2.gz WGFZEBCCQNOPOO-ZDUSSCGKSA-N 1 0 358.463 3.596 50 0 FHAARO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc(Cl)cc1 ZINC000007444493 571265621 /nfs/dbraw/zinc/26/56/21/571265621.db2.gz LNRMDHWJFATVBT-AWEZNQCLSA-N 1 0 371.868 3.536 50 0 FHAARO CC(C)[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000170592265 571266200 /nfs/dbraw/zinc/26/62/00/571266200.db2.gz CYYSYESDHIKTRQ-RLLQIKCJSA-N 1 0 360.542 3.995 50 0 FHAARO COc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000007492034 571266529 /nfs/dbraw/zinc/26/65/29/571266529.db2.gz KWVCTQZEBXQJSB-UHFFFAOYSA-N 1 0 358.869 3.743 50 0 FHAARO C[N@H+](Cc1ccc(Br)cc1F)[C@](C)(CO)c1ccccc1 ZINC000170603273 571267095 /nfs/dbraw/zinc/26/70/95/571267095.db2.gz NYJDAKYUGBPFBB-QGZVFWFLSA-N 1 0 352.247 3.928 50 0 FHAARO C[NH+](C)C[C@@H](C(=O)NCc1ccccc1OC1CCC1)c1ccccc1 ZINC000170614637 571268139 /nfs/dbraw/zinc/26/81/39/571268139.db2.gz KJQQNIRDDGIISV-HXUWFJFHSA-N 1 0 352.478 3.580 50 0 FHAARO C[NH+](C)C[C@H](C(=O)NCc1ccccc1OC1CCC1)c1ccccc1 ZINC000170614636 571268166 /nfs/dbraw/zinc/26/81/66/571268166.db2.gz KJQQNIRDDGIISV-FQEVSTJZSA-N 1 0 352.478 3.580 50 0 FHAARO Clc1cc(Cl)c2c(c1)C=C(C[NH2+]CCCOC[C@@H]1CCCO1)CO2 ZINC000089762093 571272826 /nfs/dbraw/zinc/27/28/26/571272826.db2.gz ILHYXNNSPRACLS-INIZCTEOSA-N 1 0 372.292 3.945 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cc(F)cc1F)c1ccsc1 ZINC000076022567 571273885 /nfs/dbraw/zinc/27/38/85/571273885.db2.gz NPLZGUPCXVGEOY-OAHLLOKOSA-N 1 0 356.413 3.978 50 0 FHAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000237473090 571277266 /nfs/dbraw/zinc/27/72/66/571277266.db2.gz DOVVTXASCQVLFW-PWSUYJOCSA-N 1 0 371.428 3.586 50 0 FHAARO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000252492662 571280997 /nfs/dbraw/zinc/28/09/97/571280997.db2.gz MRUPDQDCEIQYJF-JOCHJYFZSA-N 1 0 370.493 3.583 50 0 FHAARO FC(F)(F)c1nc2nc[nH]c2c(NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000252508679 571281465 /nfs/dbraw/zinc/28/14/65/571281465.db2.gz XQUIKRJQBCLDFX-UHFFFAOYSA-N 1 0 368.407 3.581 50 0 FHAARO O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252511015 571281572 /nfs/dbraw/zinc/28/15/72/571281572.db2.gz CXXATKSZDPCJHS-CABCVRRESA-N 1 0 373.884 3.671 50 0 FHAARO CC(C)Oc1ccc(CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000252518108 571282090 /nfs/dbraw/zinc/28/20/90/571282090.db2.gz AALWIBVCVDKFBI-FPOVZHCZSA-N 1 0 358.526 3.787 50 0 FHAARO CC[C@H](C(=O)NCC1CC[NH+](C2CCSCC2)CC1)c1ccccc1 ZINC000252572607 571283717 /nfs/dbraw/zinc/28/37/17/571283717.db2.gz ZMOFMUCVSCEMKM-FQEVSTJZSA-N 1 0 360.567 3.904 50 0 FHAARO Cc1cc2c(cc(C(=O)NCC[NH+](C)C)n2Cc2cccc(C)c2)s1 ZINC000037541375 571287664 /nfs/dbraw/zinc/28/76/64/571287664.db2.gz OSCIWNYZUVGKQA-UHFFFAOYSA-N 1 0 355.507 3.659 50 0 FHAARO O=C(NCC[NH+]1CCCC1)c1cc2sccc2n1Cc1ccccc1 ZINC000037588037 571288328 /nfs/dbraw/zinc/28/83/28/571288328.db2.gz VDQPAGLAHBNRHA-UHFFFAOYSA-N 1 0 353.491 3.577 50 0 FHAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccc(C)cc1 ZINC000007902332 571292755 /nfs/dbraw/zinc/29/27/55/571292755.db2.gz VEGWLJVOPYLYKU-UHFFFAOYSA-N 1 0 362.477 3.868 50 0 FHAARO O=C(NCC1(c2ccc(F)cc2)CCCC1)N1CC([NH+]2CCCCC2)C1 ZINC000584888880 571314266 /nfs/dbraw/zinc/31/42/66/571314266.db2.gz BYYVYHXRHLVDEC-UHFFFAOYSA-N 1 0 359.489 3.517 50 0 FHAARO C[N@@H+]1CC[C@@H](Cn2cnc3scc(-c4ccccc4Cl)c3c2=O)C1 ZINC000584893571 571314983 /nfs/dbraw/zinc/31/49/83/571314983.db2.gz CZVGZBPKFJVKTB-GFCCVEGCSA-N 1 0 359.882 3.730 50 0 FHAARO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)CC1=Cc2ccccc2OC1 ZINC000093083911 571325990 /nfs/dbraw/zinc/32/59/90/571325990.db2.gz NULZKFYGYWVQLA-UHFFFAOYSA-N 1 0 350.462 3.686 50 0 FHAARO O=C(c1cccc(Br)c1)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000079096493 571326913 /nfs/dbraw/zinc/32/69/13/571326913.db2.gz GPMOXCYJWGUWAA-SFHVURJKSA-N 1 0 373.294 3.844 50 0 FHAARO O=C(NCc1ccccc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000390828182 571328264 /nfs/dbraw/zinc/32/82/64/571328264.db2.gz PHPWGEMSZMRUSS-LNRXMEIDSA-N 1 0 365.521 3.791 50 0 FHAARO O=C(c1cccc(C(F)(F)F)c1)N1CC(N2CCc3ccccc3C2)C1 ZINC000390828783 571328350 /nfs/dbraw/zinc/32/83/50/571328350.db2.gz UHNBDODAZVSNGJ-UHFFFAOYSA-N 1 0 360.379 3.588 50 0 FHAARO COc1ccc(CC[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)cc1OC ZINC000095407042 571329333 /nfs/dbraw/zinc/32/93/33/571329333.db2.gz SAWRYBBRTMXXEP-XLIONFOSSA-N 1 0 354.494 3.671 50 0 FHAARO CC(C)[N@H+](C)C1CCN(C(=O)c2cnc(Cc3ccccc3)s2)CC1 ZINC000095410139 571329373 /nfs/dbraw/zinc/32/93/73/571329373.db2.gz VBSQQSKHNVIJOH-UHFFFAOYSA-N 1 0 357.523 3.679 50 0 FHAARO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H]4CCCN(C(C)C)C4=O)CC3)c2c1 ZINC000095407280 571329414 /nfs/dbraw/zinc/32/94/14/571329414.db2.gz SXRZZYYDSKHJHD-OAQYLSRUSA-N 1 0 367.493 3.665 50 0 FHAARO CN(c1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1F)C1CCCCC1 ZINC000095408297 571329420 /nfs/dbraw/zinc/32/94/20/571329420.db2.gz TXUBZJCXQQOEGX-UHFFFAOYSA-N 1 0 362.493 3.764 50 0 FHAARO Cc1nc(CC[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)cs1 ZINC000095466845 571330517 /nfs/dbraw/zinc/33/05/17/571330517.db2.gz XHYFVWTWLJOQTR-CZUORRHYSA-N 1 0 353.532 3.762 50 0 FHAARO O=C1C2=C(CCCC2)[C@H]([NH2+][C@@H]2CCCc3ccccc32)N1C[C@@H]1CCCO1 ZINC000095483076 571331148 /nfs/dbraw/zinc/33/11/48/571331148.db2.gz PTPLPMIEMQNNNC-MTNREXPMSA-N 1 0 366.505 3.872 50 0 FHAARO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000095964901 571333096 /nfs/dbraw/zinc/33/30/96/571333096.db2.gz JZPWWFKOFOUMQN-XXBNENTESA-N 1 0 360.505 3.542 50 0 FHAARO CN(C)[C@@H](C[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000095973661 571333273 /nfs/dbraw/zinc/33/32/73/571333273.db2.gz LAWVWEDFYSLMIW-UXHICEINSA-N 1 0 368.525 3.839 50 0 FHAARO C[N@@H+]1CCCC12CCN(C(=O)c1ccccc1C(=O)c1ccccc1)CC2 ZINC000095993430 571333606 /nfs/dbraw/zinc/33/36/06/571333606.db2.gz DFYKGCDQEIQNAF-UHFFFAOYSA-N 1 0 362.473 3.618 50 0 FHAARO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1ccccc1SC ZINC000096026639 571334117 /nfs/dbraw/zinc/33/41/17/571334117.db2.gz BYNDSECCYXOACX-NRFANRHFSA-N 1 0 373.518 3.529 50 0 FHAARO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1cccc2ccccc21 ZINC000225569158 571337219 /nfs/dbraw/zinc/33/72/19/571337219.db2.gz JIWXJCMODJLBMH-SFHVURJKSA-N 1 0 354.519 3.787 50 0 FHAARO O=C(Cc1ccccc1Cl)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225684888 571337827 /nfs/dbraw/zinc/33/78/27/571337827.db2.gz KUTASHGZNOVEIZ-LJQANCHMSA-N 1 0 354.881 3.542 50 0 FHAARO Cc1ccc(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)s1 ZINC000028305494 571339009 /nfs/dbraw/zinc/33/90/09/571339009.db2.gz WYXPXGZDWVUWEP-UHFFFAOYSA-N 1 0 368.506 3.566 50 0 FHAARO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1OC(C)C ZINC000002633047 571339652 /nfs/dbraw/zinc/33/96/52/571339652.db2.gz VXDQRCXOBQHSED-GOSISDBHSA-N 1 0 356.466 3.515 50 0 FHAARO CC[NH+]1CCC(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000029606960 571342708 /nfs/dbraw/zinc/34/27/08/571342708.db2.gz JXEGDEJTUGACJW-UHFFFAOYSA-N 1 0 365.688 3.626 50 0 FHAARO CC(C)OCCC[NH+](C[C@@H](O)c1ccccc1)C[C@@H](O)c1ccccc1 ZINC000003282805 571346642 /nfs/dbraw/zinc/34/66/42/571346642.db2.gz KBGOHFFRCGJDDE-FGZHOGPDSA-N 1 0 357.494 3.571 50 0 FHAARO CC[NH+]1CCN(c2ccc(N[C@H](C)c3nc(C(C)(C)C)no3)c(C)c2)CC1 ZINC000058173339 571349064 /nfs/dbraw/zinc/34/90/64/571349064.db2.gz SYKLLNRXCSGWHT-MRXNPFEDSA-N 1 0 371.529 3.991 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2cccc(F)c2)[NH+]2CCCCC2)cc1 ZINC000003402865 571349084 /nfs/dbraw/zinc/34/90/84/571349084.db2.gz JWBLIAMYGCSCBI-FQEVSTJZSA-N 1 0 356.441 3.791 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000003419922 571349373 /nfs/dbraw/zinc/34/93/73/571349373.db2.gz IDHDXRSZKFTLQW-QGZVFWFLSA-N 1 0 350.384 3.667 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000003437591 571349756 /nfs/dbraw/zinc/34/97/56/571349756.db2.gz ZMHWYGWVWWUMJD-QGZVFWFLSA-N 1 0 351.277 3.955 50 0 FHAARO COc1ccccc1[C@H](CNc1ncnc2sc3c(c21)CCC3)[NH+](C)C ZINC000003456015 571350015 /nfs/dbraw/zinc/35/00/15/571350015.db2.gz RWGDKHFSBBOWID-HNNXBMFYSA-N 1 0 368.506 3.903 50 0 FHAARO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-c2cc[nH]n2)cc1 ZINC000670459843 571356322 /nfs/dbraw/zinc/35/63/22/571356322.db2.gz XBDUZCUIJIXOCP-QGZVFWFLSA-N 1 0 366.490 3.533 50 0 FHAARO CC(=O)CCc1c(C)nc2ccc(Br)cc2c1SC(N)=[NH2+] ZINC000004310920 571357800 /nfs/dbraw/zinc/35/78/00/571357800.db2.gz CSKBVYJHFCCHII-UHFFFAOYSA-N 1 0 366.284 3.813 50 0 FHAARO C[C@H](c1ccc(C(=O)NCc2[nH]nc3c2CCCCC3)o1)[NH+]1CCCCC1 ZINC000670467534 571358989 /nfs/dbraw/zinc/35/89/89/571358989.db2.gz BOQLVIOKAWZTHT-OAHLLOKOSA-N 1 0 370.497 3.749 50 0 FHAARO COCc1cc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)ccc1OC ZINC000022852899 934995876 /nfs/dbraw/zinc/99/58/76/934995876.db2.gz JQJVJTOIBSYOBB-QFIPXVFZSA-N 1 0 368.521 3.938 50 0 FHAARO Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)CC1CC[NH+](C)CC1 ZINC000291493986 935053710 /nfs/dbraw/zinc/05/37/10/935053710.db2.gz LWUIQPLCYYITNV-HXUWFJFHSA-N 1 0 366.509 3.788 50 0 FHAARO c1cnn(-c2ccc(N3CCC([N@H+](Cc4cccnc4)C4CC4)CC3)cc2)c1 ZINC000023251649 939895064 /nfs/dbraw/zinc/89/50/64/939895064.db2.gz GMRHGMMELYTYNN-UHFFFAOYSA-N 1 0 373.504 3.901 50 0 FHAARO Cc1ccc([C@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)C2)c(C)c1 ZINC000333288854 945318950 /nfs/dbraw/zinc/31/89/50/945318950.db2.gz IZEAIADORFZKPZ-WMZOPIPTSA-N 1 0 364.493 3.536 50 0 FHAARO Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000581806324 940613922 /nfs/dbraw/zinc/61/39/22/940613922.db2.gz OROLRJPEOZMHHT-LJQANCHMSA-N 1 0 374.529 3.765 50 0 FHAARO COc1ccc(C(=O)N2CCC(n3c(C)c[nH+]c3C3CC3)CC2)cc1F ZINC000581808483 940616801 /nfs/dbraw/zinc/61/68/01/940616801.db2.gz AFNCJRZBWUZSLM-UHFFFAOYSA-N 1 0 357.429 3.694 50 0 FHAARO Cc1ncsc1C[NH+]1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C ZINC000257184620 942583215 /nfs/dbraw/zinc/58/32/15/942583215.db2.gz ISZWXYWJEIKFIY-UHFFFAOYSA-N 1 0 366.534 3.912 50 0 FHAARO CN(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccccc1Cl ZINC000187095196 943430309 /nfs/dbraw/zinc/43/03/09/943430309.db2.gz PBFKNUOCTYGXHI-HXUWFJFHSA-N 1 0 371.912 3.642 50 0 FHAARO CC(C)CN1CCc2nc[nH]c2[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000675012732 943611641 /nfs/dbraw/zinc/61/16/41/943611641.db2.gz QFHTXYVVNUEKFJ-QFIPXVFZSA-N 1 0 352.526 3.877 50 0 FHAARO Fc1cnccc1C[N@@H+]1CCC[C@@H]1CCc1noc(-c2ccccc2)n1 ZINC000675019204 943626866 /nfs/dbraw/zinc/62/68/66/943626866.db2.gz CUICOTJHYRHGNS-QGZVFWFLSA-N 1 0 352.413 3.868 50 0 FHAARO COc1ccc(C[NH+]2CCC(CCc3noc(C4CC4)n3)CC2)c(OC)c1 ZINC000675018794 943634094 /nfs/dbraw/zinc/63/40/94/943634094.db2.gz DAKABVISWRQQIB-UHFFFAOYSA-N 1 0 371.481 3.809 50 0 FHAARO C[N@H+](CCC[C@@H]1CCCO1)Cc1ccccc1-c1nc(C2CC2)cc(=O)[nH]1 ZINC000023581575 943948758 /nfs/dbraw/zinc/94/87/58/943948758.db2.gz QQHGTSVBIGTFNP-GOSISDBHSA-N 1 0 367.493 3.705 50 0 FHAARO CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000297246123 944329144 /nfs/dbraw/zinc/32/91/44/944329144.db2.gz WVVRVJSTCUNQTB-HXUWFJFHSA-N 1 0 371.485 3.674 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2cc(F)ccc2C(C)=O)c1 ZINC000426506636 945016929 /nfs/dbraw/zinc/01/69/29/945016929.db2.gz LDFJFWXJYLASDZ-LJQANCHMSA-N 1 0 368.452 3.909 50 0 FHAARO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000047206753 945017828 /nfs/dbraw/zinc/01/78/28/945017828.db2.gz NSVKBNHXOLCSKB-FQEVSTJZSA-N 1 0 368.477 3.661 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000045462702 946050341 /nfs/dbraw/zinc/05/03/41/946050341.db2.gz SERVXQDMCOJYGG-OAHLLOKOSA-N 1 0 351.922 3.691 50 0 FHAARO O=C(Nc1nc(-c2c(F)cccc2F)cs1)C1CC[NH+](C2CC2)CC1 ZINC000195350315 947664048 /nfs/dbraw/zinc/66/40/48/947664048.db2.gz CGXXMFIEWQNQJM-UHFFFAOYSA-N 1 0 363.433 3.901 50 0 FHAARO CCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000888088957 948010159 /nfs/dbraw/zinc/01/01/59/948010159.db2.gz ZPKLFHBHWFCNOP-MAUKXSAKSA-N 1 0 372.538 3.865 50 0 FHAARO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2c(F)cc(C)cc2Cl)C1 ZINC000888100360 948439846 /nfs/dbraw/zinc/43/98/46/948439846.db2.gz DHEKVWWCGVYJRG-VBNZEHGJSA-N 1 0 369.868 3.551 50 0 FHAARO CN(C)c1cccc(-c2cccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000299776906 529786697 /nfs/dbraw/zinc/78/66/97/529786697.db2.gz FELQUWZUEDVJJJ-QFIPXVFZSA-N 1 0 363.505 3.730 50 0 FHAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1 ZINC000299740416 530004878 /nfs/dbraw/zinc/00/48/78/530004878.db2.gz ZNYWRBHAQCQTTN-CYBMUJFWSA-N 1 0 362.832 3.953 50 0 FHAARO CCOc1cc([C@@H]2[NH2+]CCc3cc(OCC)c(OCC)cc32)ccc1O ZINC000000718277 219316551 /nfs/dbraw/zinc/31/65/51/219316551.db2.gz BOYDCQRQYBZISA-NRFANRHFSA-N 1 0 357.450 3.823 50 0 biogenic FHAARO CCOc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1OC ZINC000000819323 219325606 /nfs/dbraw/zinc/32/56/06/219325606.db2.gz KUYMBYOLFFVFLE-QGZVFWFLSA-N 1 0 374.525 3.564 50 0 FHAARO CC(C)COc1ccc(C(=O)O[C@@H]2CC(C)(C)OC[C@H]2C[NH+](C)C)cc1 ZINC000000826070 219326636 /nfs/dbraw/zinc/32/66/36/219326636.db2.gz SSALKHAQQLSWJX-IEBWSBKVSA-N 1 0 363.498 3.624 50 0 FHAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH2+]Cc2ccccc2)C(=O)CCC1 ZINC000000795439 219322915 /nfs/dbraw/zinc/32/29/15/219322915.db2.gz FOFXUKCWADGUFY-SFHVURJKSA-N 1 0 362.473 3.619 50 0 FHAARO COCC[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000002339767 219438310 /nfs/dbraw/zinc/43/83/10/219438310.db2.gz DSIQFIHYYDCOLI-CQSZACIVSA-N 1 0 367.276 3.698 50 0 FHAARO CC[C@H](CO)[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000248164372 222964730 /nfs/dbraw/zinc/96/47/30/222964730.db2.gz NIWHYTPIULMDGP-QGZVFWFLSA-N 1 0 370.884 3.507 50 0 FHAARO CSc1ccccc1C(=O)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000252536600 222979154 /nfs/dbraw/zinc/97/91/54/222979154.db2.gz IYDFCIVCFUDWBB-UHFFFAOYSA-N 1 0 364.580 3.746 50 0 FHAARO COc1ccc([C@@H]2[C@@H](C[NH+]3CCCCC3)C(=O)N2c2ccccc2)cc1 ZINC000005527083 219686714 /nfs/dbraw/zinc/68/67/14/219686714.db2.gz YOZCZMWRFAHLNU-NHCUHLMSSA-N 1 0 350.462 3.885 50 0 FHAARO Cc1cc(C)c(CNC(=O)c2cccc(-c3ccc(C[NH+](C)C)cn3)c2)cn1 ZINC000299760419 223083716 /nfs/dbraw/zinc/08/37/16/223083716.db2.gz GULTYDRFYLBCBV-UHFFFAOYSA-N 1 0 374.488 3.752 50 0 FHAARO COc1ccc(F)cc1-c1cccc(C(=O)NCC[C@@H]2CCC[N@@H+]2C)c1 ZINC000299782830 223094384 /nfs/dbraw/zinc/09/43/84/223094384.db2.gz GEMISUISFCROJH-SFHVURJKSA-N 1 0 356.441 3.715 50 0 FHAARO C[C@@H](C(=O)NCc1cc(-c2cccc(Cl)c2)no1)[NH+]1CCCCCC1 ZINC000299781460 223094753 /nfs/dbraw/zinc/09/47/53/223094753.db2.gz DPOBZZPZQWMRKR-AWEZNQCLSA-N 1 0 361.873 3.876 50 0 FHAARO Fc1ccccc1OC1CN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000299785857 223096421 /nfs/dbraw/zinc/09/64/21/223096421.db2.gz SBAZFJQUMURECK-IBGZPJMESA-N 1 0 354.469 3.801 50 0 FHAARO Cc1cnn(CCc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)c1 ZINC000299792535 223099129 /nfs/dbraw/zinc/09/91/29/223099129.db2.gz GBQYVSXZHBBKHY-OTWHNJEPSA-N 1 0 363.465 3.510 50 0 FHAARO Cc1ccc(-c2cncnc2[C@@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000299791919 223099672 /nfs/dbraw/zinc/09/96/72/223099672.db2.gz DBCPLBROYVGIGH-GOSISDBHSA-N 1 0 363.461 3.917 50 0 FHAARO O=C(CCc1cccc(F)c1)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000299792881 223100154 /nfs/dbraw/zinc/10/01/54/223100154.db2.gz GCRAIQRJPJFYDZ-FQEVSTJZSA-N 1 0 358.432 3.851 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)NCCc2ccc(F)cc2)cc1 ZINC000009875280 219886953 /nfs/dbraw/zinc/88/69/53/219886953.db2.gz CEHNSIGKZHTMTQ-UHFFFAOYSA-N 1 0 357.473 3.709 50 0 FHAARO COc1ccc2cc(CNC(=O)NCCC[NH+]3CCC(C)CC3)ccc2c1 ZINC000010495741 219903282 /nfs/dbraw/zinc/90/32/82/219903282.db2.gz ZSIQYQFNDWVSNH-UHFFFAOYSA-N 1 0 369.509 3.770 50 0 FHAARO O=C(CCC1CC[NH+](Cc2cccc(Cl)c2)CC1)NC[C@H]1CCCO1 ZINC000012202609 219967366 /nfs/dbraw/zinc/96/73/66/219967366.db2.gz XHUWWOXHJKAWIM-LJQANCHMSA-N 1 0 364.917 3.627 50 0 FHAARO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1OC ZINC000012570748 220008390 /nfs/dbraw/zinc/00/83/90/220008390.db2.gz NNUZPPALMZLMAV-LJQANCHMSA-N 1 0 365.473 3.766 50 0 FHAARO COc1ccccc1C(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000012575489 220009213 /nfs/dbraw/zinc/00/92/13/220009213.db2.gz MKGXWVGLIXIVCT-HXUWFJFHSA-N 1 0 366.505 3.722 50 0 FHAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccoc4)C3)C2)c1OC ZINC000012709522 220019075 /nfs/dbraw/zinc/01/90/75/220019075.db2.gz CICXMCWOUWDGDA-JOCHJYFZSA-N 1 0 370.493 3.785 50 0 FHAARO CCn1cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3)c(C)n1 ZINC000012708614 220020265 /nfs/dbraw/zinc/02/02/65/220020265.db2.gz WHAVWWFEBFCHHI-JOCHJYFZSA-N 1 0 370.516 3.839 50 0 FHAARO C/C=C/c1ccc(OCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(OC)c1 ZINC000012777743 220028065 /nfs/dbraw/zinc/02/80/65/220028065.db2.gz VXSLJWOGVBIMHH-SQUITACLSA-N 1 0 368.477 3.526 50 0 FHAARO COc1ccc2c(C[N@H+](C)CCOc3ccccc3C)cc(=O)oc2c1 ZINC000012774411 220028121 /nfs/dbraw/zinc/02/81/21/220028121.db2.gz OLLQLXACIOCZLC-UHFFFAOYSA-N 1 0 353.418 3.621 50 0 FHAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2ccc(C)o2)CC1 ZINC000012751967 220024640 /nfs/dbraw/zinc/02/46/40/220024640.db2.gz JHUISIXHUSVEEQ-UHFFFAOYSA-N 1 0 371.477 3.985 50 0 FHAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cccc(F)c1 ZINC000012873507 220037740 /nfs/dbraw/zinc/03/77/40/220037740.db2.gz FPNMHCIXFSDHNK-UHFFFAOYSA-N 1 0 370.424 3.938 50 0 FHAARO COc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012886865 220038528 /nfs/dbraw/zinc/03/85/28/220038528.db2.gz KGKOEUJACMCLSY-QGZVFWFLSA-N 1 0 362.473 3.985 50 0 FHAARO CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C[NH+]1CCC(C)CC1 ZINC000012910167 220041947 /nfs/dbraw/zinc/04/19/47/220041947.db2.gz KQSPNAOXSGHFOE-GOSISDBHSA-N 1 0 373.541 3.601 50 0 FHAARO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000012908994 220041637 /nfs/dbraw/zinc/04/16/37/220041637.db2.gz DJXXEASBIQVNGY-INIZCTEOSA-N 1 0 354.450 3.769 50 0 FHAARO COc1ccc2c(C[N@H+](C)CCOc3ccccc3Cl)cc(=O)oc2c1 ZINC000012911027 220042262 /nfs/dbraw/zinc/04/22/62/220042262.db2.gz RECHETYLHRRDJH-UHFFFAOYSA-N 1 0 373.836 3.966 50 0 FHAARO Cc1nc2ccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2nc1C ZINC000012939705 220044989 /nfs/dbraw/zinc/04/49/89/220044989.db2.gz DRXPKEMYOADDGG-UHFFFAOYSA-N 1 0 374.488 3.772 50 0 FHAARO CC1CC[NH+](CCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)CC1 ZINC000012986175 220049886 /nfs/dbraw/zinc/04/98/86/220049886.db2.gz AFMDMBOGAPYDSN-UHFFFAOYSA-N 1 0 362.473 3.750 50 0 FHAARO Cc1cc2oc(=O)cc(CSC3=[NH+]CC(C)(C)CN3)c2cc1Cl ZINC000013041429 220056733 /nfs/dbraw/zinc/05/67/33/220056733.db2.gz LCKPKILLGXLCJC-UHFFFAOYSA-N 1 0 350.871 3.973 50 0 FHAARO COc1ccc(OC)c(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000013328359 220063536 /nfs/dbraw/zinc/06/35/36/220063536.db2.gz UWBYMFZSXDTLLY-UHFFFAOYSA-N 1 0 355.438 3.944 50 0 FHAARO CCCC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013731352 220091176 /nfs/dbraw/zinc/09/11/76/220091176.db2.gz LVSBFWIUHDCNOY-UHFFFAOYSA-N 1 0 356.466 3.911 50 0 FHAARO CCOc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1OCC ZINC000013745499 220091949 /nfs/dbraw/zinc/09/19/49/220091949.db2.gz OZRIMWRWQJMRPG-UHFFFAOYSA-N 1 0 360.498 3.575 50 0 FHAARO O=C(CCc1nc2ccccc2s1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014085472 220105137 /nfs/dbraw/zinc/10/51/37/220105137.db2.gz RYCAPUIZQNMDFN-KRWDZBQOSA-N 1 0 365.502 3.620 50 0 FHAARO COc1ccc(OCCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000014121297 220107992 /nfs/dbraw/zinc/10/79/92/220107992.db2.gz SVOZPFZQFSQSGQ-UHFFFAOYSA-N 1 0 374.525 3.769 50 0 FHAARO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1cccs1 ZINC000014169115 220112240 /nfs/dbraw/zinc/11/22/40/220112240.db2.gz FQYPBXHVPSBASF-LLVKDONJSA-N 1 0 374.325 3.635 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)CC1 ZINC000014185364 220114542 /nfs/dbraw/zinc/11/45/42/220114542.db2.gz QJWZEAFOATXEON-BQYQJAHWSA-N 1 0 373.497 3.951 50 0 FHAARO CC(C)[NH+](CCNC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(C)C ZINC000014186777 220114800 /nfs/dbraw/zinc/11/48/00/220114800.db2.gz QCIHUECSBWNYEK-UHFFFAOYSA-N 1 0 373.522 3.849 50 0 FHAARO C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000014197804 220115804 /nfs/dbraw/zinc/11/58/04/220115804.db2.gz ZUFKRYYVVWCSNK-KRWDZBQOSA-N 1 0 370.468 3.895 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000014226236 220116910 /nfs/dbraw/zinc/11/69/10/220116910.db2.gz ZMUXQFHYJODAIZ-MRXNPFEDSA-N 1 0 357.523 3.733 50 0 FHAARO O=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000014246677 220119838 /nfs/dbraw/zinc/11/98/38/220119838.db2.gz SKJWULBECSSGBO-INIZCTEOSA-N 1 0 364.898 3.734 50 0 FHAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000014962952 220136919 /nfs/dbraw/zinc/13/69/19/220136919.db2.gz GXTMWEUWAIPZDY-QHCPKHFHSA-N 1 0 351.490 3.829 50 0 FHAARO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c(C)o1 ZINC000014962155 220137201 /nfs/dbraw/zinc/13/72/01/220137201.db2.gz GENBASIXHACESF-LJQANCHMSA-N 1 0 352.478 3.600 50 0 FHAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]CCC1=CCCCC1)C2 ZINC000014742323 220131320 /nfs/dbraw/zinc/13/13/20/220131320.db2.gz HFPGWJUWDHZAOX-SFHVURJKSA-N 1 0 372.557 3.578 50 0 FHAARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](C[C@H]3CC=CCC3)CC2)C1=O ZINC000014748113 220132966 /nfs/dbraw/zinc/13/29/66/220132966.db2.gz OURBQNXEVUGHDD-SFHVURJKSA-N 1 0 361.530 3.508 50 0 FHAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2Cc1ccccc1 ZINC000014754638 220132972 /nfs/dbraw/zinc/13/29/72/220132972.db2.gz ZNLIKVLNQXUOCE-GOSISDBHSA-N 1 0 371.525 3.740 50 0 FHAARO Cc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c(C)o1 ZINC000014962159 220137621 /nfs/dbraw/zinc/13/76/21/220137621.db2.gz GENBASIXHACESF-IBGZPJMESA-N 1 0 352.478 3.600 50 0 FHAARO C[N@@H+]1CCCN(c2ccc(-c3nc(-c4cccc(Cl)c4)no3)cn2)CC1 ZINC000015076203 220147597 /nfs/dbraw/zinc/14/75/97/220147597.db2.gz NZKYWYLTZSUQDV-UHFFFAOYSA-N 1 0 369.856 3.594 50 0 FHAARO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)o1 ZINC000015063295 220144209 /nfs/dbraw/zinc/14/42/09/220144209.db2.gz RFDMDYAKANBURM-JOCHJYFZSA-N 1 0 352.478 3.911 50 0 FHAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000015074519 220145472 /nfs/dbraw/zinc/14/54/72/220145472.db2.gz LHFMYNBAXPRJEW-UHFFFAOYSA-N 1 0 372.509 3.621 50 0 FHAARO CC(C)c1ccc(N[C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)cc1 ZINC000015074850 220145718 /nfs/dbraw/zinc/14/57/18/220145718.db2.gz MARJUGTYBKJTOJ-NRFANRHFSA-N 1 0 357.542 3.945 50 0 FHAARO CCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000015074178 220145889 /nfs/dbraw/zinc/14/58/89/220145889.db2.gz FPUUYIGMKRDAEN-OAQYLSRUSA-N 1 0 358.526 3.625 50 0 FHAARO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000015360870 220152790 /nfs/dbraw/zinc/15/27/90/220152790.db2.gz MCHURIPPSPYUHM-UHFFFAOYSA-N 1 0 373.305 3.534 50 0 FHAARO CCC[C@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000015679410 220161053 /nfs/dbraw/zinc/16/10/53/220161053.db2.gz ZZBXUVKNHPERJI-AWEZNQCLSA-N 1 0 360.889 3.677 50 0 FHAARO Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1C ZINC000015831721 220166009 /nfs/dbraw/zinc/16/60/09/220166009.db2.gz SYAQIVGQXPNNHM-HXUWFJFHSA-N 1 0 351.494 3.990 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCC(C)CC2)o1 ZINC000015860302 220168542 /nfs/dbraw/zinc/16/85/42/220168542.db2.gz GXMQJEDPOWIDSD-HXUWFJFHSA-N 1 0 370.493 3.865 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCCC2)o1 ZINC000015860196 220168575 /nfs/dbraw/zinc/16/85/75/220168575.db2.gz QIHLVXKAORASOU-FQEVSTJZSA-N 1 0 370.493 3.927 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)[NH+]2CCCCC2)o1 ZINC000015860177 220169228 /nfs/dbraw/zinc/16/92/28/220169228.db2.gz NHIJPKHKKYTZRX-GOSISDBHSA-N 1 0 356.466 3.619 50 0 FHAARO C[C@@H](NC(=O)C[NH2+]CCOc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000016046962 220175608 /nfs/dbraw/zinc/17/56/08/220175608.db2.gz QSGHXCUORWLDNP-MRXNPFEDSA-N 1 0 372.484 3.969 50 0 FHAARO O=C(C[NH2+][C@@H]1CCCc2ccccc21)N(Cc1ccco1)CC(F)(F)F ZINC000016046922 220176089 /nfs/dbraw/zinc/17/60/89/220176089.db2.gz LRZQMUWERGCEIB-QGZVFWFLSA-N 1 0 366.383 3.838 50 0 FHAARO CCc1ccc([C@H](C)NC(=O)C[NH2+]CCOc2ccc(Cl)cc2)cc1 ZINC000016046920 220176538 /nfs/dbraw/zinc/17/65/38/220176538.db2.gz URZWWRGEIRBYQO-HNNXBMFYSA-N 1 0 360.885 3.748 50 0 FHAARO CCCC[NH2+]C[C@@H](O)COc1ccc2ccccc2c1Br ZINC000016667156 220190031 /nfs/dbraw/zinc/19/00/31/220190031.db2.gz XDXSUBSIRLQAPY-CQSZACIVSA-N 1 0 352.272 3.732 50 0 FHAARO COc1ccc(C(=O)[C@@H](C)[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 ZINC000016995498 220199595 /nfs/dbraw/zinc/19/95/95/220199595.db2.gz AMTYUPTVHGATDY-OAHLLOKOSA-N 1 0 365.428 3.980 50 0 FHAARO Clc1ccc(-c2ccc(C[NH2+]CCc3nnc4ccccn43)o2)cc1 ZINC000017319010 220213411 /nfs/dbraw/zinc/21/34/11/220213411.db2.gz KJWQJLJMCGRIKL-UHFFFAOYSA-N 1 0 352.825 3.975 50 0 FHAARO Cc1c(C[NH2+][C@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)cnn1C ZINC000019223532 220241175 /nfs/dbraw/zinc/24/11/75/220241175.db2.gz WTULLOBFZWSYCY-QFIPXVFZSA-N 1 0 354.542 3.681 50 0 FHAARO CC1(C)Cc2c3c(ncn4nc(-c5ccco5)nc34)sc2C(C)(C)[NH2+]1 ZINC000019461724 220260984 /nfs/dbraw/zinc/26/09/84/220260984.db2.gz ILYKYVUOOVRRSU-UHFFFAOYSA-N 1 0 353.451 3.758 50 0 FHAARO c1ccc2cc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2c1 ZINC000019536932 220268813 /nfs/dbraw/zinc/26/88/13/220268813.db2.gz LSJHKAIHZJUKFS-UHFFFAOYSA-N 1 0 360.457 3.886 50 0 FHAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3Cl)C[C@@H]2CCO)cc1 ZINC000019741854 220292475 /nfs/dbraw/zinc/29/24/75/220292475.db2.gz SKLRDKHSBUJWLC-FQEVSTJZSA-N 1 0 358.913 3.717 50 0 FHAARO CCCn1ncc(C[NH2+][C@H](C)c2cnn(-c3ccc(OC)cc3)c2C)c1C ZINC000019758625 220294683 /nfs/dbraw/zinc/29/46/83/220294683.db2.gz QRPPGRZDTMOOHY-OAHLLOKOSA-N 1 0 367.497 3.955 50 0 FHAARO COc1ccc(CC[NH2+]Cc2cccc(Br)c2)cc1OC ZINC000019831488 220301918 /nfs/dbraw/zinc/30/19/18/220301918.db2.gz KAHPAQPTUWVFHA-UHFFFAOYSA-N 1 0 350.256 3.799 50 0 FHAARO Cc1ncc2c(c1-c1noc(-c3scc4c3CCCC4)n1)CC[NH2+]C2 ZINC000020201082 220317980 /nfs/dbraw/zinc/31/79/80/220317980.db2.gz KAABSVZQXNAHDE-UHFFFAOYSA-N 1 0 352.463 3.693 50 0 FHAARO O=C(CCc1ccc(F)cc1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000020607759 220336566 /nfs/dbraw/zinc/33/65/66/220336566.db2.gz MIJJTFMWKBSSFM-UHFFFAOYSA-N 1 0 370.512 3.727 50 0 FHAARO CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000020867691 220343433 /nfs/dbraw/zinc/34/34/33/220343433.db2.gz IZROUTVHUSDGCV-SFTDATJTSA-N 1 0 372.534 3.798 50 0 FHAARO C[NH2+]CCCNCc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876280 220344402 /nfs/dbraw/zinc/34/44/02/220344402.db2.gz XOSDSGPAWJMODT-UHFFFAOYSA-N 1 0 366.864 3.766 50 0 FHAARO COc1c(Br)cc(C[NH2+]CC(C)C)cc1Br ZINC000020927238 220346056 /nfs/dbraw/zinc/34/60/56/220346056.db2.gz WMTDVACNBMTACP-UHFFFAOYSA-N 1 0 351.082 3.966 50 0 FHAARO Cc1cccc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)c1C ZINC000021170563 220354330 /nfs/dbraw/zinc/35/43/30/220354330.db2.gz GCJGRIODXYCGKC-FQEVSTJZSA-N 1 0 358.526 3.939 50 0 FHAARO CC(C)C[C@](O)(c1ccc(O)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170076 220354665 /nfs/dbraw/zinc/35/46/65/220354665.db2.gz GJNXCEOWCHRBST-PKTZIBPZSA-N 1 0 369.505 3.742 50 0 FHAARO Cc1cccc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)c1C ZINC000021170556 220354902 /nfs/dbraw/zinc/35/49/02/220354902.db2.gz GCJGRIODXYCGKC-HXUWFJFHSA-N 1 0 358.526 3.939 50 0 FHAARO C[N@H+](CCCNC(=O)c1cccc2c1SCCC2=O)C1CCCCC1 ZINC000021103296 220350657 /nfs/dbraw/zinc/35/06/57/220350657.db2.gz GTZOJGNASOHYLI-UHFFFAOYSA-N 1 0 360.523 3.750 50 0 FHAARO CCCC[N@H+](CC)CCNc1ncnc2onc(-c3ccccc3OC)c21 ZINC000021715015 220365039 /nfs/dbraw/zinc/36/50/39/220365039.db2.gz FWJBLRCCFDSVOR-UHFFFAOYSA-N 1 0 369.469 3.827 50 0 FHAARO Clc1ccccc1COc1ccccc1C[NH2+]CCCN1CCOCC1 ZINC000022074021 220377344 /nfs/dbraw/zinc/37/73/44/220377344.db2.gz SRPZKBXUSCHPLQ-UHFFFAOYSA-N 1 0 374.912 3.731 50 0 FHAARO c1nc2sc3c(c2c(NCC2([NH+]4CCOCC4)CCCCC2)n1)CCC3 ZINC000022344195 220384307 /nfs/dbraw/zinc/38/43/07/220384307.db2.gz GVHOLGYAXZPFQI-UHFFFAOYSA-N 1 0 372.538 3.627 50 0 FHAARO COc1cc2c(cc1OC)[C@H](COc1cccc(C(F)(F)F)c1)[NH2+]CC2 ZINC000022405256 220385575 /nfs/dbraw/zinc/38/55/75/220385575.db2.gz WMJQESNBADGPSL-INIZCTEOSA-N 1 0 367.367 3.988 50 0 FHAARO Cc1cc(C)c(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(C)c1 ZINC000022402761 220385695 /nfs/dbraw/zinc/38/56/95/220385695.db2.gz SZZRGQUGUGSMFP-IBGZPJMESA-N 1 0 370.493 3.927 50 0 FHAARO COc1cccc([C@H](CNC(=O)CSc2ccccc2C)[NH+](C)C)c1 ZINC000022683228 220393911 /nfs/dbraw/zinc/39/39/11/220393911.db2.gz HDSWVMRYWPEKSU-SFHVURJKSA-N 1 0 358.507 3.515 50 0 FHAARO COc1ccc(OC)c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000026312500 220511665 /nfs/dbraw/zinc/51/16/65/220511665.db2.gz BIMBJBACSPCQAK-NRFANRHFSA-N 1 0 357.450 3.962 50 0 FHAARO COc1ccc([C@@H](C)[NH2+]CCCCN2C(=O)c3ccccc3C2=O)cc1F ZINC000032836287 220687873 /nfs/dbraw/zinc/68/78/73/220687873.db2.gz WOXSUPMLWNDSMX-CQSZACIVSA-N 1 0 370.424 3.561 50 0 FHAARO O=C(NCCC[NH+]1CCCCCC1)c1cc(Br)ccc1F ZINC000042674459 220940521 /nfs/dbraw/zinc/94/05/21/220940521.db2.gz NJSNGJLPFNAKHF-UHFFFAOYSA-N 1 0 357.267 3.584 50 0 FHAARO COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1F ZINC000047320503 220992369 /nfs/dbraw/zinc/99/23/69/220992369.db2.gz XQHIPLLZAHKQCH-UHFFFAOYSA-N 1 0 357.429 3.620 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccccc2-n2cccn2)C1 ZINC000048314891 221007663 /nfs/dbraw/zinc/00/76/63/221007663.db2.gz AIBWXVXKRGBGCT-QZTJIDSGSA-N 1 0 369.513 3.752 50 0 FHAARO CCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000048338688 221008770 /nfs/dbraw/zinc/00/87/70/221008770.db2.gz BJVTZXPDIPQSBH-UHFFFAOYSA-N 1 0 359.695 3.707 50 0 FHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cnc(NCc3ccccc3)nc2)c1 ZINC000055195649 221061162 /nfs/dbraw/zinc/06/11/62/221061162.db2.gz AJPYLAULNMTQKL-GOSISDBHSA-N 1 0 361.493 3.855 50 0 FHAARO COCC[N@H+](Cc1cccs1)Cc1cccc(Oc2ncccn2)c1 ZINC000055165861 221061666 /nfs/dbraw/zinc/06/16/66/221061666.db2.gz FOMZPZCYQOSZDO-UHFFFAOYSA-N 1 0 355.463 3.979 50 0 FHAARO CCN(CC[NH+]1CCCCC1)C(=O)CCC(=O)Nc1c(C)cc(C)cc1C ZINC000055271921 221064409 /nfs/dbraw/zinc/06/44/09/221064409.db2.gz NJBOFUNKKNJTAK-UHFFFAOYSA-N 1 0 373.541 3.665 50 0 FHAARO Cc1ccc(C(=O)Nc2cc(NC(=O)[C@H](C)[NH+]3CCCC3)ccc2C)cc1 ZINC000055281552 221064719 /nfs/dbraw/zinc/06/47/19/221064719.db2.gz JQZJAFFQRGLYEP-KRWDZBQOSA-N 1 0 365.477 3.979 50 0 FHAARO O=C(CCCc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053991413 221049271 /nfs/dbraw/zinc/04/92/71/221049271.db2.gz MDUJTEFNLXBDCK-UHFFFAOYSA-N 1 0 371.912 3.839 50 0 FHAARO Cc1cc2ncn(C[NH+]3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)c2cc1C ZINC000054471560 221052452 /nfs/dbraw/zinc/05/24/52/221052452.db2.gz WRWOXGPJBPLPRS-MRXNPFEDSA-N 1 0 368.525 3.581 50 0 FHAARO Cc1cc([C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000057154923 221084014 /nfs/dbraw/zinc/08/40/14/221084014.db2.gz MLWJYMKFAJQRJS-UYAOXDASSA-N 1 0 353.466 3.559 50 0 FHAARO COc1cccc(CNC(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)c1OC ZINC000055358585 221067481 /nfs/dbraw/zinc/06/74/81/221067481.db2.gz MQOXAGKQWATJHA-HNNXBMFYSA-N 1 0 372.465 3.774 50 0 FHAARO COc1cc(C[N@H+](CCO)Cc2ccc(SC)cc2)cc(Cl)c1O ZINC000055384167 221068457 /nfs/dbraw/zinc/06/84/57/221068457.db2.gz VOMMBSYJKOCWGF-UHFFFAOYSA-N 1 0 367.898 3.771 50 0 FHAARO CNC(=O)c1ccc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)cc1 ZINC000057383481 221088058 /nfs/dbraw/zinc/08/80/58/221088058.db2.gz XSTAAPPHNAMABO-LJQANCHMSA-N 1 0 373.884 3.625 50 0 FHAARO COc1cccc(COCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000058136236 221099546 /nfs/dbraw/zinc/09/95/46/221099546.db2.gz WRAVPRVXEDNTEB-UHFFFAOYSA-N 1 0 374.525 3.517 50 0 FHAARO O[C@H](C[NH2+]Cc1csc(-c2ccsc2)n1)c1ccc(F)c(F)c1 ZINC000058161358 221100542 /nfs/dbraw/zinc/10/05/42/221100542.db2.gz JWHHFNTYLMWINJ-OAHLLOKOSA-N 1 0 352.431 3.973 50 0 FHAARO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCC(=O)N1CCCCC1 ZINC000060806243 221131751 /nfs/dbraw/zinc/13/17/51/221131751.db2.gz NGJOULJPSKIOJX-UHFFFAOYSA-N 1 0 374.525 3.899 50 0 FHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(Br)o2)C1 ZINC000058264966 221111286 /nfs/dbraw/zinc/11/12/86/221111286.db2.gz KGRQDDYCSAFSPB-JHJVBQTASA-N 1 0 355.276 3.520 50 0 FHAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[C@H](c2ccccc2)C1 ZINC000058419507 221118664 /nfs/dbraw/zinc/11/86/64/221118664.db2.gz BOTAYGUZCYEBPZ-FQEVSTJZSA-N 1 0 355.526 3.840 50 0 FHAARO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000058426581 221119171 /nfs/dbraw/zinc/11/91/71/221119171.db2.gz HKSXRXAPIILAIC-LHSJRXKWSA-N 1 0 357.473 3.923 50 0 FHAARO OCCOc1cccc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)c1 ZINC000063832872 221144201 /nfs/dbraw/zinc/14/42/01/221144201.db2.gz LAZKTHOBSBJHRQ-FQEVSTJZSA-N 1 0 355.478 3.751 50 0 FHAARO CC(=O)Nc1ccc2nc(C[N@@H+](Cc3cnn(C)c3)CC(C)C)ccc2c1 ZINC000063882813 221144326 /nfs/dbraw/zinc/14/43/26/221144326.db2.gz IQRPTQZGPCKXJC-UHFFFAOYSA-N 1 0 365.481 3.585 50 0 FHAARO O=C(c1ccc(-c2ccsc2)nc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065173680 221175859 /nfs/dbraw/zinc/17/58/59/221175859.db2.gz LZOMABCLCFIEOS-UHFFFAOYSA-N 1 0 355.507 3.901 50 0 FHAARO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2nncn2Cc2ccccc2)C1 ZINC000065287800 221195589 /nfs/dbraw/zinc/19/55/89/221195589.db2.gz VULDMLYPOJMDRH-LJQANCHMSA-N 1 0 350.441 3.845 50 0 FHAARO C[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccc(Cl)cc1)N2 ZINC000065298516 221197241 /nfs/dbraw/zinc/19/72/41/221197241.db2.gz UBCFVDLEFOEVGS-GOSISDBHSA-N 1 0 369.896 3.991 50 0 FHAARO Cc1cc(C)cc(CCC(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)c1 ZINC000065383893 221207494 /nfs/dbraw/zinc/20/74/94/221207494.db2.gz ZGRCUNUHBKGGND-UHFFFAOYSA-N 1 0 365.521 3.754 50 0 FHAARO Cc1c(CO)cccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000065403599 221214085 /nfs/dbraw/zinc/21/40/85/221214085.db2.gz ZRWRJIAWUOILFQ-MRXNPFEDSA-N 1 0 352.478 3.972 50 0 FHAARO C[C@@H](c1cccc(-c2c(-c3ccccc3)ncn2CCC(N)=O)c1)[NH+](C)C ZINC000065468890 221223544 /nfs/dbraw/zinc/22/35/44/221223544.db2.gz YRFAZGUCODFTOW-INIZCTEOSA-N 1 0 362.477 3.715 50 0 FHAARO C[NH+](C)CCNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc21 ZINC000067261523 221251242 /nfs/dbraw/zinc/25/12/42/221251242.db2.gz BYUWVQOEVXJRSK-UHFFFAOYSA-N 1 0 366.856 3.571 50 0 FHAARO O[C@@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)s2)CC[C@H]1c1ccc(F)cc1 ZINC000067434954 221254111 /nfs/dbraw/zinc/25/41/11/221254111.db2.gz GXMDTLOUJREHCC-FUHWJXTLSA-N 1 0 357.454 3.628 50 0 FHAARO COc1ccc(-c2nc(CN3CC[C@@H](C[NH3+])C3)c(C)o2)c2ccccc12 ZINC000067727337 221277349 /nfs/dbraw/zinc/27/73/49/221277349.db2.gz YEARWIUHNOJCKN-HNNXBMFYSA-N 1 0 351.450 3.592 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](O)C3)c(C)o2)c2ccccc12 ZINC000067739700 221278706 /nfs/dbraw/zinc/27/87/06/221278706.db2.gz WQGQCWCOCVIRDR-OAHLLOKOSA-N 1 0 352.434 3.769 50 0 FHAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C[C@H]1CCC[N@H+]1C)CCO2 ZINC000067675846 221269212 /nfs/dbraw/zinc/26/92/12/221269212.db2.gz KLUUKGAXRNIZBO-LJQANCHMSA-N 1 0 352.478 3.656 50 0 FHAARO COc1ccc(Oc2ccc(C(=O)N(C)C)cc2)cc1C[NH+]1CCCC1 ZINC000067691367 221272772 /nfs/dbraw/zinc/27/27/72/221272772.db2.gz ZAIIUBDWHRCYLY-UHFFFAOYSA-N 1 0 354.450 3.785 50 0 FHAARO CCNC(=O)CC[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067755341 221280999 /nfs/dbraw/zinc/28/09/99/221280999.db2.gz NNIVGOPEMPNSMH-UHFFFAOYSA-N 1 0 374.488 3.628 50 0 FHAARO COCCCC1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299782565 533223659 /nfs/dbraw/zinc/22/36/59/533223659.db2.gz QANHGYDNLYRGTJ-BDTNDASRSA-N 1 0 370.537 3.877 50 0 FHAARO COc1ccc(-c2nc(CN3CC[N@H+](C)C(C)(C)C3)c(C)o2)c(OC)c1C ZINC000067803969 221287347 /nfs/dbraw/zinc/28/73/47/221287347.db2.gz JGRXIPVQNFUBCL-UHFFFAOYSA-N 1 0 373.497 3.502 50 0 FHAARO C[NH+]1CCN(Cc2ccccc2Oc2cc(C(F)(F)F)ccn2)CC1 ZINC000067850907 221295883 /nfs/dbraw/zinc/29/58/83/221295883.db2.gz YGPIIOAJUAMGSO-UHFFFAOYSA-N 1 0 351.372 3.640 50 0 FHAARO COc1ccc2cc(C[NH+]3CCC(c4cccc(O)c4)CC3)c(=O)[nH]c2c1 ZINC000067907900 221304376 /nfs/dbraw/zinc/30/43/76/221304376.db2.gz MCYVPEAZJMDPGO-UHFFFAOYSA-N 1 0 364.445 3.622 50 0 FHAARO O=C(c1ccc(-c2cccnc2)nc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000067934979 221306147 /nfs/dbraw/zinc/30/61/47/221306147.db2.gz VTXJDFGKLAJSKF-UHFFFAOYSA-N 1 0 364.493 3.624 50 0 FHAARO COc1ccc(-c2nc(CN3CC[C@H]([NH+](C)C)C3)c(C)o2)c2ccccc12 ZINC000067935157 221307250 /nfs/dbraw/zinc/30/72/50/221307250.db2.gz GIDMERUCSBICHG-INIZCTEOSA-N 1 0 365.477 3.948 50 0 FHAARO COc1cccc([C@@H]2CC[N@H+](Cc3[nH]c4ccccc4c3C)C[C@H]2O)c1 ZINC000067983371 221313178 /nfs/dbraw/zinc/31/31/78/221313178.db2.gz OHYJVLUJCDSBBN-SIKLNZKXSA-N 1 0 350.462 3.835 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)no2)cc1 ZINC000071195101 221335647 /nfs/dbraw/zinc/33/56/47/221335647.db2.gz VBTMJTHPXFBQTJ-QGZVFWFLSA-N 1 0 355.463 3.744 50 0 FHAARO CC(C)[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CCC(=O)N1CC1CC1 ZINC000071738831 221358355 /nfs/dbraw/zinc/35/83/55/221358355.db2.gz UAARONGOPYIPTI-NRFANRHFSA-N 1 0 351.494 3.704 50 0 FHAARO CCn1nc(C(C)C)cc1C(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071748602 221361032 /nfs/dbraw/zinc/36/10/32/221361032.db2.gz LWQLNRNYIOAERB-HXUWFJFHSA-N 1 0 360.546 3.609 50 0 FHAARO CC(C)[C@H]1CN(Cc2cc(-c3ccccn3)no2)CCC[N@@H+]1CC1CC1 ZINC000071755341 221365014 /nfs/dbraw/zinc/36/50/14/221365014.db2.gz USWHMWNSWNPAQC-OAQYLSRUSA-N 1 0 354.498 3.679 50 0 FHAARO CCNC(=O)[C@H]1CC[N@H+](Cc2nc(-c3ccc4ccccc4c3)oc2C)C1 ZINC000071759644 221367151 /nfs/dbraw/zinc/36/71/51/221367151.db2.gz PYYLVUVSEVUKDC-IBGZPJMESA-N 1 0 363.461 3.761 50 0 FHAARO C[NH+](C)[C@H]1CCCN(C(=O)CCC(=O)c2cccc3ccccc32)CC1 ZINC000072174180 221448080 /nfs/dbraw/zinc/44/80/80/221448080.db2.gz YZIIUZKSVFUXCJ-SFHVURJKSA-N 1 0 352.478 3.745 50 0 FHAARO O=C1[C@H](c2ccccc2)CC2(CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000091713851 132203273 /nfs/dbraw/zinc/20/32/73/132203273.db2.gz SZFLTSFOGPLNFM-NRFANRHFSA-N 1 0 361.489 3.847 50 0 FHAARO Cc1cc(N2CCC([C@H](C)[NH+]3CCOCC3)CC2)nc2ccc(F)cc12 ZINC000095365466 132208187 /nfs/dbraw/zinc/20/81/87/132208187.db2.gz ZGOMMFMSUKFDLS-INIZCTEOSA-N 1 0 357.473 3.619 50 0 FHAARO Cc1ccc2cc(CO)c(N3CCC([C@@H](C)[NH+]4CCCC4)CC3)nc2c1 ZINC000095516819 132213498 /nfs/dbraw/zinc/21/34/98/132213498.db2.gz LMWUZFPVEVEECC-QGZVFWFLSA-N 1 0 353.510 3.736 50 0 FHAARO C[NH+](C)C1CCN(c2ccc(C(F)(F)F)cc2Br)CC1 ZINC000169725679 132262232 /nfs/dbraw/zinc/26/22/32/132262232.db2.gz KXKOPMFYXXMUNT-UHFFFAOYSA-N 1 0 351.210 3.998 50 0 FHAARO Cc1cc(N2CCC(CNC(=O)c3nc4ccccc4s3)CC2)cc[nH+]1 ZINC000253394695 132377191 /nfs/dbraw/zinc/37/71/91/132377191.db2.gz BISGCHOPFSEOGT-UHFFFAOYSA-N 1 0 366.490 3.646 50 0 FHAARO Fc1ccc(N2CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000000757765 132378338 /nfs/dbraw/zinc/37/83/38/132378338.db2.gz HNWCYTUJOQVGNK-UHFFFAOYSA-N 1 0 367.512 3.655 50 0 FHAARO CCCCOc1ccc(CNC(=O)[C@H]2CCCN(c3cc[nH+]cc3)C2)cc1 ZINC000033128902 136117420 /nfs/dbraw/zinc/11/74/20/136117420.db2.gz DBACIBHEQSBQHS-IBGZPJMESA-N 1 0 367.493 3.793 50 0 FHAARO CCc1nc2sc(C)cc2c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000041090694 136120872 /nfs/dbraw/zinc/12/08/72/136120872.db2.gz ZDRRJSIJBNOMPG-UHFFFAOYSA-N 1 0 352.507 3.884 50 0 FHAARO Cc1csc(C[N@@H+](C)C2CCN(c3ccc(-n4cccn4)cc3)CC2)n1 ZINC000048130441 136122973 /nfs/dbraw/zinc/12/29/73/136122973.db2.gz SOSDDFFKHIAZFG-UHFFFAOYSA-N 1 0 367.522 3.738 50 0 FHAARO Cc1cc(N2CC[NH+](CCCOc3ccc(F)cc3)CC2)nc(C(C)C)n1 ZINC000052685363 136124571 /nfs/dbraw/zinc/12/45/71/136124571.db2.gz AODVDQULPWVGJM-UHFFFAOYSA-N 1 0 372.488 3.639 50 0 FHAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000070928610 136138504 /nfs/dbraw/zinc/13/85/04/136138504.db2.gz SKFGRDZRGAGJLL-UHFFFAOYSA-N 1 0 363.383 3.747 50 0 FHAARO O=C1CC[C@H]2C[N@H+](CCCCCF)CC[C@H]2N1CCc1cccs1 ZINC000072463010 221539933 /nfs/dbraw/zinc/53/99/33/221539933.db2.gz SJVHFTLNQFUFLQ-FUHWJXTLSA-N 1 0 352.519 3.743 50 0 FHAARO CC[C@@H](C)Oc1ccc(C[NH+]2CCC(CNC(C)=O)CC2)cc1Cl ZINC000077342324 221610177 /nfs/dbraw/zinc/61/01/77/221610177.db2.gz XVZMBWCEJCHSPE-CQSZACIVSA-N 1 0 352.906 3.865 50 0 FHAARO CC(C)[NH+]1CCC(CC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)CC1 ZINC000095362615 221863368 /nfs/dbraw/zinc/86/33/68/221863368.db2.gz ILKJVALUAIQEOQ-HXUWFJFHSA-N 1 0 368.525 3.747 50 0 FHAARO Cc1ccc(NC(=O)NC2CC[NH+](C3CCSCC3)CC2)c(F)c1 ZINC000095500675 221926256 /nfs/dbraw/zinc/92/62/56/221926256.db2.gz FAJRQBLSMRCKEO-UHFFFAOYSA-N 1 0 351.491 3.616 50 0 FHAARO Cc1nc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cs1 ZINC000095965011 221981674 /nfs/dbraw/zinc/98/16/74/221981674.db2.gz IBBFZVQWNVVEML-MQVJKMGUSA-N 1 0 351.516 3.514 50 0 FHAARO CC(C)c1cc(NC(=O)N2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)n(C)n1 ZINC000096140441 222044058 /nfs/dbraw/zinc/04/40/58/222044058.db2.gz IUMBFLLGXVDXON-LJQANCHMSA-N 1 0 369.513 3.974 50 0 FHAARO CC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)s2)cs1 ZINC000096150106 222051510 /nfs/dbraw/zinc/05/15/10/222051510.db2.gz VONXFGSSSLSRAW-UHFFFAOYSA-N 1 0 350.509 3.525 50 0 FHAARO CCn1nc(-c2ccncc2)nc1CC1CC[NH+](Cc2ccccc2)CC1 ZINC000096153408 222055294 /nfs/dbraw/zinc/05/52/94/222055294.db2.gz ZTTBMSQUQZFUDV-UHFFFAOYSA-N 1 0 361.493 3.815 50 0 FHAARO COc1ccc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+](C)C)c(OC)c1 ZINC000096363847 222117570 /nfs/dbraw/zinc/11/75/70/222117570.db2.gz UCCBWFAMFDPNLY-UHFFFAOYSA-N 1 0 373.478 3.869 50 0 FHAARO O[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)CN1CCc2ccccc2C1 ZINC000096797773 222130070 /nfs/dbraw/zinc/13/00/70/222130070.db2.gz UOJIHWBBJXSABY-QGZVFWFLSA-N 1 0 365.304 3.502 50 0 FHAARO Cc1cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c(C)n1-c1nccs1 ZINC000097476328 222184508 /nfs/dbraw/zinc/18/45/08/222184508.db2.gz UAPJAJHANZUNAR-UHFFFAOYSA-N 1 0 374.554 3.935 50 0 FHAARO O[C@@H](c1ccccn1)C1CC[NH+](CC2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000097698933 222206707 /nfs/dbraw/zinc/20/67/07/222206707.db2.gz SANOLJNPEMFDTN-OAQYLSRUSA-N 1 0 370.880 3.956 50 0 FHAARO C[C@@H](c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)o1)[NH+]1CCCCC1 ZINC000097742808 222209529 /nfs/dbraw/zinc/20/95/29/222209529.db2.gz ZHHVAVZBXGICKT-HNNXBMFYSA-N 1 0 366.465 3.675 50 0 FHAARO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC([C@H](O)c2ccccn2)CC1 ZINC000097815000 222214295 /nfs/dbraw/zinc/21/42/95/222214295.db2.gz BNIUIPYJYSGDGZ-NRFANRHFSA-N 1 0 353.441 3.956 50 0 FHAARO COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2)c1 ZINC000103510542 222338101 /nfs/dbraw/zinc/33/81/01/222338101.db2.gz ALPMVARFXLZYFH-UZLBHIALSA-N 1 0 368.477 3.718 50 0 FHAARO Cc1ccc([C@H](c2sc3ncnn3c2[O-])[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000102825219 222310107 /nfs/dbraw/zinc/31/01/07/222310107.db2.gz QSFMLTRNMJEJIR-IIAWOOMASA-N 1 0 356.495 3.872 50 0 FHAARO O=C(c1ccccc1)[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000105110598 222365005 /nfs/dbraw/zinc/36/50/05/222365005.db2.gz KNMIBDHVTIJEQG-RXVVDRJESA-N 1 0 352.453 3.999 50 0 FHAARO COc1ccccc1C[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000003268710 263328564 /nfs/dbraw/zinc/32/85/64/263328564.db2.gz JFNQPYACHVDAKM-SFHVURJKSA-N 1 0 360.457 3.954 50 0 FHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(-c2ccccc2)n[nH]1 ZINC000007117901 263349023 /nfs/dbraw/zinc/34/90/23/263349023.db2.gz PYHZQICMANNJFS-UHFFFAOYSA-N 1 0 360.461 3.603 50 0 FHAARO CC[NH+](CC)[C@@H]1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000020450600 263380374 /nfs/dbraw/zinc/38/03/74/263380374.db2.gz FNABMXTWULGNNT-OAHLLOKOSA-N 1 0 368.403 3.672 50 0 FHAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCSc3ccc(Cl)cc32)no1 ZINC000025217020 263388654 /nfs/dbraw/zinc/38/86/54/263388654.db2.gz VTOZEWGSHHXBTO-GXFFZTMASA-N 1 0 351.859 3.790 50 0 FHAARO COc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c(OCC[NH3+])c1 ZINC000426549943 263631563 /nfs/dbraw/zinc/63/15/63/263631563.db2.gz MZQYFKIZEOPPBQ-LJQANCHMSA-N 1 0 372.440 3.539 50 0 FHAARO O=C(c1ccc(-c2ccc3c(c2)CCC3=O)cc1)N1CC([NH+]2CCCCC2)C1 ZINC000426571360 263635294 /nfs/dbraw/zinc/63/52/94/263635294.db2.gz CHXWUCCBHWUCGT-UHFFFAOYSA-N 1 0 374.484 3.793 50 0 FHAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OC1Cc2ccccc2C1 ZINC000299801286 533885074 /nfs/dbraw/zinc/88/50/74/533885074.db2.gz XXGGOBDDMLNSAG-LJQANCHMSA-N 1 0 353.462 3.510 50 0 FHAARO CC(=O)CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000252445407 519419656 /nfs/dbraw/zinc/41/96/56/519419656.db2.gz QEPLIBYYEBCJRH-KCZVDYSFSA-N 1 0 359.510 3.603 50 0 FHAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)C[C@H](C)c3ccccc3)cc2C1 ZINC000082098230 519723176 /nfs/dbraw/zinc/72/31/76/519723176.db2.gz RWFBONLBALYRFJ-SFHVURJKSA-N 1 0 368.525 3.555 50 0 FHAARO CCCOc1c(Br)cc(C[NH2+]Cc2ccncc2)cc1OC ZINC000020933046 520291616 /nfs/dbraw/zinc/29/16/16/520291616.db2.gz IHPGFGGRLXXIQH-UHFFFAOYSA-N 1 0 365.271 3.931 50 0 FHAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCCN1CCCC1=O ZINC000020930441 520296550 /nfs/dbraw/zinc/29/65/50/520296550.db2.gz AOEARRCROBCJBF-UHFFFAOYSA-N 1 0 359.297 3.884 50 0 FHAARO CCOc1cc(CN2CC[NH+](Cc3ccccc3C)CC2)ccc1OC ZINC000019832026 520698877 /nfs/dbraw/zinc/69/88/77/520698877.db2.gz OGKCFJRQTWGFOQ-UHFFFAOYSA-N 1 0 354.494 3.720 50 0 FHAARO CCOc1ccccc1OCC[NH+]1CCC2(CCC(=O)N(C(C)C)C2)CC1 ZINC000091365229 521565221 /nfs/dbraw/zinc/56/52/21/521565221.db2.gz LHVBWQWFBJYZLL-UHFFFAOYSA-N 1 0 374.525 3.577 50 0 FHAARO C[NH2+]C[C@H]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000178966684 522089779 /nfs/dbraw/zinc/08/97/79/522089779.db2.gz JOVDFHGSZHPAPD-SNVBAGLBSA-N 1 0 370.305 3.798 50 0 FHAARO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020807188 522436374 /nfs/dbraw/zinc/43/63/74/522436374.db2.gz LQTRZGRKWASDLG-CTNGQTDRSA-N 1 0 368.521 3.762 50 0 FHAARO CCn1ncc(CN2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)c1C ZINC000091519118 523691785 /nfs/dbraw/zinc/69/17/85/523691785.db2.gz HFABNTWOMAOOKD-JTHBVZDNSA-N 1 0 366.553 3.740 50 0 FHAARO CCc1cc(NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)nc(C)n1 ZINC000082136865 523824094 /nfs/dbraw/zinc/82/40/94/523824094.db2.gz ZKRIXQXMVNTDFF-UHFFFAOYSA-N 1 0 368.529 3.694 50 0 FHAARO CCc1ccc(C[NH+]2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000019842224 523927803 /nfs/dbraw/zinc/92/78/03/523927803.db2.gz PVLWTLYFULHWAP-UHFFFAOYSA-N 1 0 354.494 3.584 50 0 FHAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(OCc3ccccc3F)cc1)C2 ZINC000091306067 524026571 /nfs/dbraw/zinc/02/65/71/524026571.db2.gz YBQDGUTWXDQHBJ-QFBILLFUSA-N 1 0 368.452 3.571 50 0 FHAARO C[C@@H]1CCC[C@H]([NH+]2CCN(C(=O)COc3ccc4ccccc4c3)CC2)C1 ZINC000020569782 524392329 /nfs/dbraw/zinc/39/23/29/524392329.db2.gz UNBUUESLNYKJKW-NQIIRXRSSA-N 1 0 366.505 3.942 50 0 FHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2Br)C1 ZINC000156567285 525020412 /nfs/dbraw/zinc/02/04/12/525020412.db2.gz QNALOCAVXOGUEW-MCIONIFRSA-N 1 0 353.304 3.529 50 0 FHAARO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C)c1 ZINC000020109637 525436722 /nfs/dbraw/zinc/43/67/22/525436722.db2.gz VMQVIRTXFJKDTB-HXUWFJFHSA-N 1 0 374.912 3.519 50 0 FHAARO O[C@H](CSc1cccc(Cl)c1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020384917 526293260 /nfs/dbraw/zinc/29/32/60/526293260.db2.gz NSNRUVWGIWQUCM-SFHVURJKSA-N 1 0 362.926 3.615 50 0 FHAARO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000020869575 526414076 /nfs/dbraw/zinc/41/40/76/526414076.db2.gz TVBQGORNUNPMGQ-FQEVSTJZSA-N 1 0 359.533 3.992 50 0 FHAARO NC(=O)[C@H](C[NH2+]Cc1c(Cl)cccc1Cl)Cc1ccc(F)cc1 ZINC000089768050 526992896 /nfs/dbraw/zinc/99/28/96/526992896.db2.gz HBXFSABXLMVNDG-LBPRGKRZSA-N 1 0 355.240 3.566 50 0 FHAARO Cc1nc([C@@H](C)N(C)C(=O)C2CC[NH+](Cc3ccco3)CC2)c(C)s1 ZINC000082134985 527025190 /nfs/dbraw/zinc/02/51/90/527025190.db2.gz WKSBBHMVRSSKQM-CYBMUJFWSA-N 1 0 361.511 3.785 50 0 FHAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)C1 ZINC000178543783 527216162 /nfs/dbraw/zinc/21/61/62/527216162.db2.gz IGZZYJPSAZMYBB-NSHDSACASA-N 1 0 366.248 3.602 50 0 FHAARO CC(=O)c1ccc(NC(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000299759626 527306879 /nfs/dbraw/zinc/30/68/79/527306879.db2.gz NQRARFICGXFKPA-LJQANCHMSA-N 1 0 365.477 3.923 50 0 FHAARO OCC1CC[NH+]([C@H]2CCCN(Cc3ccc(OC4CCCC4)cc3)C2)CC1 ZINC000019837850 527528734 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C[C@@H](Cc1cnccn1)[N@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000215362133 568066040 /nfs/dbraw/zinc/06/60/40/568066040.db2.gz UGPSTGFQICQPMJ-KRWDZBQOSA-N 1 0 357.461 3.854 50 0 FHAARO Cn1cnnc1Sc1ccc(CN2CCCC[C@@H]2c2cccnc2)o1 ZINC000215826940 568091048 /nfs/dbraw/zinc/09/10/48/568091048.db2.gz AKKDLRZSUPKDBT-MRXNPFEDSA-N 1 0 355.467 3.682 50 0 FHAARO c1cn(-c2ccc(CN3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)cc2)cn1 ZINC000215889800 568094237 /nfs/dbraw/zinc/09/42/37/568094237.db2.gz YBOLLIBHFHEGPP-XMMPIXPASA-N 1 0 372.516 3.547 50 0 FHAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[NH+](C3CCSCC3)CC2)c1 ZINC000215899112 568094663 /nfs/dbraw/zinc/09/46/63/568094663.db2.gz RRDQCCAPKOCWCT-UHFFFAOYSA-N 1 0 370.566 3.707 50 0 FHAARO CCOc1ccc(CN2CCC[N@H+](Cc3ccccn3)CC2)cc1Cl ZINC000216015619 568100836 /nfs/dbraw/zinc/10/08/36/568100836.db2.gz RRNQCGITAJOAJZ-UHFFFAOYSA-N 1 0 359.901 3.842 50 0 FHAARO COc1ccc2[nH]c(=O)c(CN3CCCC[C@@H]3c3nccs3)cc2c1 ZINC000216099857 568105397 /nfs/dbraw/zinc/10/53/97/568105397.db2.gz WTNQVPUEUWOQLH-QGZVFWFLSA-N 1 0 355.463 3.720 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000007829261 568258657 /nfs/dbraw/zinc/25/86/57/568258657.db2.gz WNFDBHONDCXOEU-UHFFFAOYSA-N 1 0 362.477 3.644 50 0 FHAARO O=C(NCC[NH+]1CCCCCC1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953191 568439265 /nfs/dbraw/zinc/43/92/65/568439265.db2.gz YUGDSIPVOHVYLF-UHFFFAOYSA-N 1 0 374.488 3.903 50 0 FHAARO CCOc1ccccc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091769721 570438424 /nfs/dbraw/zinc/43/84/24/570438424.db2.gz GAJNUPBVXMDNFV-GHTZIAJQSA-N 1 0 351.494 3.577 50 0 FHAARO Clc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cc1 ZINC000091770710 570438559 /nfs/dbraw/zinc/43/85/59/570438559.db2.gz JDOATEZVUATBIR-FXAWDEMLSA-N 1 0 371.912 3.710 50 0 FHAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cc(F)cc(F)c1)C2 ZINC000091849345 570441037 /nfs/dbraw/zinc/44/10/37/570441037.db2.gz OOWCATBICCPXRJ-HNAYVOBHSA-N 1 0 361.436 3.666 50 0 FHAARO CNc1nc(C[N@@H+]2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)cs1 ZINC000091998020 570444330 /nfs/dbraw/zinc/44/43/30/570444330.db2.gz IPPAWUWQGYUAAZ-IBGZPJMESA-N 1 0 359.495 3.758 50 0 FHAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000091998144 570444350 /nfs/dbraw/zinc/44/43/50/570444350.db2.gz XIJBMWTZENUOLX-JOCHJYFZSA-N 1 0 353.510 3.862 50 0 FHAARO OC[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091997158 570444502 /nfs/dbraw/zinc/44/45/02/570444502.db2.gz NTIYBZIDPNMTQZ-QZTJIDSGSA-N 1 0 370.459 3.622 50 0 FHAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(CSc3ccccc3)o1)C2 ZINC000092028957 570445623 /nfs/dbraw/zinc/44/56/23/570445623.db2.gz SKNHNXVRRNWWJD-JKSUJKDBSA-N 1 0 356.491 3.738 50 0 FHAARO Cc1cc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)c(C)o1 ZINC000092028784 570445639 /nfs/dbraw/zinc/44/56/39/570445639.db2.gz BQWLNXZNWOBWEE-UHFFFAOYSA-N 1 0 370.497 3.561 50 0 FHAARO O=C(CCOc1ccccc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000092066501 570446608 /nfs/dbraw/zinc/44/66/08/570446608.db2.gz SVSSRDILYKQPLK-NHCUHLMSSA-N 1 0 364.489 3.579 50 0 FHAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1ccc(-c2cc[nH]n2)cc1 ZINC000095352701 570452176 /nfs/dbraw/zinc/45/21/76/570452176.db2.gz KSLGWTAZBFQDQC-OAQYLSRUSA-N 1 0 374.488 3.686 50 0 FHAARO CSc1ncccc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095356913 570453239 /nfs/dbraw/zinc/45/32/39/570453239.db2.gz YBZUGAVNDSCYOG-QZTJIDSGSA-N 1 0 367.518 3.540 50 0 FHAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccncc3F)CC2)C1 ZINC000095366231 570455498 /nfs/dbraw/zinc/45/54/98/570455498.db2.gz ATGRXJVSQHOULU-SFHVURJKSA-N 1 0 367.468 3.562 50 0 FHAARO COCCN(Cc1ccccc1C)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095373046 570456704 /nfs/dbraw/zinc/45/67/04/570456704.db2.gz YOWBOPHVSDKUAI-OAQYLSRUSA-N 1 0 366.505 3.751 50 0 FHAARO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2nccn2Cc2cscn2)C1 ZINC000095374678 570457264 /nfs/dbraw/zinc/45/72/64/570457264.db2.gz ILMSISFKEOIIPO-CQSZACIVSA-N 1 0 359.524 3.532 50 0 FHAARO OC[C@@]12C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]1c1ccccc1OC2 ZINC000095376238 570457890 /nfs/dbraw/zinc/45/78/90/570457890.db2.gz VMEOJQCIDZXNAV-IEBWSBKVSA-N 1 0 363.379 3.676 50 0 FHAARO O=C(NCc1cc2cc(Cl)ccc2[nH]1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095380593 570458867 /nfs/dbraw/zinc/45/88/67/570458867.db2.gz HWSQXVIDFYPAQK-CQSZACIVSA-N 1 0 371.868 3.943 50 0 FHAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CC=C(c2ccccc2)CC1 ZINC000095380432 570458984 /nfs/dbraw/zinc/45/89/84/570458984.db2.gz NDAPMJKQXQRRSK-HXUWFJFHSA-N 1 0 350.462 3.808 50 0 FHAARO COCC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000095497324 570461897 /nfs/dbraw/zinc/46/18/97/570461897.db2.gz OHMPLHDEJMKNBE-UHFFFAOYSA-N 1 0 372.440 3.915 50 0 FHAARO CCc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)[nH]1 ZINC000095498666 570462359 /nfs/dbraw/zinc/46/23/59/570462359.db2.gz ZTMRUSVELLEBMR-IBGZPJMESA-N 1 0 367.537 3.912 50 0 FHAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)N[C@H]1COc2ccccc2C1 ZINC000095498248 570462376 /nfs/dbraw/zinc/46/23/76/570462376.db2.gz GWQZWNMSZQKZPV-LJQANCHMSA-N 1 0 365.477 3.798 50 0 FHAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000095505752 570464542 /nfs/dbraw/zinc/46/45/42/570464542.db2.gz OMBCWANUYHTQRO-IBGZPJMESA-N 1 0 352.453 3.920 50 0 FHAARO Cn1cc(Cl)cc1C(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000095512397 570466065 /nfs/dbraw/zinc/46/60/65/570466065.db2.gz IQJASWKKOHNDTK-UHFFFAOYSA-N 1 0 373.928 3.705 50 0 FHAARO Cn1ccc2ccc(C(=O)NC[C@H](c3ccc(F)cc3)[NH+]3CCCC3)cc21 ZINC000095524655 570468466 /nfs/dbraw/zinc/46/84/66/570468466.db2.gz NJPWPLDBPIMWTE-OAQYLSRUSA-N 1 0 365.452 3.884 50 0 FHAARO COc1ccc(CN2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)cc1O ZINC000095529726 570469354 /nfs/dbraw/zinc/46/93/54/570469354.db2.gz UJEFTUZULVWTOI-FQEVSTJZSA-N 1 0 366.505 3.855 50 0 FHAARO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCC[NH+](C)C ZINC000002150206 570515676 /nfs/dbraw/zinc/51/56/76/570515676.db2.gz BKSRACMSZUWSTO-UHFFFAOYSA-N 1 0 356.253 3.638 50 0 FHAARO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(Sc2ccccn2)CC1 ZINC000072308937 570522300 /nfs/dbraw/zinc/52/23/00/570522300.db2.gz ZHUPNSNLCLAXBB-IRXDYDNUSA-N 1 0 361.555 3.818 50 0 FHAARO COc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000002734542 570528971 /nfs/dbraw/zinc/52/89/71/570528971.db2.gz YKJYYASDIHRSQI-FQEVSTJZSA-N 1 0 352.478 3.566 50 0 FHAARO CCNC(=O)[C@H]1C[C@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2F)C1 ZINC000034711187 570532637 /nfs/dbraw/zinc/53/26/37/570532637.db2.gz YBDKHMQPMBHKOT-PMACEKPBSA-N 1 0 354.469 3.876 50 0 FHAARO CCOC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1OC ZINC000002862092 570539562 /nfs/dbraw/zinc/53/95/62/570539562.db2.gz OZAMKSBGPJALFN-HZPDHXFCSA-N 1 0 357.450 3.876 50 0 FHAARO Fc1ccc(COc2ccccc2C[NH2+]CCOc2ccccn2)cc1 ZINC000113395855 570543892 /nfs/dbraw/zinc/54/38/92/570543892.db2.gz YFALDPNHEKSNKY-UHFFFAOYSA-N 1 0 352.409 3.968 50 0 FHAARO CCOc1c(Cl)cc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1OC ZINC000113399106 570544361 /nfs/dbraw/zinc/54/43/61/570544361.db2.gz ABNLTANUWUUJCQ-UHFFFAOYSA-N 1 0 359.857 3.956 50 0 FHAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)C1 ZINC000237451210 570557005 /nfs/dbraw/zinc/55/70/05/570557005.db2.gz UKYNUHLETGDQMJ-ZFWWWQNUSA-N 1 0 360.404 3.957 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(OC(F)F)c1 ZINC000004933051 570562402 /nfs/dbraw/zinc/56/24/02/570562402.db2.gz VKIWHQNLGRONGR-UHFFFAOYSA-N 1 0 360.404 3.682 50 0 FHAARO Cc1ccc(OCCOC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1C ZINC000004942395 570564746 /nfs/dbraw/zinc/56/47/46/570564746.db2.gz CKQFLBLKBWSMIN-SFHVURJKSA-N 1 0 351.531 3.864 50 0 FHAARO Cc1cccc(C[N@H+](C[C@H](O)COCc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000036100617 570567000 /nfs/dbraw/zinc/56/70/00/570567000.db2.gz KTLXZYAIABAAHU-GOTSBHOMSA-N 1 0 369.505 3.554 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)CC1 ZINC000004123058 570577636 /nfs/dbraw/zinc/57/76/36/570577636.db2.gz PWOZPTCHGPKELD-UHFFFAOYSA-N 1 0 367.493 3.868 50 0 FHAARO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)C2CC2)cc1 ZINC000248148397 570598513 /nfs/dbraw/zinc/59/85/13/570598513.db2.gz UPERYMFWBACBCB-BSLALVQMSA-N 1 0 356.510 3.917 50 0 FHAARO Cn1cccc1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426433964 570604744 /nfs/dbraw/zinc/60/47/44/570604744.db2.gz FFNGEYZBVRSFJJ-OAQYLSRUSA-N 1 0 353.510 3.691 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000004983624 570616129 /nfs/dbraw/zinc/61/61/29/570616129.db2.gz VXOJUABNYFTJTI-UHFFFAOYSA-N 1 0 364.276 3.998 50 0 FHAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+][C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000005091061 570620861 /nfs/dbraw/zinc/62/08/61/570620861.db2.gz RYCUSVMSELEEDX-JWEZACLISA-N 1 0 366.505 3.821 50 0 FHAARO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000005112771 570621098 /nfs/dbraw/zinc/62/10/98/570621098.db2.gz DLLNEFBJVYNQMD-OAQYLSRUSA-N 1 0 362.473 3.582 50 0 FHAARO Cc1ccc(-c2cnn3c2nc(C(C)(C)C)cc3N2CC[NH+](C)CC2)cc1 ZINC000005345949 570623826 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CC(C)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000010450789 570700837 /nfs/dbraw/zinc/70/08/37/570700837.db2.gz FDQYHPJAJCZTPX-UHFFFAOYSA-N 1 0 366.505 3.970 50 0 FHAARO c1ccc(-c2cnnc(NCC[N@@H+]3CCC[C@H](c4ccccc4)C3)n2)cc1 ZINC000011838532 570708928 /nfs/dbraw/zinc/70/89/28/570708928.db2.gz HDVJAGLYKLOLTM-FQEVSTJZSA-N 1 0 359.477 3.830 50 0 FHAARO COc1ccccc1/C=C/C[N@H+]1CCC(=O)N(Cc2ccc(F)cc2)CC1 ZINC000011841971 570709319 /nfs/dbraw/zinc/70/93/19/570709319.db2.gz GAORGHZGTDAEEK-GQCTYLIASA-N 1 0 368.452 3.582 50 0 FHAARO CC(C)CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011842678 570709347 /nfs/dbraw/zinc/70/93/47/570709347.db2.gz FLSDWZBEKRDBHP-NRFANRHFSA-N 1 0 371.569 3.525 50 0 FHAARO CSCCC(=O)N1CC[C@@H](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000011874793 570710923 /nfs/dbraw/zinc/71/09/23/570710923.db2.gz FAMWLFHIHDEJLV-HXUWFJFHSA-N 1 0 360.567 3.543 50 0 FHAARO CCN(Cc1[nH]cnc1C)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011935767 570711891 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C[C@@H]1C[N@H+](C2CCN(Cc3ccccc3Br)CC2)C[C@H](C)O1 ZINC000012363249 570738810 /nfs/dbraw/zinc/73/88/10/570738810.db2.gz AQDBYXKBXZXASE-GASCZTMLSA-N 1 0 367.331 3.523 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000012382471 570740997 /nfs/dbraw/zinc/74/09/97/570740997.db2.gz ZMSHJBLNTVDAFK-GFCCVEGCSA-N 1 0 359.297 3.750 50 0 FHAARO COc1ccc(CC2(CO)CC[NH+](Cc3ccc(F)c(OC)c3)CC2)cc1 ZINC000012386387 570741368 /nfs/dbraw/zinc/74/13/68/570741368.db2.gz KPLGCGPWKRKNIK-UHFFFAOYSA-N 1 0 373.468 3.660 50 0 FHAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](CC(C)(C)C)C3)C2=O)c1 ZINC000012439965 570745397 /nfs/dbraw/zinc/74/53/97/570745397.db2.gz WPEVKYIIQCPANC-OAQYLSRUSA-N 1 0 362.489 3.695 50 0 FHAARO C/C=C(\C)C[N@H+]1CCC[C@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 ZINC000012441292 570745947 /nfs/dbraw/zinc/74/59/47/570745947.db2.gz LTZCTVOOLVYTGO-KZQGYNQESA-N 1 0 374.525 3.778 50 0 FHAARO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000012467651 570748233 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COc1ccc(N2C(=O)[C@@H](C[NH+]3CCCCC3)[C@@H]2c2ccccc2)cc1 ZINC000005720515 570856418 /nfs/dbraw/zinc/85/64/18/570856418.db2.gz LLCAMQMPRIAKTP-SFTDATJTSA-N 1 0 350.462 3.885 50 0 FHAARO COc1ccccc1CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000032930263 570869866 /nfs/dbraw/zinc/86/98/66/570869866.db2.gz POPWQFVBTSIXJW-GOSISDBHSA-N 1 0 366.505 3.929 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc(Br)c1)c1ccsc1 ZINC000032930972 570871707 /nfs/dbraw/zinc/87/17/07/570871707.db2.gz LYDMUWHIZMRHQD-AWEZNQCLSA-N 1 0 371.275 3.682 50 0 FHAARO CC(C)Oc1ccc(C(=O)N(CCc2ccccc2)CC[NH+](C)C)cc1 ZINC000032931124 570871769 /nfs/dbraw/zinc/87/17/69/570871769.db2.gz AQWQMFVPFZSZPJ-UHFFFAOYSA-N 1 0 354.494 3.720 50 0 FHAARO CCN(CC)c1ccc2cc(C(=O)NCc3ccc(C)cc3)c(=[NH2+])oc2c1 ZINC000006517578 570875500 /nfs/dbraw/zinc/87/55/00/570875500.db2.gz YGANQOJGFJEYLM-UHFFFAOYSA-N 1 0 363.461 3.997 50 0 FHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)NCc1cccc(F)c1F)C[C@@H](C)O2 ZINC000012099646 570889492 /nfs/dbraw/zinc/88/94/92/570889492.db2.gz HHOBDSKLYXMJKR-OAHLLOKOSA-N 1 0 374.431 3.563 50 0 FHAARO CC[N@@H+]1CCc2c3ccccc3[nH]c2[C@@H](c2ccccc2)[C@@H](C(=O)OC)C1 ZINC000025185038 570891270 /nfs/dbraw/zinc/89/12/70/570891270.db2.gz PCWVASSHYFDVBB-FPOVZHCZSA-N 1 0 362.473 3.967 50 0 FHAARO O=C(Cc1ccc2c(c1)CCC2)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000044719573 570899040 /nfs/dbraw/zinc/89/90/40/570899040.db2.gz CAPMIPCAZRFXHN-LJQANCHMSA-N 1 0 354.519 3.733 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000045233601 570906736 /nfs/dbraw/zinc/90/67/36/570906736.db2.gz IOBQKYOUIHYHFR-QGZVFWFLSA-N 1 0 365.518 3.782 50 0 FHAARO CCC[N@@H+]1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000020536826 570919349 /nfs/dbraw/zinc/91/93/49/570919349.db2.gz IUGDWYCKZRIDQG-GOSISDBHSA-N 1 0 355.448 3.702 50 0 FHAARO CCCCc1nn2c(nc(C[N@H+](CC)Cc3ccccc3)cc2=O)s1 ZINC000046032170 570920664 /nfs/dbraw/zinc/92/06/64/570920664.db2.gz KCVSFSRNIVKBCV-UHFFFAOYSA-N 1 0 356.495 3.516 50 0 FHAARO NC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccccc2)C2CCCCC2)cc1 ZINC000047659365 570929397 /nfs/dbraw/zinc/92/93/97/570929397.db2.gz UNMMPVZTWOBNDT-UHFFFAOYSA-N 1 0 365.477 3.559 50 0 FHAARO COc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cn1 ZINC000048230738 570938396 /nfs/dbraw/zinc/93/83/96/570938396.db2.gz XUWQGVAEOVSKNH-MRXNPFEDSA-N 1 0 374.510 3.746 50 0 FHAARO O=c1[nH]c2ccccc2n1C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000072109000 570942954 /nfs/dbraw/zinc/94/29/54/570942954.db2.gz VNSQNNPGGZXQAN-UHFFFAOYSA-N 1 0 369.440 3.575 50 0 FHAARO COc1ccc2ccccc2c1CN1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000022852920 570951672 /nfs/dbraw/zinc/95/16/72/570951672.db2.gz JLYRPGKRQKFBNT-HXUWFJFHSA-N 1 0 368.521 3.660 50 0 FHAARO COc1ccc2ccccc2c1CN1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000023130587 570957021 /nfs/dbraw/zinc/95/70/21/570957021.db2.gz JLYRPGKRQKFBNT-FQEVSTJZSA-N 1 0 368.521 3.660 50 0 FHAARO Cc1[nH]c2c(cccc2C)c1C[NH+]1CCC(c2cc(=O)[nH]c(C)n2)CC1 ZINC000023192012 570959292 /nfs/dbraw/zinc/95/92/92/570959292.db2.gz LJOJHZICERDBOA-UHFFFAOYSA-N 1 0 350.466 3.556 50 0 FHAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000023249334 570961052 /nfs/dbraw/zinc/96/10/52/570961052.db2.gz FWANGFMIFGHTSR-RTBURBONSA-N 1 0 374.525 3.518 50 0 FHAARO CC(=O)Nc1ccc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC000023359188 570962219 /nfs/dbraw/zinc/96/22/19/570962219.db2.gz GKSOEQNFOIAVKL-QHCPKHFHSA-N 1 0 365.521 3.784 50 0 FHAARO Cn1c2ccccc2nc1CN1CCC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000023375261 570962765 /nfs/dbraw/zinc/96/27/65/570962765.db2.gz JTSNHBSUZZFHMH-FQEVSTJZSA-N 1 0 362.521 3.712 50 0 FHAARO O=C(CCc1ccccc1O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023957180 570969560 /nfs/dbraw/zinc/96/95/60/570969560.db2.gz JOSUQJVHPAIOMX-UHFFFAOYSA-N 1 0 374.484 3.822 50 0 FHAARO Oc1ccc(C2=CC[N@H+](C[C@@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000025062057 570990145 /nfs/dbraw/zinc/99/01/45/570990145.db2.gz ZNFZVEJZNJRUAW-HXUWFJFHSA-N 1 0 373.880 3.712 50 0 FHAARO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)C2CC2)cc1 ZINC000072242344 570997451 /nfs/dbraw/zinc/99/74/51/570997451.db2.gz UPERYMFWBACBCB-QGCDCVKKSA-N 1 0 356.510 3.917 50 0 FHAARO COc1ccc2nc(C)c(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)cc2c1 ZINC000025814036 571000490 /nfs/dbraw/zinc/00/04/90/571000490.db2.gz IRDFBESCTHFLFU-LJQANCHMSA-N 1 0 369.490 3.646 50 0 FHAARO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000027663906 571018117 /nfs/dbraw/zinc/01/81/17/571018117.db2.gz YPLQKMYDQAHHMP-HNNXBMFYSA-N 1 0 364.898 3.977 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000027793212 571021270 /nfs/dbraw/zinc/02/12/70/571021270.db2.gz JLTGRBMBTMIVMK-HXUWFJFHSA-N 1 0 372.896 3.981 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)COc1ccccc1Cl)c1ccccc1 ZINC000028291897 571030355 /nfs/dbraw/zinc/03/03/55/571030355.db2.gz ZXSDJCGRAGHYLU-GOSISDBHSA-N 1 0 360.885 3.918 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2cc1O)c1cccc(F)c1 ZINC000029836724 571044050 /nfs/dbraw/zinc/04/40/50/571044050.db2.gz JXGSBDPJAIBMGB-LJQANCHMSA-N 1 0 352.409 3.717 50 0 FHAARO O=C([C@H]1CCC[N@@H+](Cc2ccccc2F)C1)N1CCc2ccccc2C1 ZINC000001275931 571045484 /nfs/dbraw/zinc/04/54/84/571045484.db2.gz UFFZQDPZWYJGEY-FQEVSTJZSA-N 1 0 352.453 3.623 50 0 FHAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000083847973 571053144 /nfs/dbraw/zinc/05/31/44/571053144.db2.gz LHXPXXVXZQEZPX-IMJJTQAJSA-N 1 0 354.416 3.752 50 0 FHAARO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cc(C2CC2)no1 ZINC000225665178 571053981 /nfs/dbraw/zinc/05/39/81/571053981.db2.gz HBIZGCCNNDSGMZ-UHFFFAOYSA-N 1 0 373.884 3.847 50 0 FHAARO CCCOc1ccc2[nH]c(C)c(C[N@H+](C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008717143 571056880 /nfs/dbraw/zinc/05/68/80/571056880.db2.gz VGRRGISYSMNGKU-UHFFFAOYSA-N 1 0 357.498 3.564 50 0 FHAARO COCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000033018696 571061226 /nfs/dbraw/zinc/06/12/26/571061226.db2.gz LGKAPWZUTGNVMO-UHFFFAOYSA-N 1 0 371.408 3.589 50 0 FHAARO COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000008869947 571063733 /nfs/dbraw/zinc/06/37/33/571063733.db2.gz PQIWCGNOOOQFKI-IBGZPJMESA-N 1 0 358.869 3.916 50 0 FHAARO C[C@H]1C[C@H](N(C)C(=O)c2cc(C3CC3)on2)CC[N@@H+]1Cc1ccccc1 ZINC000172411872 571064110 /nfs/dbraw/zinc/06/41/10/571064110.db2.gz DDGLSCJMFOJKDB-MAUKXSAKSA-N 1 0 353.466 3.677 50 0 FHAARO CCCc1ncc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000172789229 571066564 /nfs/dbraw/zinc/06/65/64/571066564.db2.gz JTVAPXRKLFXSLV-UHFFFAOYSA-N 1 0 357.523 3.533 50 0 FHAARO COc1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)cc1Cl ZINC000040023754 571068559 /nfs/dbraw/zinc/06/85/59/571068559.db2.gz GBRMHSDZGYVLDL-UHFFFAOYSA-N 1 0 369.893 3.788 50 0 FHAARO COc1cc(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c(OC)cc1Cl ZINC000040023971 571068605 /nfs/dbraw/zinc/06/86/05/571068605.db2.gz MQCYSTIGVABESI-ZDUSSCGKSA-N 1 0 369.893 3.743 50 0 FHAARO COc1cccc(C[N@H+](C)CCC(=O)Nc2ccc3c(c2)CCC3)c1OC ZINC000040025007 571069126 /nfs/dbraw/zinc/06/91/26/571069126.db2.gz HQYXWIMGHQWQAU-UHFFFAOYSA-N 1 0 368.477 3.653 50 0 FHAARO CC(C)(C)c1n[nH]cc1C[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000068980471 571071737 /nfs/dbraw/zinc/07/17/37/571071737.db2.gz VMEXIRVSYRPVTE-UHFFFAOYSA-N 1 0 359.861 3.743 50 0 FHAARO COc1cnc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000225850457 571074450 /nfs/dbraw/zinc/07/44/50/571074450.db2.gz LLFZPFBXNAVXPR-CQSZACIVSA-N 1 0 374.510 3.705 50 0 FHAARO CC[C@H](C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000040089803 571074814 /nfs/dbraw/zinc/07/48/14/571074814.db2.gz BAOVIIWMMHTYKG-QFIPXVFZSA-N 1 0 365.521 3.956 50 0 FHAARO COc1ccccc1CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000040107142 571078114 /nfs/dbraw/zinc/07/81/14/571078114.db2.gz OIQDRHMAHCTPNW-SFHVURJKSA-N 1 0 366.505 3.929 50 0 FHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)CCc3cccc(F)c3)cc2)CC1 ZINC000040107963 571078222 /nfs/dbraw/zinc/07/82/22/571078222.db2.gz FCOXGKGTCNHYRZ-UHFFFAOYSA-N 1 0 369.484 3.535 50 0 FHAARO COc1cccc(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000040142740 571084516 /nfs/dbraw/zinc/08/45/16/571084516.db2.gz ALVUWWBLHFDZCR-OAQYLSRUSA-N 1 0 366.505 3.898 50 0 FHAARO COc1ccc2cc(C[N@@H+]3CCC[C@@H](c4nc(C)no4)C3)c(Cl)nc2c1 ZINC000040156382 571087595 /nfs/dbraw/zinc/08/75/95/571087595.db2.gz ZWFFYPXLIDQBTN-CQSZACIVSA-N 1 0 372.856 3.968 50 0 FHAARO C[NH+]1CCC(CC(=O)N[C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)CC1 ZINC000039466844 571089291 /nfs/dbraw/zinc/08/92/91/571089291.db2.gz CRUJUXDNAKTYBK-KRWDZBQOSA-N 1 0 372.557 3.636 50 0 FHAARO COc1ccc(/C=C/CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)cc1 ZINC000039438027 571089297 /nfs/dbraw/zinc/08/92/97/571089297.db2.gz JPPZZORWFWKHCI-QNBZTBGESA-N 1 0 372.553 3.657 50 0 FHAARO C[NH+]1CCC(CC(=O)N[C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)CC1 ZINC000039466842 571089394 /nfs/dbraw/zinc/08/93/94/571089394.db2.gz CRUJUXDNAKTYBK-QGZVFWFLSA-N 1 0 372.557 3.636 50 0 FHAARO Cc1cccc(COc2ccc(C[NH2+]CCCN3CCCC3=O)cc2)c1 ZINC000040722671 571093070 /nfs/dbraw/zinc/09/30/70/571093070.db2.gz FQSDYPSUUVOCQE-UHFFFAOYSA-N 1 0 352.478 3.676 50 0 FHAARO C[NH+](C)CCCn1cnc2oc(-c3ccco3)c(-c3ccco3)c2c1=N ZINC000009050708 571093879 /nfs/dbraw/zinc/09/38/79/571093879.db2.gz FMRIWUJXTDOLNI-UHFFFAOYSA-N 1 0 352.394 3.580 50 0 FHAARO COc1cccc(C[NH2+]C(C)(C)C)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734559 571094958 /nfs/dbraw/zinc/09/49/58/571094958.db2.gz BMXDSLAHWSZXNS-UHFFFAOYSA-N 1 0 356.466 3.909 50 0 FHAARO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229605418 571094994 /nfs/dbraw/zinc/09/49/94/571094994.db2.gz SBGWHPOFIKDNMN-UBHSHLNASA-N 1 0 357.281 3.504 50 0 FHAARO CCC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1 ZINC000040737934 571095189 /nfs/dbraw/zinc/09/51/89/571095189.db2.gz GRICEWCUQSZBGP-UHFFFAOYSA-N 1 0 356.466 3.911 50 0 FHAARO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000009155025 571099481 /nfs/dbraw/zinc/09/94/81/571099481.db2.gz PFYXUAQPLXKUFG-UHFFFAOYSA-N 1 0 365.477 3.561 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)CC1 ZINC000009368631 571106972 /nfs/dbraw/zinc/10/69/72/571106972.db2.gz FQQOCTLHIOBCIB-UHFFFAOYSA-N 1 0 369.534 3.868 50 0 FHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2Cl)CC1 ZINC000009471037 571110210 /nfs/dbraw/zinc/11/02/10/571110210.db2.gz XVBBVEJRVVSCCW-UHFFFAOYSA-N 1 0 364.276 3.998 50 0 FHAARO O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000241809992 571110603 /nfs/dbraw/zinc/11/06/03/571110603.db2.gz SCFUTXMZQFWOKF-VQTJNVASSA-N 1 0 365.477 3.821 50 0 FHAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c(Br)c1OC ZINC000242106250 571110821 /nfs/dbraw/zinc/11/08/21/571110821.db2.gz WIEGUIIHYHHGKS-TZMCWYRMSA-N 1 0 372.303 3.592 50 0 FHAARO CCc1nc(CNC(=O)Nc2ccc(CC[NH+](CC)CC)cc2)cs1 ZINC000242100042 571110966 /nfs/dbraw/zinc/11/09/66/571110966.db2.gz WDWBWAVSRXBYRC-UHFFFAOYSA-N 1 0 360.527 3.912 50 0 FHAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1cc(-c2cccnc2)no1 ZINC000243893572 571112301 /nfs/dbraw/zinc/11/23/01/571112301.db2.gz ASLLSDQEUGSOAO-GOSISDBHSA-N 1 0 351.454 3.686 50 0 FHAARO CN(Cc1c[nH]nc1-c1ccccc1)c1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000243901015 571112717 /nfs/dbraw/zinc/11/27/17/571112717.db2.gz AYMICDMZSJZCCC-SAABIXHNSA-N 1 0 374.492 3.585 50 0 FHAARO Cc1ccc2[nH]c3c(ncn(CCC[N@H+]4C[C@H](C)C[C@H](C)C4)c3=O)c2c1 ZINC000005152206 571114508 /nfs/dbraw/zinc/11/45/08/571114508.db2.gz ZWMIOKQQIXEMDC-IYBDPMFKSA-N 1 0 352.482 3.554 50 0 FHAARO O=C(CC[NH+]1CCC(c2cccc(O)c2)CC1)NCc1cccc(Cl)c1 ZINC000244724056 571115460 /nfs/dbraw/zinc/11/54/60/571115460.db2.gz MMUMAAFSQQZNKM-UHFFFAOYSA-N 1 0 372.896 3.932 50 0 FHAARO CC(C)Oc1ccccc1OCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000244719046 571115476 /nfs/dbraw/zinc/11/54/76/571115476.db2.gz LVYZGUIIMUOIPF-UHFFFAOYSA-N 1 0 373.468 3.975 50 0 FHAARO Cc1nccn1CCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000244795671 571117382 /nfs/dbraw/zinc/11/73/82/571117382.db2.gz RLMUSEAHJVBCMO-SFHVURJKSA-N 1 0 351.454 3.511 50 0 FHAARO Fc1ccc(N2CCC[N@H+](Cc3cc(-c4ccncc4)no3)CC2)cc1 ZINC000244816858 571117720 /nfs/dbraw/zinc/11/77/20/571117720.db2.gz SPSJTUQWERMXRX-UHFFFAOYSA-N 1 0 352.413 3.588 50 0 FHAARO COc1ccc(C[N@H+](C)C[C@H]2CC(c3ccccc3)=NO2)c2cccnc12 ZINC000244866370 571117873 /nfs/dbraw/zinc/11/78/73/571117873.db2.gz VUVXGJLCEZOBCX-GOSISDBHSA-N 1 0 361.445 3.868 50 0 FHAARO O=C(CC[N@@H+]1CCCC[C@H]1c1ccccn1)NCc1cccc(Cl)c1 ZINC000244866389 571118136 /nfs/dbraw/zinc/11/81/36/571118136.db2.gz VVJTXZJYKVVHQK-IBGZPJMESA-N 1 0 357.885 3.969 50 0 FHAARO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(c3cccc(O)c3)CC2)cc1 ZINC000244899573 571119750 /nfs/dbraw/zinc/11/97/50/571119750.db2.gz ZMEAFDVPUXVPHF-QGZVFWFLSA-N 1 0 352.478 3.757 50 0 FHAARO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cc(=O)n3ccsc3n2)cc1 ZINC000009913997 571120841 /nfs/dbraw/zinc/12/08/41/571120841.db2.gz AWTKPJCACNPHSN-SFHVURJKSA-N 1 0 369.490 3.882 50 0 FHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2c(C)nn(C)c2s1 ZINC000010140999 571123011 /nfs/dbraw/zinc/12/30/11/571123011.db2.gz NQNOPTLBXMAJPS-UHFFFAOYSA-N 1 0 370.522 3.715 50 0 FHAARO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000010227380 571123877 /nfs/dbraw/zinc/12/38/77/571123877.db2.gz JWDGLKJAHHKIRI-FOIQADDNSA-N 1 0 356.441 3.849 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Br)c1ccc(F)cc1 ZINC000010329687 571125245 /nfs/dbraw/zinc/12/52/45/571125245.db2.gz DLRKTRLASYGZRX-INIZCTEOSA-N 1 0 365.246 3.621 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2Br)[NH+](C)C)cc1 ZINC000010328906 571125296 /nfs/dbraw/zinc/12/52/96/571125296.db2.gz PMLJANYOAVCJIQ-QGZVFWFLSA-N 1 0 361.283 3.790 50 0 FHAARO O[C@@H](COCC12CC3CC(CC(C3)C1)C2)C[N@@H+]1CCc2ccccc2C1 ZINC000010383906 571125844 /nfs/dbraw/zinc/12/58/44/571125844.db2.gz FYYQTGORKBBAOL-SCBMRQJBSA-N 1 0 355.522 3.639 50 0 FHAARO O=C(C[N@@H+]1CCC[C@@H]1C1CCCCC1)NCc1ccc(OC(F)F)cc1 ZINC000071811016 571126144 /nfs/dbraw/zinc/12/61/44/571126144.db2.gz HJJCNFQVUNPCRM-GOSISDBHSA-N 1 0 366.452 3.949 50 0 FHAARO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000071850155 571127174 /nfs/dbraw/zinc/12/71/74/571127174.db2.gz DGKJKTBPFBOJKW-LJQANCHMSA-N 1 0 368.525 3.863 50 0 FHAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000085879147 571127490 /nfs/dbraw/zinc/12/74/90/571127490.db2.gz UOVDWAMJYCHVQU-HNAYVOBHSA-N 1 0 372.900 3.724 50 0 FHAARO Cc1ccc(Cn2nc(C[NH2+]C[C@@H]3CCCO3)c(-c3ccccc3)n2)cc1 ZINC000248092946 571127584 /nfs/dbraw/zinc/12/75/84/571127584.db2.gz LXFKQBUGKCUDJF-FQEVSTJZSA-N 1 0 362.477 3.570 50 0 FHAARO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cc(-c2cnn(C)c2C)no1 ZINC000184486879 571128127 /nfs/dbraw/zinc/12/81/27/571128127.db2.gz XNUZUMHGQKCMTR-QGZVFWFLSA-N 1 0 366.465 3.599 50 0 FHAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)nc2ccccc21 ZINC000249692793 571128932 /nfs/dbraw/zinc/12/89/32/571128932.db2.gz NCDNLZMPFMHUPT-QGZVFWFLSA-N 1 0 362.477 3.907 50 0 FHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(-c2nnco2)cc1 ZINC000012879405 571137510 /nfs/dbraw/zinc/13/75/10/571137510.db2.gz NRLCILXWDKYMCX-UHFFFAOYSA-N 1 0 368.481 3.655 50 0 FHAARO COc1ccc(OC)c([C@H](C)NC(=O)CN2CCc3sccc3[C@H]2C)c1 ZINC000035262652 571138476 /nfs/dbraw/zinc/13/84/76/571138476.db2.gz ICFAJLMCRGTFSB-UONOGXRCSA-N 1 0 374.506 3.562 50 0 FHAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](CC2CCC2)CC1 ZINC000067539804 571146982 /nfs/dbraw/zinc/14/69/82/571146982.db2.gz VOSLDJFWCUCQNZ-UHFFFAOYSA-N 1 0 368.481 3.581 50 0 FHAARO COCCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669588 571147555 /nfs/dbraw/zinc/14/75/55/571147555.db2.gz KHOMTMIIGQZDQS-CTNGQTDRSA-N 1 0 370.468 3.542 50 0 FHAARO CCCn1nc(-c2cc(C)sc2C)cc1C(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC000034902485 571147727 /nfs/dbraw/zinc/14/77/27/571147727.db2.gz CFZVORNGVGEEAI-INIZCTEOSA-N 1 0 374.554 3.853 50 0 FHAARO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000075110921 571156171 /nfs/dbraw/zinc/15/61/71/571156171.db2.gz UMVHXRXVVQSSHJ-NRFANRHFSA-N 1 0 370.449 3.739 50 0 FHAARO Cn1cc([C@@H](CNC(=O)c2cc3ccccc3o2)[NH+](C)C)c2ccccc21 ZINC000075149174 571156935 /nfs/dbraw/zinc/15/69/35/571156935.db2.gz IFRUZKKJWPPKRE-LJQANCHMSA-N 1 0 361.445 3.957 50 0 FHAARO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cccc(C)c1 ZINC000004679083 571158796 /nfs/dbraw/zinc/15/87/96/571158796.db2.gz BQMPUKWLMAZOTD-UHFFFAOYSA-N 1 0 365.433 3.846 50 0 FHAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccccc1OC ZINC000004679266 571158873 /nfs/dbraw/zinc/15/88/73/571158873.db2.gz YOEDZXVMVVPBKL-UHFFFAOYSA-N 1 0 355.413 3.956 50 0 FHAARO CC(C)(C)c1ccc(NC(=O)NCC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000575605277 571163470 /nfs/dbraw/zinc/16/34/70/571163470.db2.gz CJVVAFHSLZOQCZ-IBGZPJMESA-N 1 0 359.514 3.607 50 0 FHAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3ccc(OCc4ccccn4)cc3)C2)n1 ZINC000072120649 571170003 /nfs/dbraw/zinc/17/00/03/571170003.db2.gz RMLMGHLHMVPQHK-OAQYLSRUSA-N 1 0 362.477 3.921 50 0 FHAARO CN(C)C(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000072121716 571170075 /nfs/dbraw/zinc/17/00/75/571170075.db2.gz OYORCOSYBYORAF-SFHVURJKSA-N 1 0 351.494 3.829 50 0 FHAARO Fc1ccccc1CN1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000072128109 571170649 /nfs/dbraw/zinc/17/06/49/571170649.db2.gz TXXJHGFIJRMGTG-UHFFFAOYSA-N 1 0 364.468 3.719 50 0 FHAARO CO[C@@H]1c2ccccc2C2(CC[NH+](CCCOc3ccccc3)CC2)[C@H]1O ZINC000072128313 571170721 /nfs/dbraw/zinc/17/07/21/571170721.db2.gz BFPWQHNZTHULKV-YADHBBJMSA-N 1 0 367.489 3.551 50 0 FHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)o1 ZINC000072129106 571170780 /nfs/dbraw/zinc/17/07/80/571170780.db2.gz CJHVJYYPUMHFQL-AWEZNQCLSA-N 1 0 362.420 3.762 50 0 FHAARO Cn1c(C[N@@H+]2CCC[C@@H](OCc3ccccn3)C2)cc2cc(F)ccc21 ZINC000072129708 571171183 /nfs/dbraw/zinc/17/11/83/571171183.db2.gz KFWUVHXNCNFEMZ-HXUWFJFHSA-N 1 0 353.441 3.894 50 0 FHAARO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2c(C)cc(C)cc2-n2cccn2)C1 ZINC000072138834 571171746 /nfs/dbraw/zinc/17/17/46/571171746.db2.gz QICXVGHMNSPHQG-HXUWFJFHSA-N 1 0 363.509 3.906 50 0 FHAARO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000012533897 571175463 /nfs/dbraw/zinc/17/54/63/571175463.db2.gz JSLVRTSJDMQJMU-PKOBYXMFSA-N 1 0 369.534 3.622 50 0 FHAARO Cc1cccc2[nH]c(C3CC[NH+](Cc4cccc(OCCO)c4)CC3)nc21 ZINC000072162588 571176105 /nfs/dbraw/zinc/17/61/05/571176105.db2.gz BJDFJXQJNBMQHP-UHFFFAOYSA-N 1 0 365.477 3.622 50 0 FHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)o1 ZINC000072165561 571176666 /nfs/dbraw/zinc/17/66/66/571176666.db2.gz HHHFASWKOHKWHZ-OAHLLOKOSA-N 1 0 362.420 3.762 50 0 FHAARO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000072165572 571176767 /nfs/dbraw/zinc/17/67/67/571176767.db2.gz DZICXMBPGRYONK-LJQANCHMSA-N 1 0 361.493 3.869 50 0 FHAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2N(C)C)C1 ZINC000229767377 571178072 /nfs/dbraw/zinc/17/80/72/571178072.db2.gz VKBNHXRZQXTXJM-FUHWJXTLSA-N 1 0 352.482 3.710 50 0 FHAARO O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1cc2ccccc2oc1=O ZINC000090607229 571179836 /nfs/dbraw/zinc/17/98/36/571179836.db2.gz MMZORJSMWSYNIT-UHFFFAOYSA-N 1 0 371.396 3.855 50 0 FHAARO C[NH+]1CCN(Cc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000035598062 571182720 /nfs/dbraw/zinc/18/27/20/571182720.db2.gz WGQSQESVCBGODR-UHFFFAOYSA-N 1 0 358.873 3.731 50 0 FHAARO CCCc1ncncc1C(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1 ZINC000072420456 571192953 /nfs/dbraw/zinc/19/29/53/571192953.db2.gz XBJIOCYUGSLVII-UHFFFAOYSA-N 1 0 358.530 3.690 50 0 FHAARO Cc1nccnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000072420013 571192966 /nfs/dbraw/zinc/19/29/66/571192966.db2.gz BQCYMEWNJKOWKE-FQEVSTJZSA-N 1 0 358.436 3.556 50 0 FHAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@H](OCc3ccccn3)C2)cc1 ZINC000072421492 571193222 /nfs/dbraw/zinc/19/32/22/571193222.db2.gz QGOMCDXXUCAVTP-QFIPXVFZSA-N 1 0 368.521 3.966 50 0 FHAARO CCC(CC)C[N@@H+]1CCc2nc[nH]c2[C@H]1c1cc2ccccc2n(C)c1=O ZINC000072422895 571193681 /nfs/dbraw/zinc/19/36/81/571193681.db2.gz YBVKSZBWBYSCKI-OAQYLSRUSA-N 1 0 364.493 3.645 50 0 FHAARO CCN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(-c2nc(C)c(C)s2)c1 ZINC000299764775 571194331 /nfs/dbraw/zinc/19/43/31/571194331.db2.gz FFJNKZMWPQCLST-INIZCTEOSA-N 1 0 357.523 3.841 50 0 FHAARO C[C@@H](C1CCN(C(=O)c2ccc(CCC(C)(C)O)cc2)CC1)[NH+]1CCCC1 ZINC000072427111 571194788 /nfs/dbraw/zinc/19/47/88/571194788.db2.gz PHFOWXOGWFSVJY-SFHVURJKSA-N 1 0 372.553 3.727 50 0 FHAARO Cc1ccc2cc(C[N@@H+]3CCC[C@@](O)(CO)C3)c(-c3cccs3)nc2c1 ZINC000072428118 571194832 /nfs/dbraw/zinc/19/48/32/571194832.db2.gz OULMRGPQIROQQZ-NRFANRHFSA-N 1 0 368.502 3.591 50 0 FHAARO C[N@@H+]1CCCC2(CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)CC2)CC1 ZINC000072447080 571196988 /nfs/dbraw/zinc/19/69/88/571196988.db2.gz MGCBTUBOPIXHDJ-UHFFFAOYSA-N 1 0 372.553 3.728 50 0 FHAARO CN1C[C@@]2(CCC[N@H+](Cc3cccc(Oc4ccccc4)c3)C2)OC1=O ZINC000072479579 571199815 /nfs/dbraw/zinc/19/98/15/571199815.db2.gz YPRYSJFQQLVCIR-OAQYLSRUSA-N 1 0 352.434 3.896 50 0 FHAARO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000075552505 571199956 /nfs/dbraw/zinc/19/99/56/571199956.db2.gz IFNDZYPMKJWRBP-CQSZACIVSA-N 1 0 356.499 3.690 50 0 FHAARO CCCOc1cccc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000534580927 571204904 /nfs/dbraw/zinc/20/49/04/571204904.db2.gz DDNKMEHUKYHMRI-LJQANCHMSA-N 1 0 359.514 3.635 50 0 FHAARO O[C@@H]1COCC[N@H+](Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000077301377 571207091 /nfs/dbraw/zinc/20/70/91/571207091.db2.gz VKIKIYMLKYTJHK-INIZCTEOSA-N 1 0 367.367 3.691 50 0 FHAARO Cc1csc(CNC(=O)c2ccc(-c3ccc(C[NH+](C)C)cn3)cc2)n1 ZINC000534637788 571207237 /nfs/dbraw/zinc/20/72/37/571207237.db2.gz IVKXNOUUBRJAQV-UHFFFAOYSA-N 1 0 366.490 3.505 50 0 FHAARO O=C(c1cccc2ncccc21)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077343060 571208460 /nfs/dbraw/zinc/20/84/60/571208460.db2.gz CQOBCTDPMDREHV-UHFFFAOYSA-N 1 0 371.484 3.550 50 0 FHAARO CC[C@H](C)[NH2+]C[C@@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000006553079 571209248 /nfs/dbraw/zinc/20/92/48/571209248.db2.gz CIBXAFWEOIRJJM-QFBILLFUSA-N 1 0 373.493 3.559 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cnn3ccccc23)cc1 ZINC000077439099 571211706 /nfs/dbraw/zinc/21/17/06/571211706.db2.gz BWTUMHVPKQCPFI-HXUWFJFHSA-N 1 0 362.477 3.763 50 0 FHAARO COc1cccc2ccc(C[N@@H+]3CCCC[C@H]3CCn3cccn3)nc21 ZINC000077469804 571212492 /nfs/dbraw/zinc/21/24/92/571212492.db2.gz KSEKNHMIMGKBGP-IBGZPJMESA-N 1 0 350.466 3.885 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)Cc2ccc(CO)cc2)cc1 ZINC000077535133 571214767 /nfs/dbraw/zinc/21/47/67/571214767.db2.gz HHLIUPDSDOEOJX-JOCHJYFZSA-N 1 0 366.505 3.537 50 0 FHAARO CN(Cc1ccccc1C(F)(F)F)C(=O)NCC[C@@H]1CCCC[N@@H+]1C ZINC000426373637 571216535 /nfs/dbraw/zinc/21/65/35/571216535.db2.gz ONVDGLFYPVEASP-HNNXBMFYSA-N 1 0 357.420 3.721 50 0 FHAARO Cn1ccnc1[C@@H](NCCc1cn2ccccc2n1)c1ccccc1Cl ZINC000097236450 571216863 /nfs/dbraw/zinc/21/68/63/571216863.db2.gz ZXAWHYPVPYIQSY-IBGZPJMESA-N 1 0 365.868 3.643 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cccc(Cl)c3Cl)[C@H]1C[C@@H](OCCO)CC2 ZINC000426381470 571217508 /nfs/dbraw/zinc/21/75/08/571217508.db2.gz PBBOZOZTMYEEFM-QILLFSRXSA-N 1 0 374.308 3.514 50 0 FHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2onc3c2CCCC3)cc1 ZINC000426443316 571225669 /nfs/dbraw/zinc/22/56/69/571225669.db2.gz MZLCTAVRJZSMCO-FQEVSTJZSA-N 1 0 367.493 3.982 50 0 FHAARO COc1ccc(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2)c(C)c1 ZINC000426443024 571225756 /nfs/dbraw/zinc/22/57/56/571225756.db2.gz BDXWFMYCKXGTNT-VQTJNVASSA-N 1 0 364.489 3.979 50 0 FHAARO CC[C@H](c1cccnc1)N(C)C(=O)NC1(C[NH+]2CCCC2)CCCCC1 ZINC000426445690 571226406 /nfs/dbraw/zinc/22/64/06/571226406.db2.gz WLRUSAWDXHLLSW-LJQANCHMSA-N 1 0 358.530 3.973 50 0 FHAARO Cc1c(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)[nH]c2ccccc12 ZINC000082099463 571228114 /nfs/dbraw/zinc/22/81/14/571228114.db2.gz FQYWTWJSVVQMCJ-UHFFFAOYSA-N 1 0 360.461 3.875 50 0 FHAARO c1cnn(-c2ccccc2C[N@H+]2CCC[C@H](c3nccn3CC3CC3)C2)c1 ZINC000082099812 571228416 /nfs/dbraw/zinc/22/84/16/571228416.db2.gz NCDYMMOTTIDWJJ-FQEVSTJZSA-N 1 0 361.493 3.858 50 0 FHAARO Cc1ccc(C)c(C[NH+]2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)c1 ZINC000082121544 571228816 /nfs/dbraw/zinc/22/88/16/571228816.db2.gz ZCZHPKNHSWQVEE-UHFFFAOYSA-N 1 0 367.541 3.671 50 0 FHAARO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(-c2ccc(C)nn2)cc1 ZINC000426518897 571229993 /nfs/dbraw/zinc/22/99/93/571229993.db2.gz CQCORPNGCUQFSU-UHFFFAOYSA-N 1 0 366.509 3.790 50 0 FHAARO Cn1ccnc1[C@H](NC(=O)c1cccc(C[NH+]2CCCCCC2)c1)C1CC1 ZINC000426531560 571230572 /nfs/dbraw/zinc/23/05/72/571230572.db2.gz IBGMFQQEYHOMDN-HXUWFJFHSA-N 1 0 366.509 3.677 50 0 FHAARO COc1cccc([C@@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000426563484 571231816 /nfs/dbraw/zinc/23/18/16/571231816.db2.gz PYNUXTGKQVCXTG-YLJYHZDGSA-N 1 0 367.493 3.672 50 0 FHAARO CC(C)(C)[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(-c2cccc(N)n2)c1 ZINC000426598923 571233070 /nfs/dbraw/zinc/23/30/70/571233070.db2.gz POBKXXDAKYZMNC-LJQANCHMSA-N 1 0 366.509 3.571 50 0 FHAARO CC[C@H](c1cccnc1)N(C)C(=O)c1ccc(OCCC[NH3+])c(Cl)c1 ZINC000426612937 571233293 /nfs/dbraw/zinc/23/32/93/571233293.db2.gz SLSZXBJHSSABSJ-QGZVFWFLSA-N 1 0 361.873 3.686 50 0 FHAARO CC(=O)c1ccc(F)c(-c2ccc(C(=O)NC[C@@H]3CCCC[N@H+]3C)cc2)c1 ZINC000426662230 571234540 /nfs/dbraw/zinc/23/45/40/571234540.db2.gz NFJAHBOGXGGYNI-IBGZPJMESA-N 1 0 368.452 3.909 50 0 FHAARO CSc1ccc(-c2ccc(C(=O)N3C[C@H]4[C@H](C[NH+](C)C)[C@H]4C3)cc2)cc1 ZINC000426662004 571234634 /nfs/dbraw/zinc/23/46/34/571234634.db2.gz KOCXECHYPPXPDE-MZADTFQBSA-N 1 0 366.530 3.955 50 0 FHAARO OCCn1ccc([C@@H]2CCC[N@H+](Cc3cccc(-c4ccco4)c3)C2)n1 ZINC000426711121 571235995 /nfs/dbraw/zinc/23/59/95/571235995.db2.gz BOUGUIPGPNUXCQ-LJQANCHMSA-N 1 0 351.450 3.515 50 0 FHAARO CC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccc(C)s2)Cc2ccncc2)C1 ZINC000426739991 571236934 /nfs/dbraw/zinc/23/69/34/571236934.db2.gz ZKBGFINTEISBBB-GOSISDBHSA-N 1 0 372.538 3.505 50 0 FHAARO COc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095173 571240842 /nfs/dbraw/zinc/24/08/42/571240842.db2.gz BQEYTAHRBIMTCQ-LJQANCHMSA-N 1 0 373.493 3.602 50 0 FHAARO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccccc1C ZINC000036095969 571241036 /nfs/dbraw/zinc/24/10/36/571241036.db2.gz FMBIFRLIXLRIRE-IBGZPJMESA-N 1 0 373.493 3.664 50 0 FHAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COC(C)(C)C)c1 ZINC000036098296 571241115 /nfs/dbraw/zinc/24/11/15/571241115.db2.gz UIJCETSVHMEHOB-FQEVSTJZSA-N 1 0 357.494 3.873 50 0 FHAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COCc2ccco2)o1 ZINC000036097660 571241168 /nfs/dbraw/zinc/24/11/68/571241168.db2.gz YHBCEDQIFKNLRL-LJQANCHMSA-N 1 0 355.434 3.761 50 0 FHAARO O[C@@H](COCc1ccco1)C[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103321 571242108 /nfs/dbraw/zinc/24/21/08/571242108.db2.gz MILIEGVPDUHRFP-GOSISDBHSA-N 1 0 357.475 3.921 50 0 FHAARO CC(C)(C)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000091695050 571242536 /nfs/dbraw/zinc/24/25/36/571242536.db2.gz OSGSKBTVPWLRLQ-QGZVFWFLSA-N 1 0 372.557 3.778 50 0 FHAARO COc1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000091746398 571243296 /nfs/dbraw/zinc/24/32/96/571243296.db2.gz WWPOVJMDBHRPEZ-FXAWDEMLSA-N 1 0 368.452 3.571 50 0 FHAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)Nc1ccccc1F ZINC000006819339 571248180 /nfs/dbraw/zinc/24/81/80/571248180.db2.gz HGFROJKAUAYJOE-UHFFFAOYSA-N 1 0 359.420 3.999 50 0 FHAARO CCN(C(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1)C1=CCCCC1 ZINC000036391984 571252642 /nfs/dbraw/zinc/25/26/42/571252642.db2.gz NJYPRHAULWFPNE-KRWDZBQOSA-N 1 0 367.497 3.567 50 0 FHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000036394264 571252735 /nfs/dbraw/zinc/25/27/35/571252735.db2.gz BWDCGBNBKOTYGX-GOSISDBHSA-N 1 0 355.434 3.828 50 0 FHAARO C[NH+](C)Cc1ccccc1CNC(=O)CCc1nc2ccccc2s1 ZINC000006882022 571252893 /nfs/dbraw/zinc/25/28/93/571252893.db2.gz CVCBCQRQMSEJEM-UHFFFAOYSA-N 1 0 353.491 3.607 50 0 FHAARO COc1ccccc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000170062697 571261508 /nfs/dbraw/zinc/26/15/08/571261508.db2.gz YEFSBYVRKYWTQG-LCIZUOBNSA-N 1 0 360.404 3.596 50 0 FHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C)c(C)c1 ZINC000007374131 571264548 /nfs/dbraw/zinc/26/45/48/571264548.db2.gz BTENQHICBYPQQY-CTNGQTDRSA-N 1 0 370.518 3.608 50 0 FHAARO CC(C)[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000170592266 571266287 /nfs/dbraw/zinc/26/62/87/571266287.db2.gz CYYSYESDHIKTRQ-SXLOBPIMSA-N 1 0 360.542 3.995 50 0 FHAARO Cc1nc(CO[C@@H]2CC[N@H+](CCOc3ccccc3Cl)C2)cs1 ZINC000170599804 571266798 /nfs/dbraw/zinc/26/67/98/571266798.db2.gz MUUJGODOKBFUOW-OAHLLOKOSA-N 1 0 352.887 3.775 50 0 FHAARO CCOC(COc1ccccc1C[N@@H+]1CCC[C@H]1CSC)OCC ZINC000170601670 571267012 /nfs/dbraw/zinc/26/70/12/571267012.db2.gz IDKWZXRDEAHZQO-KRWDZBQOSA-N 1 0 353.528 3.792 50 0 FHAARO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000089920339 571274048 /nfs/dbraw/zinc/27/40/48/571274048.db2.gz KEYLEUDRBQUABH-CRAIPNDOSA-N 1 0 350.441 3.999 50 0 FHAARO CCCC[NH2+]CCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000002075044 571275665 /nfs/dbraw/zinc/27/56/65/571275665.db2.gz NCIPIAZJBCRONS-UHFFFAOYSA-N 1 0 352.500 3.522 50 0 FHAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCCCc1ccc(Br)cc1 ZINC000237585914 571277235 /nfs/dbraw/zinc/27/72/35/571277235.db2.gz QHLABEBVDIVDPB-XJKSGUPXSA-N 1 0 353.304 3.500 50 0 FHAARO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)Nc1cc(Cl)ccc1-n1cncn1 ZINC000007587825 571277767 /nfs/dbraw/zinc/27/77/67/571277767.db2.gz OVSPXCMOPYZHSQ-YOEHRIQHSA-N 1 0 373.888 3.514 50 0 FHAARO Cc1cc(NC(=O)Cc2ccc(Cl)cc2)cc(N2CC[NH+](C)CC2)c1 ZINC000252485366 571280383 /nfs/dbraw/zinc/28/03/83/571280383.db2.gz GSHAHYGNVHXSGQ-UHFFFAOYSA-N 1 0 357.885 3.581 50 0 FHAARO COc1cc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)ccc1C ZINC000252507607 571281485 /nfs/dbraw/zinc/28/14/85/571281485.db2.gz WPGCZSPSIBETPS-UHFFFAOYSA-N 1 0 359.514 3.600 50 0 FHAARO CC[C@@H](C(=O)NCC1CC[NH+](C2CCSCC2)CC1)c1ccccc1 ZINC000252572608 571283653 /nfs/dbraw/zinc/28/36/53/571283653.db2.gz ZMOFMUCVSCEMKM-HXUWFJFHSA-N 1 0 360.567 3.904 50 0 FHAARO CC[S@](=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000253370737 571311767 /nfs/dbraw/zinc/31/17/67/571311767.db2.gz VGUWOGSHGBAHRI-JOWJHRDDSA-N 1 0 363.445 3.797 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2nc(C)nc3ccccc32)cc1 ZINC000584892954 571314958 /nfs/dbraw/zinc/31/49/58/571314958.db2.gz FMGPTEFNUWQEBF-IBGZPJMESA-N 1 0 374.488 3.819 50 0 FHAARO CCN1CCO[C@@H](CNC(=O)Nc2cscc2C)[C@@H]1c1ccccc1 ZINC000585101459 571320567 /nfs/dbraw/zinc/32/05/67/571320567.db2.gz SZIAUEZVCKGCNE-ROUUACIJSA-N 1 0 359.495 3.640 50 0 FHAARO CCSc1nc2sc3c(c2c(NCC[NH+](C)C)n1)CC(C)(C)OC3 ZINC000002401441 571321406 /nfs/dbraw/zinc/32/14/06/571321406.db2.gz VANYINQECGLBKL-UHFFFAOYSA-N 1 0 366.556 3.628 50 0 FHAARO C[C@H]([NH2+]CC1(c2ccccc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000079015263 571326604 /nfs/dbraw/zinc/32/66/04/571326604.db2.gz LBNOIYPUMFXBDE-UGKGYDQZSA-N 1 0 350.506 3.770 50 0 FHAARO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000079111194 571327097 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Cc1ccc(CNC(=O)c2ccc3c(c2)C[N@H+](CC(C)C)CCO3)cc1 ZINC000675010508 943604730 /nfs/dbraw/zinc/60/47/30/943604730.db2.gz SZDCXMLNXNUDDE-UHFFFAOYSA-N 1 0 352.478 3.775 50 0 FHAARO CC(C)C[N@@H+]1CCc2nc[nH]c2[C@H]1C1CCN(C(=O)c2ccccc2)CC1 ZINC000675012441 943610847 /nfs/dbraw/zinc/61/08/47/943610847.db2.gz LFDDAVUHNJQWNG-OAQYLSRUSA-N 1 0 366.509 3.517 50 0 FHAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccnn1C1CCCC1 ZINC000330035612 944329089 /nfs/dbraw/zinc/32/90/89/944329089.db2.gz BVSKAKVHDZJEAA-INIZCTEOSA-N 1 0 372.538 3.702 50 0 FHAARO O=C1C[C@H](C[NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1ccccc1 ZINC000179054313 946134834 /nfs/dbraw/zinc/13/48/34/946134834.db2.gz VCXRERIWJXNTBM-MRXNPFEDSA-N 1 0 362.395 3.844 50 0 FHAARO CN(Cc1cccc(O)c1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299785874 529995178 /nfs/dbraw/zinc/99/51/78/529995178.db2.gz LXXKIMYSIBNLFH-HBMCJLEFSA-N 1 0 350.462 3.576 50 0 FHAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)C1 ZINC000299739922 530005006 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CC[C@H]1CSC2=[N+](c3ccccc3)[C@@](O)(c3ccc(Cl)cc3)CN21 ZINC000004528765 219582658 /nfs/dbraw/zinc/58/26/58/219582658.db2.gz RVDRUURPQNKSIT-LPHOPBHVSA-N 1 0 359.902 3.899 50 0 FHAARO O[C@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc(-c2ccccn2)cs1 ZINC000004916022 219624328 /nfs/dbraw/zinc/62/43/28/219624328.db2.gz ZVOIOUBKMZZODN-BMIGLBTASA-N 1 0 368.384 3.822 50 0 FHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000008156675 219849681 /nfs/dbraw/zinc/84/96/81/219849681.db2.gz UUAMNEFCKPCNII-UHFFFAOYSA-N 1 0 366.509 3.791 50 0 FHAARO COc1ccc(Cl)cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008430207 219862531 /nfs/dbraw/zinc/86/25/31/219862531.db2.gz WWWYCDMRTPSIKI-UHFFFAOYSA-N 1 0 358.869 3.874 50 0 FHAARO C[C@H]1CCC(=O)N1c1cccc(NC(=O)N(C)CC[NH+]2CCCCCC2)c1 ZINC000299781434 223095001 /nfs/dbraw/zinc/09/50/01/223095001.db2.gz UZOIWKKSDOSLBQ-KRWDZBQOSA-N 1 0 372.513 3.542 50 0 FHAARO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCCNc2cccnc2)c1 ZINC000299800567 223104049 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Cc1cc2c(cc1C)[n+](=O)c(N)c(-c1c(Cl)cccc1Cl)n2O ZINC000367938067 223143632 /nfs/dbraw/zinc/14/36/32/223143632.db2.gz SYHQJLPJHODVBG-UHFFFAOYSA-N 1 0 351.213 3.966 50 0 FHAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2Cn2cccn2)cc1 ZINC000012530351 220002459 /nfs/dbraw/zinc/00/24/59/220002459.db2.gz DFYGWAWJLHNSDH-UHFFFAOYSA-N 1 0 373.460 3.620 50 0 FHAARO Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012543502 220005274 /nfs/dbraw/zinc/00/52/74/220005274.db2.gz JPEYBTUTQDQPGR-FQEVSTJZSA-N 1 0 373.500 3.785 50 0 FHAARO c1c(-c2ccc3c(c2)OCCO3)[n+](-c2ccccc2)c2n1CCCS2 ZINC000012559961 220006876 /nfs/dbraw/zinc/00/68/76/220006876.db2.gz GCHWDZUCZPEDNJ-UHFFFAOYSA-N 1 0 351.451 3.699 50 0 FHAARO O=C1N(Cc2ccccc2F)CCC[C@@]12CC[N@@H+](C1CCSCC1)C2 ZINC000012586715 220009836 /nfs/dbraw/zinc/00/98/36/220009836.db2.gz UUEPCROFJMVARU-FQEVSTJZSA-N 1 0 362.514 3.536 50 0 FHAARO CCn1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012580042 220009727 /nfs/dbraw/zinc/00/97/27/220009727.db2.gz PMVPYKJZYQEOIK-IBGZPJMESA-N 1 0 374.960 3.943 50 0 FHAARO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1OC ZINC000012595698 220010598 /nfs/dbraw/zinc/01/05/98/220010598.db2.gz COEOPXZAMLBOPA-QGZVFWFLSA-N 1 0 360.498 3.621 50 0 FHAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccncc1 ZINC000012596690 220012509 /nfs/dbraw/zinc/01/25/09/220012509.db2.gz QOTWBHZEISEHBQ-GOSISDBHSA-N 1 0 371.912 3.762 50 0 FHAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1ccco1 ZINC000012718480 220021128 /nfs/dbraw/zinc/02/11/28/220021128.db2.gz BKZQPEXTWCDZOU-UHFFFAOYSA-N 1 0 360.885 3.960 50 0 FHAARO CC(C)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000012751473 220025081 /nfs/dbraw/zinc/02/50/81/220025081.db2.gz DPFWUYMXHYMRFZ-RDTXWAMCSA-N 1 0 366.465 3.560 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000012908978 220040724 /nfs/dbraw/zinc/04/07/24/220040724.db2.gz GBLZCRDKURIVJX-UHFFFAOYSA-N 1 0 373.294 3.975 50 0 FHAARO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)NCc3ccccc3)ccc2c1 ZINC000012999913 220051094 /nfs/dbraw/zinc/05/10/94/220051094.db2.gz GDQIDGKTQBKINW-KRWDZBQOSA-N 1 0 362.473 3.985 50 0 FHAARO O=C(Cc1ccc2c(c1)CCCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012999687 220050589 /nfs/dbraw/zinc/05/05/89/220050589.db2.gz SRAZBESNZZBUDI-UHFFFAOYSA-N 1 0 362.517 3.889 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(C)cc1)c1cccc(OC)c1 ZINC000013008846 220053244 /nfs/dbraw/zinc/05/32/44/220053244.db2.gz FHCGFGVURDNPTI-NRFANRHFSA-N 1 0 354.494 3.745 50 0 FHAARO CC(C)CC[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000013322777 220064157 /nfs/dbraw/zinc/06/41/57/220064157.db2.gz BUUOGDAYYVLVQK-UHFFFAOYSA-N 1 0 354.292 3.645 50 0 FHAARO COc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccc(C)cc2)cc1 ZINC000013510678 220070679 /nfs/dbraw/zinc/07/06/79/220070679.db2.gz NADKBPBMWVHOHG-QFIPXVFZSA-N 1 0 351.470 3.654 50 0 FHAARO COc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc(C)cc2)cc1 ZINC000013510680 220070702 /nfs/dbraw/zinc/07/07/02/220070702.db2.gz NADKBPBMWVHOHG-JOCHJYFZSA-N 1 0 351.470 3.654 50 0 FHAARO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCC(=O)NC(C)(C)C ZINC000013723701 220089316 /nfs/dbraw/zinc/08/93/16/220089316.db2.gz PZXZFIRWZSHDLV-UHFFFAOYSA-N 1 0 374.525 3.969 50 0 FHAARO C[NH+](C)CCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000014094749 220106226 /nfs/dbraw/zinc/10/62/26/220106226.db2.gz MWFUZMUCRNDLGV-KRWDZBQOSA-N 1 0 362.477 3.509 50 0 FHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000014227851 220118593 /nfs/dbraw/zinc/11/85/93/220118593.db2.gz HKHRYXACXWIQBV-UHFFFAOYSA-N 1 0 366.509 3.791 50 0 FHAARO CC1CCC([N@H+](C)CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000014241987 220120117 /nfs/dbraw/zinc/12/01/17/220120117.db2.gz BGKUQJSGDPVIJJ-NKELODKYSA-N 1 0 372.509 3.632 50 0 FHAARO Cc1ccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000014328377 220121983 /nfs/dbraw/zinc/12/19/83/220121983.db2.gz VGXWZLUZBOFEFB-UHFFFAOYSA-N 1 0 351.446 3.861 50 0 FHAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCC(C)C ZINC000014530531 220126042 /nfs/dbraw/zinc/12/60/42/220126042.db2.gz HNCDLVNIAFICLC-QGZVFWFLSA-N 1 0 351.535 3.586 50 0 FHAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]C1CCCCCC1)C2 ZINC000014748051 220132692 /nfs/dbraw/zinc/13/26/92/220132692.db2.gz JFIQFCCPADIXQG-GOSISDBHSA-N 1 0 372.557 3.699 50 0 FHAARO O=C(NCCCc1ccccc1)[C@H]1CC12CC[NH+](C1CCSCC1)CC2 ZINC000014998126 220139957 /nfs/dbraw/zinc/13/99/57/220139957.db2.gz VWJQJWGDCMDDGJ-HXUWFJFHSA-N 1 0 372.578 3.733 50 0 FHAARO COc1ccccc1/C=C/C[N@H+]1CCC(=O)N(Cc2ccccc2F)CC1 ZINC000014991806 220140450 /nfs/dbraw/zinc/14/04/50/220140450.db2.gz ZGJWBPIKJHNHHS-RMKNXTFCSA-N 1 0 368.452 3.582 50 0 FHAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)cc1CO ZINC000015075386 220146086 /nfs/dbraw/zinc/14/60/86/220146086.db2.gz XJWBYJYGRDTMLR-HXUWFJFHSA-N 1 0 358.457 3.793 50 0 FHAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](C3CCOCC3)C2)c(C)c1 ZINC000015079243 220147160 /nfs/dbraw/zinc/14/71/60/220147160.db2.gz XBWIJHTZSYBBQH-QGZVFWFLSA-N 1 0 360.498 3.613 50 0 FHAARO COc1ccccc1/C=C/C[N@@H+]1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000015067508 220144075 /nfs/dbraw/zinc/14/40/75/220144075.db2.gz CWZIIIXMMFTAJJ-CRAXIPPQSA-N 1 0 368.521 3.823 50 0 FHAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CC4CCCC4)C3)C2=O)c1 ZINC000015065792 220144383 /nfs/dbraw/zinc/14/43/83/220144383.db2.gz ZWBSJVHJZAXXGW-QFIPXVFZSA-N 1 0 356.510 3.700 50 0 FHAARO CCC(CC)c1nn2c(nc(C[N@H+](C)Cc3ccccc3)cc2=O)s1 ZINC000015731897 220163377 /nfs/dbraw/zinc/16/33/77/220163377.db2.gz MWGNKOHTHVVJEV-UHFFFAOYSA-N 1 0 356.495 3.687 50 0 FHAARO CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000015831666 220166345 /nfs/dbraw/zinc/16/63/45/220166345.db2.gz ZLBSBTAMUIWPSD-IBGZPJMESA-N 1 0 356.466 3.735 50 0 FHAARO Cc1cccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC000015860044 220169216 /nfs/dbraw/zinc/16/92/16/220169216.db2.gz UYYSVPXVMGTJKZ-SFHVURJKSA-N 1 0 356.466 3.619 50 0 FHAARO COCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862273 220169786 /nfs/dbraw/zinc/16/97/86/220169786.db2.gz IZJLWJCGGAGGMM-UHFFFAOYSA-N 1 0 354.425 3.624 50 0 FHAARO FC(F)(F)c1cccc(-c2ccc(C[NH2+]CCCN3CCOCC3)o2)c1 ZINC000016579246 220187257 /nfs/dbraw/zinc/18/72/57/220187257.db2.gz LWFJSLRHXPYQMA-UHFFFAOYSA-N 1 0 368.399 3.777 50 0 FHAARO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016603502 220187425 /nfs/dbraw/zinc/18/74/25/220187425.db2.gz KMQNLPLHUFPYAB-GOSISDBHSA-N 1 0 352.906 3.795 50 0 FHAARO CC[C@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)NC1CC[NH+](CC)CC1 ZINC000016605253 220187635 /nfs/dbraw/zinc/18/76/35/220187635.db2.gz VSOPKJPDCIAHED-KRWDZBQOSA-N 1 0 352.906 3.715 50 0 FHAARO Cc1ccc(-c2nc3c(c(SCC[NH+](C)C)n2)COC(C)(C)C3)cc1 ZINC000016607503 220188768 /nfs/dbraw/zinc/18/87/68/220188768.db2.gz GIEBXAJEPOXZBC-UHFFFAOYSA-N 1 0 357.523 3.957 50 0 FHAARO CC(C)OCCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019450407 220257499 /nfs/dbraw/zinc/25/74/99/220257499.db2.gz ZSSMKULOPVHPSY-UHFFFAOYSA-N 1 0 366.505 3.790 50 0 FHAARO CCN(Cc1cccc(F)c1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000019541020 220268899 /nfs/dbraw/zinc/26/88/99/220268899.db2.gz JNLRNBNJGISOJW-UHFFFAOYSA-N 1 0 357.454 3.635 50 0 FHAARO CCCCOc1ccc(-c2n[nH]c3c2C[N@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000019731778 220292361 /nfs/dbraw/zinc/29/23/61/220292361.db2.gz RMNPYGOSDQYCQB-MRXNPFEDSA-N 1 0 355.482 3.650 50 0 FHAARO COC(=O)c1cccc(C[NH2+]CCc2c(C)[nH]c3ccc(OC)cc32)c1 ZINC000019848664 220302073 /nfs/dbraw/zinc/30/20/73/220302073.db2.gz DCNHCKZTSYOXED-UHFFFAOYSA-N 1 0 352.434 3.604 50 0 FHAARO c1cc(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)n(-c2ccccn2)c1 ZINC000019938976 220307258 /nfs/dbraw/zinc/30/72/58/220307258.db2.gz CBYQKBVFMXBBEM-OAQYLSRUSA-N 1 0 372.516 3.594 50 0 FHAARO c1ccc2c(c1)oc1c2cccc1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000020201302 220317487 /nfs/dbraw/zinc/31/74/87/220317487.db2.gz INUVWAMJOCQIJL-SFHVURJKSA-N 1 0 350.462 3.883 50 0 FHAARO COc1cc(C[NH2+]Cc2cc3ccc(C)cc3nc2N(C)C)cc(OC)c1 ZINC000020201631 220317562 /nfs/dbraw/zinc/31/75/62/220317562.db2.gz QHKAQDYMYMAJSF-UHFFFAOYSA-N 1 0 365.477 3.916 50 0 FHAARO S=C(NC1CCCC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020352103 220323940 /nfs/dbraw/zinc/32/39/40/220323940.db2.gz KBOYRKYSTOCUFM-UHFFFAOYSA-N 1 0 353.535 3.775 50 0 FHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@]3(C)Cc1ccc(OC)c(OC)c1 ZINC000020386875 220325795 /nfs/dbraw/zinc/32/57/95/220325795.db2.gz MQXXVBHWDCWVIN-QFIPXVFZSA-N 1 0 366.461 3.797 50 0 FHAARO C[N@H+](CCNC(=O)c1cc2ccc3cccnc3c2[nH]1)C1CCCCC1 ZINC000020575516 220335444 /nfs/dbraw/zinc/33/54/44/220335444.db2.gz OWIGYEQHUDXLEC-UHFFFAOYSA-N 1 0 350.466 3.710 50 0 FHAARO Cc1cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)n(-c2ccccc2)n1 ZINC000020856311 220342392 /nfs/dbraw/zinc/34/23/92/220342392.db2.gz REWFPCANJUZVHO-UHFFFAOYSA-N 1 0 354.498 3.565 50 0 FHAARO CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000020867689 220342518 /nfs/dbraw/zinc/34/25/18/220342518.db2.gz IZROUTVHUSDGCV-LEWJYISDSA-N 1 0 372.534 3.798 50 0 FHAARO Cc1c(-c2n[nH]c3c2C[N@H+](C[C@@H]2CCOC2)CC3)cccc1C(F)(F)F ZINC000020858701 220343007 /nfs/dbraw/zinc/34/30/07/220343007.db2.gz XQFGTEVTAVKQDV-ZDUSSCGKSA-N 1 0 365.399 3.799 50 0 FHAARO c1ccc(C(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c2ccccc2)cc1 ZINC000020995593 220347933 /nfs/dbraw/zinc/34/79/33/220347933.db2.gz MXKNLALVYCFROR-QFIPXVFZSA-N 1 0 350.506 3.615 50 0 FHAARO COc1ccc2ccccc2c1CN1CC[N@H+](CC(C)(C)C)[C@@H](CCO)C1 ZINC000020915850 220345854 /nfs/dbraw/zinc/34/58/54/220345854.db2.gz IDQPVBKDAXWWIO-IBGZPJMESA-N 1 0 370.537 3.763 50 0 FHAARO COc1ccc(Cl)cc1NC(=O)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000021175358 220354535 /nfs/dbraw/zinc/35/45/35/220354535.db2.gz AIVNYFDOGJYFBP-CYBMUJFWSA-N 1 0 351.878 3.735 50 0 FHAARO CCc1c(C)sc2c1CC[N@H+](CC(=O)NC1CC1)[C@@H]2c1ccccc1 ZINC000021045771 220349049 /nfs/dbraw/zinc/34/90/49/220349049.db2.gz BMNZMHVDCVTSEO-HXUWFJFHSA-N 1 0 354.519 3.845 50 0 FHAARO COc1cccc(NC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)c1 ZINC000021728136 220364412 /nfs/dbraw/zinc/36/44/12/220364412.db2.gz STMNQNIZMGSWIG-UHFFFAOYSA-N 1 0 371.506 3.921 50 0 FHAARO CC1CC[NH+](CCNc2ncnc3onc(-c4cc(F)cc(F)c4)c32)CC1 ZINC000021714778 220364748 /nfs/dbraw/zinc/36/47/48/220364748.db2.gz ZLODMIBBJUWTMP-UHFFFAOYSA-N 1 0 373.407 3.707 50 0 FHAARO CCC[NH+](CCC)CCNc1ncnc2onc(-c3ccccc3OC)c21 ZINC000021715019 220365074 /nfs/dbraw/zinc/36/50/74/220365074.db2.gz KFAKJWUWZOEVEQ-UHFFFAOYSA-N 1 0 369.469 3.827 50 0 FHAARO COC[C@@H](C)[NH2+][C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000021820020 220367519 /nfs/dbraw/zinc/36/75/19/220367519.db2.gz GNJNNUYVSNVKER-ACJLOTCBSA-N 1 0 362.857 3.653 50 0 FHAARO Cc1cc(C[NH2+]CCc2nnc3ccccn32)c(C)n1C1CCCCC1 ZINC000021866295 220368872 /nfs/dbraw/zinc/36/88/72/220368872.db2.gz LAKQWFSSAPAXAS-UHFFFAOYSA-N 1 0 351.498 3.985 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934566 220371210 /nfs/dbraw/zinc/37/12/10/220371210.db2.gz HKWNLDKFLVWWNG-QGZVFWFLSA-N 1 0 374.488 3.901 50 0 FHAARO CCn1c(C)cc(O)c([C@H](c2cccc(OC)c2)[NH+]2CCC(C)CC2)c1=O ZINC000022696876 220395329 /nfs/dbraw/zinc/39/53/29/220395329.db2.gz CNYWMXXMVVUAAX-NRFANRHFSA-N 1 0 370.493 3.712 50 0 FHAARO Cc1[nH]c2ccccc2c1C[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000022781205 220398403 /nfs/dbraw/zinc/39/84/03/220398403.db2.gz XLOOVGBTBDSMEJ-FQEVSTJZSA-N 1 0 368.550 3.616 50 0 FHAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000022787357 220398580 /nfs/dbraw/zinc/39/85/80/220398580.db2.gz VNKPJRHUGCXQSH-IBGZPJMESA-N 1 0 354.523 3.943 50 0 FHAARO Cc1cc(-n2c(C)cc(C[NH2+][C@@H]3CCN(Cc4ccccc4)C3)c2C)no1 ZINC000022804364 220399313 /nfs/dbraw/zinc/39/93/13/220399313.db2.gz BKZJZTWPEDPPRN-OAQYLSRUSA-N 1 0 364.493 3.755 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccs1 ZINC000035982408 220796407 /nfs/dbraw/zinc/79/64/07/220796407.db2.gz OHMPHPSIUYJVTH-OAHLLOKOSA-N 1 0 366.914 3.978 50 0 FHAARO Cc1nc(CSCCC(=O)NCC2([NH+](C)C)CCCCCC2)cs1 ZINC000040091005 220880064 /nfs/dbraw/zinc/88/00/64/220880064.db2.gz PFXNMNKFOLXVEO-UHFFFAOYSA-N 1 0 369.600 3.846 50 0 FHAARO CCC(CC)(CNC(=O)c1ccc(COCC(F)(F)F)cc1)[NH+](C)C ZINC000042770505 220941710 /nfs/dbraw/zinc/94/17/10/220941710.db2.gz XTYZDNAKGXHGSX-UHFFFAOYSA-N 1 0 360.420 3.616 50 0 FHAARO COc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC(F)F ZINC000043995619 220950851 /nfs/dbraw/zinc/95/08/51/220950851.db2.gz OUQNGPKFVAZNBH-UHFFFAOYSA-N 1 0 371.428 3.727 50 0 FHAARO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000048287734 221005941 /nfs/dbraw/zinc/00/59/41/221005941.db2.gz XBVRVWDZSKMZDI-INIZCTEOSA-N 1 0 365.477 3.916 50 0 FHAARO CCCc1ccc(S(=O)(=O)NCc2ccc(C[N@H+](C)C(C)C)cc2)cc1 ZINC000048310184 221006613 /nfs/dbraw/zinc/00/66/13/221006613.db2.gz PRZQXRSIOQKISH-UHFFFAOYSA-N 1 0 374.550 3.958 50 0 FHAARO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CCCn1cncn1 ZINC000048374839 221012173 /nfs/dbraw/zinc/01/21/73/221012173.db2.gz BXXSBQVAIMNUNC-KRWDZBQOSA-N 1 0 363.465 3.614 50 0 FHAARO CCC[C@@H](NC(=O)[C@@H](C)[NH2+]CCOc1ccccc1F)c1ccccc1 ZINC000049581037 221026123 /nfs/dbraw/zinc/02/61/23/221026123.db2.gz NEYHJMQJMKWEME-VQIMIIECSA-N 1 0 358.457 3.840 50 0 FHAARO CC(C)Oc1ccc([C@@H](C(=O)[O-])[N@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000055182707 221061067 /nfs/dbraw/zinc/06/10/67/221061067.db2.gz VUDFQOCVLVKHAZ-SFHVURJKSA-N 1 0 362.514 3.841 50 0 FHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cnc(NCc3ccccc3)nc2)c1 ZINC000055195654 221061097 /nfs/dbraw/zinc/06/10/97/221061097.db2.gz AJPYLAULNMTQKL-SFHVURJKSA-N 1 0 361.493 3.855 50 0 FHAARO COc1ccccc1CN(Cc1cccc(C)c1)C(=O)C1CC[NH2+]CC1 ZINC000055197676 221061307 /nfs/dbraw/zinc/06/13/07/221061307.db2.gz NLOJEOPRNWPCMX-UHFFFAOYSA-N 1 0 352.478 3.532 50 0 FHAARO OCc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)o1 ZINC000055183174 221061361 /nfs/dbraw/zinc/06/13/61/221061361.db2.gz XGJLPRKKSIGYEW-QHCPKHFHSA-N 1 0 368.521 3.693 50 0 FHAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2nc(-c3ccccc3)ns2)cc1 ZINC000055281748 221064981 /nfs/dbraw/zinc/06/49/81/221064981.db2.gz SEDHMHIBEINGDH-UHFFFAOYSA-N 1 0 367.478 3.588 50 0 FHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cc(=O)n3c4c(cccc24)CCC3)c1 ZINC000055309513 221066183 /nfs/dbraw/zinc/06/61/83/221066183.db2.gz PSKJSJIBCDAJPT-KRWDZBQOSA-N 1 0 361.489 3.714 50 0 FHAARO CCN(Cc1ccncc1)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000054002423 221049615 /nfs/dbraw/zinc/04/96/15/221049615.db2.gz UNBAXPSIRGKPDW-UHFFFAOYSA-N 1 0 354.498 3.655 50 0 FHAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)o2)C1 ZINC000054226376 221051844 /nfs/dbraw/zinc/05/18/44/221051844.db2.gz YSMCVUZUDHAAQP-JSGCOSHPSA-N 1 0 363.255 3.607 50 0 FHAARO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2OC)cc1 ZINC000054426306 221053286 /nfs/dbraw/zinc/05/32/86/221053286.db2.gz HTIZBCGRIYCNBG-LJQANCHMSA-N 1 0 354.450 3.870 50 0 FHAARO C[N@H+](CCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000054761773 221055252 /nfs/dbraw/zinc/05/52/52/221055252.db2.gz MWSPFSWORZCJRX-HOTGVXAUSA-N 1 0 357.420 3.539 50 0 FHAARO O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+](C2CCCCCC2)CC1 ZINC000054977544 221056844 /nfs/dbraw/zinc/05/68/44/221056844.db2.gz MZKJVZXSYZJYPN-UHFFFAOYSA-N 1 0 372.534 3.869 50 0 FHAARO CCCO[C@@H]1CCCN(C(=O)c2cc(C[NH+](CC)CC)c(CC)o2)C1 ZINC000055414234 221069839 /nfs/dbraw/zinc/06/98/39/221069839.db2.gz BDKHNPUJOZTHLW-QGZVFWFLSA-N 1 0 350.503 3.715 50 0 FHAARO CSCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)Nc2c(C)cccc2C)c1 ZINC000055383750 221068213 /nfs/dbraw/zinc/06/82/13/221068213.db2.gz LZMGBANPSYVUNG-KRWDZBQOSA-N 1 0 371.506 3.575 50 0 FHAARO CC[N@H+](Cc1cc(=O)n2nc(C)sc2n1)[C@@H](C)c1cc2ccccc2o1 ZINC000058172418 221102586 /nfs/dbraw/zinc/10/25/86/221102586.db2.gz XSRHKEBVOKRNEK-LBPRGKRZSA-N 1 0 368.462 3.789 50 0 FHAARO O=C(NCCOc1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058173178 221102826 /nfs/dbraw/zinc/10/28/26/221102826.db2.gz AORKSWVWUYNTSG-GOSISDBHSA-N 1 0 372.896 3.747 50 0 FHAARO CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 ZINC000058195479 221105328 /nfs/dbraw/zinc/10/53/28/221105328.db2.gz SPMFJIKRJAKNLQ-INIZCTEOSA-N 1 0 359.420 3.539 50 0 FHAARO O=C(Nc1ccc(C[NH2+]Cc2cccc3c2OCCO3)cc1)c1ccco1 ZINC000058195497 221105749 /nfs/dbraw/zinc/10/57/49/221105749.db2.gz OAQADVLUOJRYMS-UHFFFAOYSA-N 1 0 364.401 3.593 50 0 FHAARO Cc1nc(/C=C/C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cs1 ZINC000058209665 221107325 /nfs/dbraw/zinc/10/73/25/221107325.db2.gz SPVPQBRNWYEMLC-GQCTYLIASA-N 1 0 373.547 3.961 50 0 FHAARO CCc1cc2c(C[N@H+](C)CCOc3ccccc3)cc(=O)oc2cc1O ZINC000057438869 221088138 /nfs/dbraw/zinc/08/81/38/221088138.db2.gz MXBLDZAVPGPNBU-UHFFFAOYSA-N 1 0 353.418 3.572 50 0 FHAARO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000057679513 221091927 /nfs/dbraw/zinc/09/19/27/221091927.db2.gz GQCDOMQAWPVHTN-OLZOCXBDSA-N 1 0 351.878 3.538 50 0 FHAARO Cc1ccc(S[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000058104423 221097862 /nfs/dbraw/zinc/09/78/62/221097862.db2.gz LTALLIVKUAQZTM-IEBWSBKVSA-N 1 0 354.519 3.866 50 0 FHAARO c1coc([C@@H](CNCc2csc(-c3ncccn3)n2)N2CCCCC2)c1 ZINC000058108188 221098296 /nfs/dbraw/zinc/09/82/96/221098296.db2.gz IUFGNBLNWONTIL-MRXNPFEDSA-N 1 0 369.494 3.510 50 0 FHAARO Cc1ccc(F)c(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)c1 ZINC000058226601 221110816 /nfs/dbraw/zinc/11/08/16/221110816.db2.gz ZYSOUKHEPITIQH-UHFFFAOYSA-N 1 0 366.396 3.612 50 0 FHAARO O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCC[NH+]1CCCC1 ZINC000064657586 221149990 /nfs/dbraw/zinc/14/99/90/221149990.db2.gz BNVWJPTWICGNCI-UHFFFAOYSA-N 1 0 371.481 3.721 50 0 FHAARO CCCCNC(=O)C1CC[NH+](Cc2cn(C)c3ccc(Cl)cc23)CC1 ZINC000064669777 221150249 /nfs/dbraw/zinc/15/02/49/221150249.db2.gz LNYRKYFVGHHXJP-UHFFFAOYSA-N 1 0 361.917 3.960 50 0 FHAARO Cc1cccc(C[N@H+]2CC=C(C(=O)NCc3cc(F)ccc3F)CC2)c1 ZINC000064818022 221152894 /nfs/dbraw/zinc/15/28/94/221152894.db2.gz YXEIYYXTNRGQGY-UHFFFAOYSA-N 1 0 356.416 3.722 50 0 FHAARO COc1cccc(C[N@H+]2CC=C(C(=O)NCc3ccc(Cl)cc3)CC2)c1 ZINC000064817993 221152985 /nfs/dbraw/zinc/15/29/85/221152985.db2.gz DTFKVAWHXGMPIR-UHFFFAOYSA-N 1 0 370.880 3.797 50 0 FHAARO CC(C)c1nc(-n2cccc2)sc1C(=O)NCCC[NH+]1CCCCC1 ZINC000065118596 221169698 /nfs/dbraw/zinc/16/96/98/221169698.db2.gz HFNUXQKYUAUPPK-UHFFFAOYSA-N 1 0 360.527 3.663 50 0 FHAARO COc1ccc(CNC(=O)c2[nH]c3cc(C)sc3c2C[NH+](C)C)cc1 ZINC000065147717 221171522 /nfs/dbraw/zinc/17/15/22/221171522.db2.gz UUYKZXUITDWIHC-UHFFFAOYSA-N 1 0 357.479 3.538 50 0 FHAARO COc1cccc(CNC(=O)c2[nH]c3cc(C)sc3c2C[NH+](C)C)c1 ZINC000065147794 221172094 /nfs/dbraw/zinc/17/20/94/221172094.db2.gz GVIDXFJYOAMNMT-UHFFFAOYSA-N 1 0 357.479 3.538 50 0 FHAARO CC(=O)c1cccc(-c2cc([C@H]3CC[N@H+](Cc4cncnc4)C3)ccn2)c1 ZINC000065403724 221213240 /nfs/dbraw/zinc/21/32/40/221213240.db2.gz RPRBGYBOSHRADV-NRFANRHFSA-N 1 0 358.445 3.731 50 0 FHAARO CCCCc1c(-c2ccccc2)ncn1C[C@@H](CC)[NH+]1CCN(C)CC1 ZINC000065409874 221215887 /nfs/dbraw/zinc/21/58/87/221215887.db2.gz MUWAZOHUOXUYTK-HXUWFJFHSA-N 1 0 354.542 3.919 50 0 FHAARO CC[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(C(=O)Nc2ccnn2C)cc1 ZINC000065430069 221218565 /nfs/dbraw/zinc/21/85/65/221218565.db2.gz DXKDJBJFRLAYNJ-IBGZPJMESA-N 1 0 363.465 3.651 50 0 FHAARO COc1cccc(C[C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000065403437 221211705 /nfs/dbraw/zinc/21/17/05/221211705.db2.gz LOHIYEHYFHYSMT-SFHVURJKSA-N 1 0 366.505 3.829 50 0 FHAARO Cc1nc(-c2ccc(C)c(NC(=O)C3CCC3)c2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065501008 221227400 /nfs/dbraw/zinc/22/74/00/221227400.db2.gz FYDTUAYXFMDNRM-UHFFFAOYSA-N 1 0 361.449 3.993 50 0 FHAARO O=c1c(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)coc2ccccc21 ZINC000065528135 221231505 /nfs/dbraw/zinc/23/15/05/221231505.db2.gz SWQKLRLPJBWUIG-NRFANRHFSA-N 1 0 363.457 3.609 50 0 FHAARO C[N@@H+]1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2cccc3nonc32)C1 ZINC000065533226 221232761 /nfs/dbraw/zinc/23/27/61/221232761.db2.gz RRSGVJSTHKUJDZ-HNNXBMFYSA-N 1 0 359.433 3.705 50 0 FHAARO Cc1nn2c(nc(N3CCC[N@@H+]4CCC[C@@H]4C3)c3ccccc32)c1Cl ZINC000065537203 221233021 /nfs/dbraw/zinc/23/30/21/221233021.db2.gz ZXBWZMUSPRWYCP-CQSZACIVSA-N 1 0 355.873 3.519 50 0 FHAARO COc1ccc2[nH]cc(C3CC[NH+](C[C@H](O)COC(C)(C)C)CC3)c2c1 ZINC000065575422 221233314 /nfs/dbraw/zinc/23/33/14/221233314.db2.gz RRMYTTJDIVDDHU-INIZCTEOSA-N 1 0 360.498 3.532 50 0 FHAARO CCCC[N@H+](C)C[C@@H](C)OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000067319146 221251961 /nfs/dbraw/zinc/25/19/61/221251961.db2.gz HDWDSQSFHHWROG-GOSISDBHSA-N 1 0 355.478 3.586 50 0 FHAARO Cc1cccnc1C[C@H](C)[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067654107 221265979 /nfs/dbraw/zinc/26/59/79/221265979.db2.gz JVXXJGZSQSVURS-SFHVURJKSA-N 1 0 351.494 3.558 50 0 FHAARO O=C(Nc1ccc2ncsc2c1)c1cccc(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000067513558 221257133 /nfs/dbraw/zinc/25/71/33/221257133.db2.gz AMLSSGHUMBHLEU-QGZVFWFLSA-N 1 0 367.474 3.505 50 0 FHAARO O=C(c1ccc(-c2ccoc2)nc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000067490741 221257307 /nfs/dbraw/zinc/25/73/07/221257307.db2.gz CMPNUHYDMAWFCR-UHFFFAOYSA-N 1 0 353.466 3.822 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000067515212 221258500 /nfs/dbraw/zinc/25/85/00/221258500.db2.gz YSDNKQSGTJNAQT-FQEVSTJZSA-N 1 0 366.509 3.806 50 0 FHAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN([C@@H]1CCC[NH2+]C1)C2 ZINC000067724172 221276625 /nfs/dbraw/zinc/27/66/25/221276625.db2.gz IJWWTPPXGAZMOS-GOSISDBHSA-N 1 0 358.869 3.659 50 0 FHAARO Cc1cccc(SC2CC[NH+](Cc3c(CO)cnc(C)c3O)CC2)c1 ZINC000067673879 221268234 /nfs/dbraw/zinc/26/82/34/221268234.db2.gz RGQPTPCGLHEUQU-UHFFFAOYSA-N 1 0 358.507 3.653 50 0 FHAARO C[NH+](C)CCN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067712937 221273456 /nfs/dbraw/zinc/27/34/56/221273456.db2.gz CAIMSAAOBWKJKG-UHFFFAOYSA-N 1 0 361.489 3.775 50 0 FHAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067695679 221273912 /nfs/dbraw/zinc/27/39/12/221273912.db2.gz MNAAJQVSFGJQCA-IBGZPJMESA-N 1 0 350.466 3.787 50 0 FHAARO CN1CCC([N@H+](CCc2ccccc2)Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000067758719 221283439 /nfs/dbraw/zinc/28/34/39/221283439.db2.gz XMIATULLQGZNMQ-UHFFFAOYSA-N 1 0 364.493 3.809 50 0 FHAARO O=C(c1ccc(-c2ccncc2)nc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000067833438 221291392 /nfs/dbraw/zinc/29/13/92/221291392.db2.gz HDTRNGYKLFYZKR-UHFFFAOYSA-N 1 0 364.493 3.624 50 0 FHAARO CCc1ccccc1C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC000067921623 221305191 /nfs/dbraw/zinc/30/51/91/221305191.db2.gz CSPZGJVNLVUSLY-JOCHJYFZSA-N 1 0 352.478 3.970 50 0 FHAARO COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000067966077 221309231 /nfs/dbraw/zinc/30/92/31/221309231.db2.gz ZVEKKRAMWRHODS-OAQYLSRUSA-N 1 0 371.444 3.506 50 0 FHAARO CC(C)[NH+]1CCC(c2nc([C@]3(c4ccc(F)cc4)CCOC3)no2)CC1 ZINC000071278873 221337239 /nfs/dbraw/zinc/33/72/39/221337239.db2.gz XAGDRHKREMCBSN-HXUWFJFHSA-N 1 0 359.445 3.503 50 0 FHAARO CN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000070016941 221330408 /nfs/dbraw/zinc/33/04/08/221330408.db2.gz HPLQZDJLGFGACK-NRFANRHFSA-N 1 0 354.469 3.881 50 0 FHAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@H]([NH3+])CC(C)C)CCO3)s1 ZINC000071315264 221341835 /nfs/dbraw/zinc/34/18/35/221341835.db2.gz TUNLTFIBQGUIJF-MRXNPFEDSA-N 1 0 374.506 3.524 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2cccnc2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071614913 221352772 /nfs/dbraw/zinc/35/27/72/221352772.db2.gz DGRKAEMEGGKCSW-HXUWFJFHSA-N 1 0 355.457 3.593 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2cnc3ccccc3c2)CCC[N@@H+]1CC1CC1 ZINC000071751525 221361765 /nfs/dbraw/zinc/36/17/65/221361765.db2.gz SJEZDQCYRVCLRU-OAQYLSRUSA-N 1 0 351.494 3.817 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)CCC[N@@H+]1CC1CC1 ZINC000071707876 221353953 /nfs/dbraw/zinc/35/39/53/221353953.db2.gz UUIHVESGAFABMM-FQEVSTJZSA-N 1 0 366.509 3.659 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(C)(C)O)C3)c(C)o2)c(F)c1 ZINC000071771229 221373987 /nfs/dbraw/zinc/37/39/87/221373987.db2.gz UAGACFJEKNZTMJ-CQSZACIVSA-N 1 0 362.445 3.781 50 0 FHAARO CC(C)[C@@H]1CN(Cc2nnc(C3CC3)o2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071776356 221375413 /nfs/dbraw/zinc/37/54/13/221375413.db2.gz CHVWRRFCDDJFIH-IBGZPJMESA-N 1 0 372.488 3.819 50 0 FHAARO COc1cccc([C@H](C[NH2+]Cc2ccc(OC)c(F)c2)N2CCCC2)c1 ZINC000071810637 221378965 /nfs/dbraw/zinc/37/89/65/221378965.db2.gz KFOWYOIFKMLISG-FQEVSTJZSA-N 1 0 358.457 3.770 50 0 FHAARO COCCC[C@@H]1CCCN(C(=O)c2cccc(CC3CC[NH2+]CC3)c2)C1 ZINC000072140052 221419613 /nfs/dbraw/zinc/41/96/13/221419613.db2.gz ZDBYEEWTMIJRTL-IBGZPJMESA-N 1 0 358.526 3.508 50 0 FHAARO Cc1nc2c(c(NCC[C@H](c3ccco3)c3ccccc3)n1)CC[NH2+]CC2 ZINC000072428575 221518452 /nfs/dbraw/zinc/51/84/52/221518452.db2.gz HJZSXNFFEWMTHI-SFHVURJKSA-N 1 0 362.477 3.700 50 0 FHAARO Cc1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)c2ccccc2[nH+]1 ZINC000082120015 132195940 /nfs/dbraw/zinc/19/59/40/132195940.db2.gz DTCGPUQTFJTZHW-UHFFFAOYSA-N 1 0 358.445 3.946 50 0 FHAARO O=C(c1ccc(N2CCCCC2)cc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091724307 132203453 /nfs/dbraw/zinc/20/34/53/132203453.db2.gz PIWFTXVIZWUMCV-DENIHFKCSA-N 1 0 367.537 3.623 50 0 FHAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccco1 ZINC000095299537 132206606 /nfs/dbraw/zinc/20/66/06/132206606.db2.gz NAZLDZHUTVEKPJ-UHFFFAOYSA-N 1 0 361.445 3.854 50 0 FHAARO Cc1cc(N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)nc2ccccc12 ZINC000095369885 132208636 /nfs/dbraw/zinc/20/86/36/132208636.db2.gz BWENLFZXULLNDD-SFHVURJKSA-N 1 0 363.509 3.685 50 0 FHAARO CCOc1ccccc1N1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000042751588 136121327 /nfs/dbraw/zinc/12/13/27/136121327.db2.gz LPQDQLUPNQKODQ-UHFFFAOYSA-N 1 0 362.477 3.798 50 0 FHAARO c1csc(-c2cc3c(N4CC[NH+](C5CCCCC5)CC4)nccn3n2)c1 ZINC000067285222 136137198 /nfs/dbraw/zinc/13/71/98/136137198.db2.gz XDONYRPAVQMFTO-UHFFFAOYSA-N 1 0 367.522 3.913 50 0 FHAARO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000023211912 136152481 /nfs/dbraw/zinc/15/24/81/136152481.db2.gz OLYGDYUGTVLLCC-HXUWFJFHSA-N 1 0 374.912 3.519 50 0 FHAARO c1cnn(CCC[NH2+]C2CCN(c3ccc(-c4ccco4)cc3)CC2)c1 ZINC000023398707 136153046 /nfs/dbraw/zinc/15/30/46/136153046.db2.gz HUAFFRWPMIUOCI-UHFFFAOYSA-N 1 0 350.466 3.792 50 0 FHAARO Cc1c(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)c2cccc3c2n1CCC3 ZINC000082137280 221704949 /nfs/dbraw/zinc/70/49/49/221704949.db2.gz MADDXIIKLQTOEJ-IBGZPJMESA-N 1 0 368.521 3.756 50 0 FHAARO Cc1cc(C)c2ccc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)cc2n1 ZINC000091620523 221775028 /nfs/dbraw/zinc/77/50/28/221775028.db2.gz PKEREIVHELMDLI-UYAOXDASSA-N 1 0 363.505 3.798 50 0 FHAARO Fc1ccc(Cl)c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)c1 ZINC000095373746 221876572 /nfs/dbraw/zinc/87/65/72/221876572.db2.gz UVIJBDNIMLNLOG-HNAYVOBHSA-N 1 0 359.876 3.971 50 0 FHAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)Nc1cccc2c[nH]nc21 ZINC000096132403 222038563 /nfs/dbraw/zinc/03/85/63/222038563.db2.gz ZEWVSMDVBDLACQ-GOSISDBHSA-N 1 0 367.428 3.661 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C3CCOCC3)CC2)C1 ZINC000096153623 222055219 /nfs/dbraw/zinc/05/52/19/222055219.db2.gz AGDJEIMHFZDKHS-NRFANRHFSA-N 1 0 370.537 3.531 50 0 FHAARO Cc1nc(CSc2cn(C)c3ccccc23)n(C2CC[NH+](C)CC2)n1 ZINC000096164251 222063410 /nfs/dbraw/zinc/06/34/10/222063410.db2.gz JDFHMPDODOAIDZ-UHFFFAOYSA-N 1 0 355.511 3.637 50 0 FHAARO Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000096163034 222063463 /nfs/dbraw/zinc/06/34/63/222063463.db2.gz DTGWZNIPYQXRJW-IBGZPJMESA-N 1 0 374.916 3.566 50 0 FHAARO C[NH+](C)CCOC1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000096165453 222064723 /nfs/dbraw/zinc/06/47/23/222064723.db2.gz ASVSJZYKZAHRPU-UHFFFAOYSA-N 1 0 367.493 3.928 50 0 FHAARO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000097032893 222153793 /nfs/dbraw/zinc/15/37/93/222153793.db2.gz SAWDKTYLNRJOSD-SJCJKPOMSA-N 1 0 350.821 3.788 50 0 FHAARO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000097032892 222154302 /nfs/dbraw/zinc/15/43/02/222154302.db2.gz SAWDKTYLNRJOSD-SJKOYZFVSA-N 1 0 350.821 3.788 50 0 FHAARO C/C=C\c1ccc(OCC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c(OC)c1 ZINC000097096942 222158647 /nfs/dbraw/zinc/15/86/47/222158647.db2.gz XGONHWFXMWMBTA-FVXMCEBTSA-N 1 0 374.525 3.734 50 0 FHAARO Brc1ccccc1CN1CCC([NH2+]Cc2ccncc2)CC1 ZINC000097105290 222159911 /nfs/dbraw/zinc/15/99/11/222159911.db2.gz MBHMUAMGRKITQC-UHFFFAOYSA-N 1 0 360.299 3.598 50 0 FHAARO Cc1ccsc1C[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000097221811 222170880 /nfs/dbraw/zinc/17/08/80/222170880.db2.gz KLIUNQGGQPQXOI-KRWDZBQOSA-N 1 0 350.915 3.873 50 0 FHAARO COc1cccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3C[NH3+])cc2)c1 ZINC000097323846 222175361 /nfs/dbraw/zinc/17/53/61/222175361.db2.gz YTSDXXBHVVPFFG-MRXNPFEDSA-N 1 0 355.438 3.833 50 0 FHAARO COc1cc2nc(-c3cccc([C@H](C)[NH+](C)C)c3)nc(N)c2cc1OC ZINC000097572118 222192827 /nfs/dbraw/zinc/19/28/27/222192827.db2.gz FOQATOMMTLFGNK-LBPRGKRZSA-N 1 0 352.438 3.519 50 0 FHAARO CCc1cc(Cl)ccc1NC(=O)NCCCOC1CC[NH+](C)CC1 ZINC000097575082 222194311 /nfs/dbraw/zinc/19/43/11/222194311.db2.gz SRNYGRVGUPYENZ-UHFFFAOYSA-N 1 0 353.894 3.525 50 0 FHAARO Cc1c(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000097681820 222206256 /nfs/dbraw/zinc/20/62/56/222206256.db2.gz HNIHUBVYMVZHBT-HXUWFJFHSA-N 1 0 351.425 3.571 50 0 FHAARO COc1ccc2cc(C(=O)NC[C@H](c3sccc3C)[NH+](C)C)n(C)c2c1 ZINC000097732972 222209017 /nfs/dbraw/zinc/20/90/17/222209017.db2.gz PDHUPRRQLXZBAE-GOSISDBHSA-N 1 0 371.506 3.590 50 0 FHAARO CCOc1ncccc1CNC(=O)c1ccc([C@@H](C)[NH+]2CCCCC2)o1 ZINC000097785327 222212614 /nfs/dbraw/zinc/21/26/14/222212614.db2.gz SFHFAZIHFFVZMW-OAHLLOKOSA-N 1 0 357.454 3.550 50 0 FHAARO CC[NH+](CC)Cc1cccc(NC(=O)N(C)CCc2c(C)n[nH]c2C)c1 ZINC000097831114 222216032 /nfs/dbraw/zinc/21/60/32/222216032.db2.gz OIGIXMKRGJVGSI-UHFFFAOYSA-N 1 0 357.502 3.575 50 0 FHAARO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(-c3ccc(O)cc3)c1)C2 ZINC000097553195 222191718 /nfs/dbraw/zinc/19/17/18/222191718.db2.gz PGGZAZBGUWYDLI-QFIPXVFZSA-N 1 0 350.462 3.617 50 0 FHAARO Cc1nn(CCO)cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)c(C)c1)C2 ZINC000102504096 222297649 /nfs/dbraw/zinc/29/76/49/222297649.db2.gz TXRAVXVPQQLZTF-FNLKRUPLSA-N 1 0 357.473 3.542 50 0 FHAARO COc1ccc(CN2CC[N@@H+](C3CCCCC3)C[C@H]2CCO)c(C)c1C ZINC000104327814 222355149 /nfs/dbraw/zinc/35/51/49/222355149.db2.gz XUKGCKHZFUVSLY-OAQYLSRUSA-N 1 0 360.542 3.513 50 0 FHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)N[C@H]1CCc3ccccc31)C[C@@H](C)O2 ZINC000104543050 222359651 /nfs/dbraw/zinc/35/96/51/222359651.db2.gz HEKVYKQLHIMKBV-UTKZUKDTSA-N 1 0 364.489 3.772 50 0 FHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3ccco3)n2)C1 ZINC000106135211 222383185 /nfs/dbraw/zinc/38/31/85/222383185.db2.gz QKBIGEZFKKKZGH-GDBMZVCRSA-N 1 0 367.474 3.968 50 0 FHAARO CC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000106920915 222388283 /nfs/dbraw/zinc/38/82/83/222388283.db2.gz XJJBWQQJHGVOFC-CHWSQXEVSA-N 1 0 358.313 3.594 50 0 FHAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000006788178 263347083 /nfs/dbraw/zinc/34/70/83/263347083.db2.gz XLWINFFXDVVNRG-SFHVURJKSA-N 1 0 351.494 3.658 50 0 FHAARO COc1ccccc1C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1 ZINC000019743609 263375579 /nfs/dbraw/zinc/37/55/79/263375579.db2.gz WFKZZFGLSNMAGF-MRXNPFEDSA-N 1 0 363.461 3.677 50 0 FHAARO CC(C)(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019781749 263376530 /nfs/dbraw/zinc/37/65/30/263376530.db2.gz PGIUSTBMMXLCJZ-FQEVSTJZSA-N 1 0 368.521 3.546 50 0 FHAARO Cc1ccc(C)c(NC(=O)NCCCN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000020154020 263379135 /nfs/dbraw/zinc/37/91/35/263379135.db2.gz IDGHKPFGYXTNKX-UHFFFAOYSA-N 1 0 372.557 3.765 50 0 FHAARO Cc1cc(Br)cc(C)c1OCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020167210 263379214 /nfs/dbraw/zinc/37/92/14/263379214.db2.gz DTJDPJMEWKKTEO-GJZGRUSLSA-N 1 0 356.304 3.944 50 0 FHAARO C[NH+](C)CCN(CCO)C(=O)c1ccc(-c2ccc3ccccc3c2)cc1 ZINC000426412654 263582103 /nfs/dbraw/zinc/58/21/03/263582103.db2.gz DFSVTRCQHJENDP-UHFFFAOYSA-N 1 0 362.473 3.503 50 0 FHAARO O=C(NCCC(c1ccccc1)c1ccccc1)NCC1CC[NH2+]CC1 ZINC000426588959 263640862 /nfs/dbraw/zinc/64/08/62/263640862.db2.gz JPMXMOOBHDYYAN-UHFFFAOYSA-N 1 0 351.494 3.507 50 0 FHAARO C[C@H](CCC(=O)NCc1cccc(Oc2ccccc2)c1)[NH+]1CCOCC1 ZINC000299773932 533794204 /nfs/dbraw/zinc/79/42/04/533794204.db2.gz GRZGZWZYRZETNI-GOSISDBHSA-N 1 0 368.477 3.596 50 0 FHAARO Cc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c(C)n1C ZINC000299767315 534058785 /nfs/dbraw/zinc/05/87/85/534058785.db2.gz JTZJCGNNANPDHC-IBGZPJMESA-N 1 0 359.901 3.862 50 0 FHAARO CC(C)=CCC[C@H](C)C[N@@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000091476205 519422419 /nfs/dbraw/zinc/42/24/19/519422419.db2.gz XHHGYLSRHZGJLB-SFHVURJKSA-N 1 0 372.557 3.888 50 0 FHAARO CC(C)c1cc(Br)ccc1OCCCN1CC[NH+](C)CC1 ZINC000020652718 519831005 /nfs/dbraw/zinc/83/10/05/519831005.db2.gz DETOWRNVMYQLNF-UHFFFAOYSA-N 1 0 355.320 3.589 50 0 FHAARO CCC[NH+]1CCC(CC(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000091468389 519842344 /nfs/dbraw/zinc/84/23/44/519842344.db2.gz ZVCJPUXRISFLNE-JOCHJYFZSA-N 1 0 351.494 3.799 50 0 FHAARO Cc1ccsc1-c1cccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000299792786 534454560 /nfs/dbraw/zinc/45/45/60/534454560.db2.gz GOXYZVWPSKJZBR-LJQANCHMSA-N 1 0 372.534 3.690 50 0 FHAARO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCO2)cc1OCC ZINC000020932348 520289730 /nfs/dbraw/zinc/28/97/30/520289730.db2.gz OXDISUJWWPEUPY-AWEZNQCLSA-N 1 0 372.303 3.905 50 0 FHAARO CCOc1ccc(CCC2CC[NH+](CCn3c(C)csc3=O)CC2)cc1 ZINC000084807999 520944946 /nfs/dbraw/zinc/94/49/46/520944946.db2.gz LGRMOBURWFWOTE-UHFFFAOYSA-N 1 0 374.550 3.962 50 0 FHAARO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000179010337 521568215 /nfs/dbraw/zinc/56/82/15/521568215.db2.gz BVSSWCPTPSYCTL-MRXNPFEDSA-N 1 0 354.450 3.559 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000019872216 521659040 /nfs/dbraw/zinc/65/90/40/521659040.db2.gz IMWQFZGWFFEPOO-FQEVSTJZSA-N 1 0 372.484 3.987 50 0 FHAARO COc1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc(OC)c1 ZINC000239338918 522387290 /nfs/dbraw/zinc/38/72/90/522387290.db2.gz LKLRJFSEZURBRF-FGZHOGPDSA-N 1 0 358.526 3.933 50 0 FHAARO C[N@H+](Cc1ccccc1)C1(CNCc2ccccn2)Cc2ccccc2C1 ZINC000020166275 523342472 /nfs/dbraw/zinc/34/24/72/523342472.db2.gz VZFUYAUYOPELBZ-UHFFFAOYSA-N 1 0 357.501 3.841 50 0 FHAARO CCn1nc(C)c(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)c1Cl ZINC000089300136 523630395 /nfs/dbraw/zinc/63/03/95/523630395.db2.gz MTJCVWGEDQSQCG-UHFFFAOYSA-N 1 0 365.861 3.527 50 0 FHAARO CCn1nc(C[NH2+]Cc2cc(=O)c3cccc(Cl)c3[nH]2)c2ccccc21 ZINC000091651624 523678673 /nfs/dbraw/zinc/67/86/73/523678673.db2.gz AIGYORGHGLBYDV-UHFFFAOYSA-N 1 0 366.852 3.841 50 0 FHAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3ccsc3)CC2)cc1 ZINC000012584982 523949321 /nfs/dbraw/zinc/94/93/21/523949321.db2.gz HZSRDFFUYJEBJO-UHFFFAOYSA-N 1 0 372.534 3.783 50 0 FHAARO COCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876281 523954679 /nfs/dbraw/zinc/95/46/79/523954679.db2.gz SRMXTXKOQCOJJQ-UHFFFAOYSA-N 1 0 353.821 3.803 50 0 FHAARO COc1ccc(C[N@H+](C)Cc2ccc3ncccc3c2)c(OC)c1OC ZINC000020867803 524005583 /nfs/dbraw/zinc/00/55/83/524005583.db2.gz VJYKUTQALVQQOY-UHFFFAOYSA-N 1 0 352.434 3.893 50 0 FHAARO C[C@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCSc3ccc(F)cc32)C1 ZINC000241316672 524087285 /nfs/dbraw/zinc/08/72/85/524087285.db2.gz LTXRHYVSJPSIFY-YOEHRIQHSA-N 1 0 365.518 3.784 50 0 FHAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccccc2Cl)C[C@@H]1CCO ZINC000020514261 525144638 /nfs/dbraw/zinc/14/46/38/525144638.db2.gz WDCFHXUGGFCMLO-FQEVSTJZSA-N 1 0 358.913 3.717 50 0 FHAARO c1cnn(-c2ccccc2C[N@H+]2CCC[C@@H](c3nccn3CC3CC3)C2)c1 ZINC000082099813 526552358 /nfs/dbraw/zinc/55/23/58/526552358.db2.gz NCDYMMOTTIDWJJ-HXUWFJFHSA-N 1 0 361.493 3.858 50 0 FHAARO O=C(NCc1ccncc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019810273 526794134 /nfs/dbraw/zinc/79/41/34/526794134.db2.gz ACFJSRHMDFKFSM-UHFFFAOYSA-N 1 0 357.457 3.570 50 0 FHAARO Clc1cccc(N2CCN([C@H]3CCC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC000019745696 526980740 /nfs/dbraw/zinc/98/07/40/526980740.db2.gz OQERYORRVWIAAO-FQEVSTJZSA-N 1 0 359.901 3.720 50 0 FHAARO Cc1ncc2c(c1-c1noc(CCCc3c[nH]c4ccccc34)n1)CC[NH2+]C2 ZINC000020235936 527315799 /nfs/dbraw/zinc/31/57/99/527315799.db2.gz WKPMXNPGRMWZGD-UHFFFAOYSA-N 1 0 373.460 3.742 50 0 FHAARO Cc1nccn1CCC[N@@H+]1CCC[C@@H](c2nccn2Cc2ccccc2)C1 ZINC000082092012 527413405 /nfs/dbraw/zinc/41/34/05/527413405.db2.gz KXBPHCOBOKWOQL-OAQYLSRUSA-N 1 0 363.509 3.706 50 0 FHAARO CC[N@H+](CCCNc1c(=O)c(=O)c1-c1ccc(C)cc1)Cc1ccccc1 ZINC000006749097 568030871 /nfs/dbraw/zinc/03/08/71/568030871.db2.gz KFVZGMNAZBDKII-UHFFFAOYSA-N 1 0 362.473 3.582 50 0 FHAARO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000215290484 568062198 /nfs/dbraw/zinc/06/21/98/568062198.db2.gz YRGMEFUIEOMBND-HXUWFJFHSA-N 1 0 360.542 3.534 50 0 FHAARO C[C@H](CCn1cccn1)[N@@H+]1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 ZINC000215853507 568092581 /nfs/dbraw/zinc/09/25/81/568092581.db2.gz GUVNDNAROAQNEK-CQSZACIVSA-N 1 0 355.873 3.764 50 0 FHAARO O=C1Nc2ccccc2C12CC[NH+](Cc1cc(-c3ccccc3)no1)CC2 ZINC000216090446 568105016 /nfs/dbraw/zinc/10/50/16/568105016.db2.gz XZSMANIWLCAGAN-UHFFFAOYSA-N 1 0 359.429 3.828 50 0 FHAARO 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PTVIMGAMRGWUIO-SFHVURJKSA-N 1 0 363.889 3.573 50 0 FHAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2c[nH]nc2-c2ccccc2)s1 ZINC000091781931 570438994 /nfs/dbraw/zinc/43/89/94/570438994.db2.gz VNMLSORHWXMPAR-UHFFFAOYSA-N 1 0 368.506 3.651 50 0 FHAARO CCN1CC2(CC[NH+](Cc3cccnc3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091830080 570439929 /nfs/dbraw/zinc/43/99/29/570439929.db2.gz OITJRBGYPHKOCO-OAQYLSRUSA-N 1 0 363.505 3.700 50 0 FHAARO Cc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)cc1C ZINC000091846951 570440594 /nfs/dbraw/zinc/44/05/94/570440594.db2.gz CBHZYOKMGNDCEY-AZUAARDMSA-N 1 0 371.550 3.735 50 0 FHAARO O=C1CCC2(CC[NH+](C[C@H]3CC=CCC3)CC2)CN1Cc1ccccn1 ZINC000091830543 570440603 /nfs/dbraw/zinc/44/06/03/570440603.db2.gz OKRCGLAFHYOJHI-IBGZPJMESA-N 1 0 353.510 3.643 50 0 FHAARO Cc1c2cc(F)ccc2n(C)c1C(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000091915125 570442581 /nfs/dbraw/zinc/44/25/81/570442581.db2.gz ASXCUNAXIZIILA-QGZVFWFLSA-N 1 0 371.500 3.964 50 0 FHAARO COc1ccccc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000092022438 570445218 /nfs/dbraw/zinc/44/52/18/570445218.db2.gz ABQARTWBWSEWMU-GHTZIAJQSA-N 1 0 354.469 3.931 50 0 FHAARO Cc1ccccc1N1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC000092037406 570445313 /nfs/dbraw/zinc/44/53/13/570445313.db2.gz QHSKFQJBZBUWJM-UHFFFAOYSA-N 1 0 367.493 3.536 50 0 FHAARO O=c1cc(C[NH+]2CCC([C@@H](O)c3cccs3)CC2)[nH]c2ccccc12 ZINC000092065870 570446664 /nfs/dbraw/zinc/44/66/64/570446664.db2.gz BBMUDYAMNSDXTN-HXUWFJFHSA-N 1 0 354.475 3.948 50 0 FHAARO COc1c(Cl)cc(Cl)cc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017756 570449436 /nfs/dbraw/zinc/44/94/36/570449436.db2.gz TZHMVSFJMKNTBB-AWEZNQCLSA-N 1 0 373.324 3.546 50 0 FHAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000225570206 570449807 /nfs/dbraw/zinc/44/98/07/570449807.db2.gz HSXOHZGWBVFKTC-MRXNPFEDSA-N 1 0 372.456 3.653 50 0 FHAARO Cc1nc2cc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4Cc4ccccc4)C3)ccc2[nH]1 ZINC000095353319 570452191 /nfs/dbraw/zinc/45/21/91/570452191.db2.gz SBDUPFSZGIEWFX-UYAOXDASSA-N 1 0 374.488 3.608 50 0 FHAARO COc1ccccc1-c1ncc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000095353102 570452297 /nfs/dbraw/zinc/45/22/97/570452297.db2.gz ZDGQTZSSIKYQDF-OAHLLOKOSA-N 1 0 373.522 3.699 50 0 FHAARO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)CC1 ZINC000095352522 570452339 /nfs/dbraw/zinc/45/23/39/570452339.db2.gz HMADOBSEZIFFMQ-LJQANCHMSA-N 1 0 372.488 3.876 50 0 FHAARO CC[NH+]1CCC(CC(=O)N[C@@H](c2ccncc2)c2ccccc2C)CC1 ZINC000095355048 570452875 /nfs/dbraw/zinc/45/28/75/570452875.db2.gz ZILZKJYOQVSWJC-QFIPXVFZSA-N 1 0 351.494 3.718 50 0 FHAARO c1c[nH]c(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C2CC2)C3)n1 ZINC000095358408 570453303 /nfs/dbraw/zinc/45/33/03/570453303.db2.gz RPLLSCMWSKQAHV-LJQANCHMSA-N 1 0 350.510 3.644 50 0 FHAARO COc1ccc([C@@H]2C[N@H+](Cc3ccsc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095356563 570453345 /nfs/dbraw/zinc/45/33/45/570453345.db2.gz XKBLFBWZUROMRS-PWRODBHTSA-N 1 0 354.519 3.819 50 0 FHAARO O=C(c1cccc2cnccc21)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095356234 570453411 /nfs/dbraw/zinc/45/34/11/570453411.db2.gz ZDWRRQWNNXHGKP-TZIWHRDSSA-N 1 0 371.484 3.971 50 0 FHAARO CC[C@H](CNC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1)[N@H+](C)CC ZINC000095361613 570453842 /nfs/dbraw/zinc/45/38/42/570453842.db2.gz RSIPSVCAOMCVJR-GOSISDBHSA-N 1 0 368.456 3.601 50 0 FHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000095363449 570454479 /nfs/dbraw/zinc/45/44/79/570454479.db2.gz PXHYIVBBKKGXOI-SFHVURJKSA-N 1 0 372.488 3.509 50 0 FHAARO Cn1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c2ccccc21 ZINC000095363954 570454762 /nfs/dbraw/zinc/45/47/62/570454762.db2.gz QFQLXEJUNLNUNY-WOJBJXKFSA-N 1 0 373.500 3.915 50 0 FHAARO CCOc1ccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)cc1 ZINC000095375693 570457422 /nfs/dbraw/zinc/45/74/22/570457422.db2.gz UCUMEUDPVFUPMW-OAQYLSRUSA-N 1 0 364.489 3.724 50 0 FHAARO CCC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1nccn1C ZINC000095384938 570460232 /nfs/dbraw/zinc/46/02/32/570460232.db2.gz CLECBDICSHWARQ-LJQANCHMSA-N 1 0 354.498 3.677 50 0 FHAARO CSc1cccc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)c1 ZINC000095390821 570460603 /nfs/dbraw/zinc/46/06/03/570460603.db2.gz XBMLSQNAXISRRV-QGZVFWFLSA-N 1 0 358.507 3.872 50 0 FHAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)C2CC2)CC1 ZINC000095497434 570461803 /nfs/dbraw/zinc/46/18/03/570461803.db2.gz QLJXOKHOVADUHB-JOCHJYFZSA-N 1 0 370.537 3.625 50 0 FHAARO C[C@@H](NC(=O)CC[N@@H+]1CCc2nc(-c3ccccc3)[nH]c2C1)c1ccccc1 ZINC000095500843 570462975 /nfs/dbraw/zinc/46/29/75/570462975.db2.gz UPXOHVBYPPGOHV-QGZVFWFLSA-N 1 0 374.488 3.702 50 0 FHAARO COCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c3ccccc23)CC1 ZINC000095506526 570464522 /nfs/dbraw/zinc/46/45/22/570464522.db2.gz GNBRJNKHSDUYCS-UHFFFAOYSA-N 1 0 361.873 3.679 50 0 FHAARO C[N@@H+]1CCCN(C(=O)Nc2ccc(SCCc3ccccn3)cc2)CC1 ZINC000095523976 570468429 /nfs/dbraw/zinc/46/84/29/570468429.db2.gz XYBZQYFAWFLXCE-UHFFFAOYSA-N 1 0 370.522 3.586 50 0 FHAARO Cc1ccc(C(=O)N[C@@H](NC(=[NH2+])C(C)C)C(Cl)(Cl)Cl)cc1 ZINC000003109679 570521315 /nfs/dbraw/zinc/52/13/15/570521315.db2.gz GLQNVUTUMDVGCV-CYBMUJFWSA-N 1 0 350.677 3.644 50 0 FHAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)c1ccc(F)cc1F ZINC000002514756 570523313 /nfs/dbraw/zinc/52/33/13/570523313.db2.gz HCSIUCMBAQBGDX-UHFFFAOYSA-N 1 0 373.399 3.535 50 0 FHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3ccc(OCC)cc3)c2)C1 ZINC000034670317 570527055 /nfs/dbraw/zinc/52/70/55/570527055.db2.gz XMDCZBHDGIFUAA-IBGZPJMESA-N 1 0 368.477 3.922 50 0 FHAARO CCOc1ccccc1-c1cc(C(=O)NCC[NH+](C)C)c2ccccc2n1 ZINC000002867844 570540416 /nfs/dbraw/zinc/54/04/16/570540416.db2.gz FUUUQJBEDZJIBA-UHFFFAOYSA-N 1 0 363.461 3.592 50 0 FHAARO Fc1ccccc1COc1cccc(C[NH2+]CCOc2ccccn2)c1 ZINC000113396185 570543867 /nfs/dbraw/zinc/54/38/67/570543867.db2.gz LWZJPVLJHVROMH-UHFFFAOYSA-N 1 0 352.409 3.968 50 0 FHAARO CCOc1c(C[NH2+]CCc2nc3ccccc3[nH]2)cc(Cl)cc1OC ZINC000113398631 570544366 /nfs/dbraw/zinc/54/43/66/570544366.db2.gz FQBBZYUSKDDHBT-UHFFFAOYSA-N 1 0 359.857 3.956 50 0 FHAARO C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000050489153 570547196 /nfs/dbraw/zinc/54/71/96/570547196.db2.gz QDBUNJVFMGCIPP-UHFFFAOYSA-N 1 0 371.396 3.939 50 0 FHAARO CC[NH+](CC)CCCNC(=O)c1sc2nc(-c3ccccc3)cn2c1C ZINC000004930777 570562131 /nfs/dbraw/zinc/56/21/31/570562131.db2.gz BRIWWKGJMLDFNS-UHFFFAOYSA-N 1 0 370.522 3.833 50 0 FHAARO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccccc1C ZINC000036095972 570566669 /nfs/dbraw/zinc/56/66/69/570566669.db2.gz FMBIFRLIXLRIRE-LJQANCHMSA-N 1 0 373.493 3.664 50 0 FHAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]C(C)C ZINC000004992302 570572786 /nfs/dbraw/zinc/57/27/86/570572786.db2.gz NMIXOKLEGFUEFL-RTBURBONSA-N 1 0 358.869 3.809 50 0 FHAARO O=C(c1ccc(Oc2cccc(Cl)c2Cl)nc1)N1CCC[NH2+]CC1 ZINC000237870347 570579763 /nfs/dbraw/zinc/57/97/63/570579763.db2.gz BBEXEKRMNBKZIK-UHFFFAOYSA-N 1 0 366.248 3.616 50 0 FHAARO O=C(c1ccc(Cl)cc1)c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000004247821 570581886 /nfs/dbraw/zinc/58/18/86/570581886.db2.gz ACHQJZRFPALDEI-LJQANCHMSA-N 1 0 373.880 3.797 50 0 FHAARO C[NH+](C)Cc1ccc(CSCCNC(=O)Nc2ccc(F)cc2)o1 ZINC000004324775 570585206 /nfs/dbraw/zinc/58/52/06/570585206.db2.gz AZFLQLXJHMKORH-UHFFFAOYSA-N 1 0 351.447 3.535 50 0 FHAARO CCn1c(C)cc(O)c([C@H](c2ccccc2F)[NH+]2CCC(C)CC2)c1=O ZINC000038545825 570593756 /nfs/dbraw/zinc/59/37/56/570593756.db2.gz LLDOVGFKKWFJOS-FQEVSTJZSA-N 1 0 358.457 3.843 50 0 FHAARO CC(=O)N(CC(C)C)C[C@H]1C[N@H+](Cc2cccn2C)C[C@H]1c1ccccc1 ZINC000248143351 570598386 /nfs/dbraw/zinc/59/83/86/570598386.db2.gz QYVUAOZEEFLPGF-GGAORHGYSA-N 1 0 367.537 3.745 50 0 FHAARO CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C[N@@H+]1CCCC[C@H]1C ZINC000248236168 570602918 /nfs/dbraw/zinc/60/29/18/570602918.db2.gz MQJSDMUGXYWOGF-QZTJIDSGSA-N 1 0 373.541 3.743 50 0 FHAARO C[C@@H](NC(=O)N(Cc1ccncc1)C1CC[NH+](C)CC1)c1cccs1 ZINC000426433691 570604616 /nfs/dbraw/zinc/60/46/16/570604616.db2.gz RYGDYGGUMATRQU-OAHLLOKOSA-N 1 0 358.511 3.510 50 0 FHAARO O[C@H](C[NH2+]C1CCCCC1)COc1ccc(OCc2ccccc2)cc1 ZINC000004978172 570615171 /nfs/dbraw/zinc/61/51/71/570615171.db2.gz IZDBWDSZYABPIP-HXUWFJFHSA-N 1 0 355.478 3.928 50 0 FHAARO [NH3+]CCOc1ccc(F)cc1C(=O)N(Cc1cccnc1)C1CCCCC1 ZINC000426536499 570615246 /nfs/dbraw/zinc/61/52/46/570615246.db2.gz PNKLYAMZIKTKQU-UHFFFAOYSA-N 1 0 371.456 3.533 50 0 FHAARO COC(=O)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 ZINC000584904415 570664275 /nfs/dbraw/zinc/66/42/75/570664275.db2.gz MUUBGNGAEVGIIP-NHCUHLMSSA-N 1 0 356.510 3.702 50 0 FHAARO CCOc1ccc([N+]2=C3CCCCCN3[C@@](O)(c3cccs3)C2)cc1 ZINC000002974616 570678723 /nfs/dbraw/zinc/67/87/23/570678723.db2.gz XWTCQVMZOHWQIX-FQEVSTJZSA-N 1 0 357.499 3.797 50 0 FHAARO CCc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc(OC)cc3)C2)cc1 ZINC000002966303 570678947 /nfs/dbraw/zinc/67/89/47/570678947.db2.gz OVOVIRIYKBNDMA-JOCHJYFZSA-N 1 0 351.470 3.518 50 0 FHAARO CCOc1ccc([C@@]2(O)C[N+](c3cccc(C)c3C)=C3CCCCN32)cc1 ZINC000002966256 570678977 /nfs/dbraw/zinc/67/89/77/570678977.db2.gz MDECVIKGSNUKRQ-QHCPKHFHSA-N 1 0 365.497 3.962 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)CSc1ccc2ccccc2n1)c1ccccc1 ZINC000005627313 570682457 /nfs/dbraw/zinc/68/24/57/570682457.db2.gz PSNJMXHAYWJLEX-IBGZPJMESA-N 1 0 365.502 3.746 50 0 FHAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000011765149 570706120 /nfs/dbraw/zinc/70/61/20/570706120.db2.gz MQTJVGWFPYSRBT-OAQYLSRUSA-N 1 0 354.469 3.881 50 0 FHAARO Cc1ccoc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011775615 570706621 /nfs/dbraw/zinc/70/66/21/570706621.db2.gz ICMSLGMKYPHVAC-OAQYLSRUSA-N 1 0 374.431 3.995 50 0 FHAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000011821948 570708938 /nfs/dbraw/zinc/70/89/38/570708938.db2.gz FYPJYKPYKXHLJW-UHFFFAOYSA-N 1 0 370.468 3.917 50 0 FHAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1OC ZINC000011840944 570709394 /nfs/dbraw/zinc/70/93/94/570709394.db2.gz AILAKWMVBNVBMQ-QGZVFWFLSA-N 1 0 357.425 3.938 50 0 FHAARO CN(C)c1ncc(C[N@@H+]2CCC[C@](CO)(CCCc3ccccc3)C2)s1 ZINC000011843559 570709925 /nfs/dbraw/zinc/70/99/25/570709925.db2.gz RPRFXHSJIQBNTP-OAQYLSRUSA-N 1 0 373.566 3.807 50 0 FHAARO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@H]3CO)c(-c3ccc(F)cc3)n2)cc1 ZINC000011878426 570710842 /nfs/dbraw/zinc/71/08/42/570710842.db2.gz KXXGFUHFDUURBI-NRFANRHFSA-N 1 0 365.452 3.944 50 0 FHAARO Cc1occc1C(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000011874593 570710907 /nfs/dbraw/zinc/71/09/07/570710907.db2.gz BBMWFKYKYFDPDP-UHFFFAOYSA-N 1 0 358.457 3.754 50 0 FHAARO Cc1occc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000011934648 570712010 /nfs/dbraw/zinc/71/20/10/570712010.db2.gz BJUPEIVJTUVQDA-KRWDZBQOSA-N 1 0 358.457 3.754 50 0 FHAARO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2ccncc2)C1 ZINC000011937870 570712427 /nfs/dbraw/zinc/71/24/27/570712427.db2.gz NFHHEGCGUICLTA-NRFANRHFSA-N 1 0 374.431 3.748 50 0 FHAARO COc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OC1CC[NH+](C)CC1 ZINC000011996677 570713604 /nfs/dbraw/zinc/71/36/04/570713604.db2.gz KGTTWEXYBYZVDT-MRXNPFEDSA-N 1 0 368.477 3.659 50 0 FHAARO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)s1 ZINC000012002449 570713993 /nfs/dbraw/zinc/71/39/93/570713993.db2.gz HXUMZCVBRPVGPO-IBGZPJMESA-N 1 0 366.490 3.845 50 0 FHAARO COC[C@H](C)[NH2+]Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000012029424 570714492 /nfs/dbraw/zinc/71/44/92/570714492.db2.gz FWKJSPNBQGXWPY-ZDUSSCGKSA-N 1 0 368.408 3.894 50 0 FHAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)/C=C/C(C)C)cc1 ZINC000012031127 570714592 /nfs/dbraw/zinc/71/45/92/570714592.db2.gz FSPXQSSCHMHPPX-BJMVGYQFSA-N 1 0 358.526 3.620 50 0 FHAARO CC(C)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3cccc(Cl)c3)CC2)O1 ZINC000012040764 570715046 /nfs/dbraw/zinc/71/50/46/570715046.db2.gz WTZHACNOSBVXOR-GOSISDBHSA-N 1 0 364.917 3.626 50 0 FHAARO Cc1ncsc1CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000012051359 570715489 /nfs/dbraw/zinc/71/54/89/570715489.db2.gz WWQZLWBFPAKKRC-GOSISDBHSA-N 1 0 357.523 3.507 50 0 FHAARO COc1ccc(/C=C/C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000012074615 570716423 /nfs/dbraw/zinc/71/64/23/570716423.db2.gz JAECEXBMAWDCLR-NKSQBSFPSA-N 1 0 364.489 3.831 50 0 FHAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cccc(SC)c2)C1 ZINC000012089792 570718253 /nfs/dbraw/zinc/71/82/53/570718253.db2.gz KTCZSZCLXIIGOU-IBGZPJMESA-N 1 0 351.512 3.590 50 0 FHAARO O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000012193949 570725754 /nfs/dbraw/zinc/72/57/54/570725754.db2.gz RTGARYXYPUWXLY-UHFFFAOYSA-N 1 0 366.490 3.785 50 0 FHAARO OCC1(C[C@H]2CCCCO2)CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000012206729 570727663 /nfs/dbraw/zinc/72/76/63/570727663.db2.gz HGNPHPBUSQRMHI-MRXNPFEDSA-N 1 0 360.523 3.830 50 0 FHAARO CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)ccc1O ZINC000012209345 570728051 /nfs/dbraw/zinc/72/80/51/570728051.db2.gz XYZZEPUYSVDAFW-GOSISDBHSA-N 1 0 369.461 3.894 50 0 FHAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]C(C)C)C4)cc1 ZINC000012246013 570730998 /nfs/dbraw/zinc/73/09/98/570730998.db2.gz ASLUTYFKXVRPMR-MRXNPFEDSA-N 1 0 367.518 3.670 50 0 FHAARO CC(C)/C=C/C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000012304707 570734383 /nfs/dbraw/zinc/73/43/83/570734383.db2.gz LVOIIZVBEHRDRG-YWPBOTNQSA-N 1 0 352.482 3.939 50 0 FHAARO O=C(NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)C1=CCCC1 ZINC000012332390 570737159 /nfs/dbraw/zinc/73/71/59/570737159.db2.gz SQASFGZLRHHZRC-QFIPXVFZSA-N 1 0 362.473 3.849 50 0 FHAARO CSCc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC000012386365 570741281 /nfs/dbraw/zinc/74/12/81/570741281.db2.gz CHSSTRKGVUVPGY-SFHVURJKSA-N 1 0 372.534 3.922 50 0 FHAARO c1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)n[nH]1 ZINC000012434264 570744754 /nfs/dbraw/zinc/74/47/54/570744754.db2.gz BNVBWMNOCRKQKO-HXUWFJFHSA-N 1 0 367.541 3.852 50 0 FHAARO C[NH+](C)CCCN(C(=O)c1ccco1)c1nc2c(cc(F)cc2F)s1 ZINC000004359814 570758601 /nfs/dbraw/zinc/75/86/01/570758601.db2.gz NLBHFXATLSECPM-UHFFFAOYSA-N 1 0 365.405 3.766 50 0 FHAARO COCC[NH2+]CCCCOc1ccc2ccccc2c1Br ZINC000003461135 570770983 /nfs/dbraw/zinc/77/09/83/570770983.db2.gz YTPGWLXFQQOFFC-UHFFFAOYSA-N 1 0 352.272 3.997 50 0 FHAARO CCC(CC)[C@@H](CNC(=O)NCc1ccccc1COC)[NH+]1CCCC1 ZINC000071925654 570792456 /nfs/dbraw/zinc/79/24/56/570792456.db2.gz UKQPCNNKEPXCFJ-HXUWFJFHSA-N 1 0 361.530 3.533 50 0 FHAARO CN(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(c1ccccc1)c1ccccc1 ZINC000101126876 570817150 /nfs/dbraw/zinc/81/71/50/570817150.db2.gz STGZTOKYIHBLQL-BGYRXZFFSA-N 1 0 360.457 3.617 50 0 FHAARO O=C(Cc1c(F)cccc1Cl)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000005704788 570824068 /nfs/dbraw/zinc/82/40/68/570824068.db2.gz SPKIJRXRWGGHJN-MRXNPFEDSA-N 1 0 350.821 3.568 50 0 FHAARO C[C@H](CCc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032862662 570824493 /nfs/dbraw/zinc/82/44/93/570824493.db2.gz LGHHPGNDIGWJHQ-LJQANCHMSA-N 1 0 365.521 3.972 50 0 FHAARO C[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)C1 ZINC000016334627 570854685 /nfs/dbraw/zinc/85/46/85/570854685.db2.gz UVCFBZNFCJHWOD-FXAWDEMLSA-N 1 0 350.462 3.885 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(F)ccc2Br)C1 ZINC000046991741 570878156 /nfs/dbraw/zinc/87/81/56/570878156.db2.gz LWBOFXLJYAOVBD-CYBMUJFWSA-N 1 0 371.294 3.830 50 0 FHAARO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc(F)ccc2Br)C1 ZINC000046991742 570878267 /nfs/dbraw/zinc/87/82/67/570878267.db2.gz LWBOFXLJYAOVBD-ZDUSSCGKSA-N 1 0 371.294 3.830 50 0 FHAARO Fc1ccc(-c2cccc(N3CCC([NH2+]CCn4cccn4)CC3)c2)cc1 ZINC000019111538 570880439 /nfs/dbraw/zinc/88/04/39/570880439.db2.gz IYQWLHYPTBSIKW-UHFFFAOYSA-N 1 0 364.468 3.948 50 0 FHAARO C[C@@H](CNc1cc(C(=O)NC2CC2)c2ccccc2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000071954269 570881188 /nfs/dbraw/zinc/88/11/88/570881188.db2.gz WUIWBBNAEYYXBX-CVEARBPZSA-N 1 0 366.509 3.659 50 0 FHAARO CSc1cccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000047324607 570885264 /nfs/dbraw/zinc/88/52/64/570885264.db2.gz YXNMSGIDUXUNOZ-UHFFFAOYSA-N 1 0 356.495 3.590 50 0 FHAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000012074259 570888998 /nfs/dbraw/zinc/88/89/98/570888998.db2.gz SBMJDHLWBYBBLM-QGZVFWFLSA-N 1 0 354.450 3.776 50 0 FHAARO COCc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047521035 570890883 /nfs/dbraw/zinc/89/08/83/570890883.db2.gz GVPYOJMYWYJGQV-UHFFFAOYSA-N 1 0 371.456 3.758 50 0 FHAARO CC[N@@H+]1CCc2c3ccccc3[nH]c2[C@H](c2ccccc2)[C@@H](C(=O)OC)C1 ZINC000025185045 570891284 /nfs/dbraw/zinc/89/12/84/570891284.db2.gz PCWVASSHYFDVBB-PZJWPPBQSA-N 1 0 362.473 3.967 50 0 FHAARO c1cc(-c2ccc(N3CCC([NH2+]C4Cc5ccccc5C4)CC3)cc2)n[nH]1 ZINC000019595404 570895834 /nfs/dbraw/zinc/89/58/34/570895834.db2.gz GHHNQKDTPMMNOJ-UHFFFAOYSA-N 1 0 358.489 3.803 50 0 FHAARO CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019790424 570902923 /nfs/dbraw/zinc/90/29/23/570902923.db2.gz ZLTZPHKCSHMOCY-OAQYLSRUSA-N 1 0 368.521 3.546 50 0 FHAARO CCC[C@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000020725397 570924082 /nfs/dbraw/zinc/92/40/82/570924082.db2.gz GKOBUGRXDSTEBU-NRFANRHFSA-N 1 0 351.494 3.710 50 0 FHAARO CC1(C)CC(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)CC(C)(C)[NH2+]1 ZINC000010816650 570938169 /nfs/dbraw/zinc/93/81/69/570938169.db2.gz ULAHTDWSZZPUAD-UHFFFAOYSA-N 1 0 366.509 3.789 50 0 FHAARO CC(C)Oc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000048356143 570950069 /nfs/dbraw/zinc/95/00/69/570950069.db2.gz YHHUABBYIMTDKP-GOSISDBHSA-N 1 0 353.466 3.870 50 0 FHAARO CC(C)[N@@H+]1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)C[C@@H]1CCO ZINC000022932778 570953130 /nfs/dbraw/zinc/95/31/30/570953130.db2.gz MXUUGPKVKQPQJV-NRFANRHFSA-N 1 0 350.506 3.535 50 0 FHAARO CCC(CC)[C@@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)[NH+]1CCCC1 ZINC000048371089 570953605 /nfs/dbraw/zinc/95/36/05/570953605.db2.gz YXXJJYMXSNOAKH-HXUWFJFHSA-N 1 0 374.529 3.976 50 0 FHAARO CCOc1cc2c(cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1)O[C@H](C)C2 ZINC000022933801 570954032 /nfs/dbraw/zinc/95/40/32/570954032.db2.gz CUOMTNSDJHCUTN-VQIMIIECSA-N 1 0 370.493 3.928 50 0 FHAARO C[NH+]1CCC(n2[nH]cc3nc(-c4ccc([C@H]5CCCO5)s4)nc2-3)CC1 ZINC000023214341 570959517 /nfs/dbraw/zinc/95/95/17/570959517.db2.gz LFAIRISHQSAKNJ-CQSZACIVSA-N 1 0 357.483 3.606 50 0 FHAARO CC[NH+](CC)CCCNc1nc2sc3c(c2c2ncnn21)[C@H](C)CCC3 ZINC000005562815 570962218 /nfs/dbraw/zinc/96/22/18/570962218.db2.gz RWGUXNFHIQWTQR-CYBMUJFWSA-N 1 0 372.542 3.923 50 0 FHAARO O=C(NCCNc1cccnc1)c1ccc([C@H]2CCC[N@@H+]2C2CCC2)s1 ZINC000023398064 570963265 /nfs/dbraw/zinc/96/32/65/570963265.db2.gz AOORYBWMNKZYDR-QGZVFWFLSA-N 1 0 370.522 3.674 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2cc(C)c(C)s2)[NH+]2CCCC2)cc1 ZINC000023486421 570964249 /nfs/dbraw/zinc/96/42/49/570964249.db2.gz WIENXRSJEBGZPV-GOSISDBHSA-N 1 0 358.507 3.940 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4ccccc4n3)c(C)c2)CC1 ZINC000025184946 570991948 /nfs/dbraw/zinc/99/19/48/570991948.db2.gz PIBBRTJCZPGXMS-UHFFFAOYSA-N 1 0 374.488 3.937 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1Br)c1ccsc1 ZINC000025330816 570994345 /nfs/dbraw/zinc/99/43/45/570994345.db2.gz ROOVPDHBACHQKB-AWEZNQCLSA-N 1 0 371.275 3.682 50 0 FHAARO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000026114169 571003068 /nfs/dbraw/zinc/00/30/68/571003068.db2.gz NMYSKEHYZXNNRD-KRWDZBQOSA-N 1 0 358.526 3.874 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccs2)cc1 ZINC000026310922 571004539 /nfs/dbraw/zinc/00/45/39/571004539.db2.gz KDTQVNREAUIFNY-AWEZNQCLSA-N 1 0 352.525 3.629 50 0 FHAARO CCN(CC)C(=O)c1cccc(NC(=O)C[NH+](CC(C)C)CC(C)C)c1 ZINC000026647815 571007297 /nfs/dbraw/zinc/00/72/97/571007297.db2.gz VPLIKDQCVMVZSU-UHFFFAOYSA-N 1 0 361.530 3.721 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)CCC(=O)c1cccs1)c1ccccc1 ZINC000039975659 571007887 /nfs/dbraw/zinc/00/78/87/571007887.db2.gz JSFNRTNJTJZAOZ-QGZVFWFLSA-N 1 0 358.507 3.910 50 0 FHAARO CC[NH+](CC)CCCn1c(N)c(C(=O)NC2CCCCC2)sc1=S ZINC000032952257 571008262 /nfs/dbraw/zinc/00/82/62/571008262.db2.gz YFYMJDGTCDNDQQ-UHFFFAOYSA-N 1 0 370.588 3.656 50 0 FHAARO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027333650 571011580 /nfs/dbraw/zinc/01/15/80/571011580.db2.gz USEMTEUXFTWTGY-RHSMWYFYSA-N 1 0 362.857 3.654 50 0 FHAARO O=C(COc1ccccc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027583853 571015022 /nfs/dbraw/zinc/01/50/22/571015022.db2.gz LDERTSPJYRHYSU-LJQANCHMSA-N 1 0 358.869 3.672 50 0 FHAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027583867 571015052 /nfs/dbraw/zinc/01/50/52/571015052.db2.gz KGVLFMSLSNYMSC-FQEVSTJZSA-N 1 0 372.896 3.981 50 0 FHAARO Cc1c(Cl)cn2c(=O)cc(C[NH2+]CCc3ccccc3)nc2c1Cl ZINC000040161216 571026536 /nfs/dbraw/zinc/02/65/36/571026536.db2.gz MKFIKXPUCSMEQX-UHFFFAOYSA-N 1 0 362.260 3.642 50 0 FHAARO O[C@@H](C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000028264440 571028770 /nfs/dbraw/zinc/02/87/70/571028770.db2.gz JGUKPLVOUZYGOC-FQEVSTJZSA-N 1 0 362.876 3.720 50 0 FHAARO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000028727466 571034151 /nfs/dbraw/zinc/03/41/51/571034151.db2.gz HJZRZNPNQQBYEM-GFCCVEGCSA-N 1 0 372.412 3.546 50 0 FHAARO Cc1ccc(Cc2cnc(NC(=O)N3CC[NH+](C(C)C)CC3)s2)cc1 ZINC000072280724 571034771 /nfs/dbraw/zinc/03/47/71/571034771.db2.gz OKPGMQDYWLZAQT-UHFFFAOYSA-N 1 0 358.511 3.600 50 0 FHAARO CC(=O)c1ccc(NC(=O)CC[N@H+](C)CCOc2ccc(C)cc2)cc1 ZINC000028901527 571035121 /nfs/dbraw/zinc/03/51/21/571035121.db2.gz YRBTUKJWCWACMF-UHFFFAOYSA-N 1 0 354.450 3.537 50 0 FHAARO Cc1cccc(NC[C@H]2CC[N@H+](CCCc3nc4ccccc4o3)C2)n1 ZINC000225542347 571044465 /nfs/dbraw/zinc/04/44/65/571044465.db2.gz VCMRGPARVWQNRV-QGZVFWFLSA-N 1 0 350.466 3.898 50 0 FHAARO Cc1ccc(C[N@@H+](C)Cc2cc(=O)n3c4c(sc3n2)CCCC4)cc1 ZINC000008406047 571046019 /nfs/dbraw/zinc/04/60/19/571046019.db2.gz UFMCLWJRFUEJLW-UHFFFAOYSA-N 1 0 353.491 3.575 50 0 FHAARO Cc1cc(OCC(=O)NCC2([NH+](C)C)CCCCC2)cc(C)c1Cl ZINC000008673939 571054446 /nfs/dbraw/zinc/05/44/46/571054446.db2.gz QLUUDIVFPTWKPQ-UHFFFAOYSA-N 1 0 352.906 3.716 50 0 FHAARO C[N@H+](Cc1ccccc1-c1ccccc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000083865615 571055318 /nfs/dbraw/zinc/05/53/18/571055318.db2.gz WKYKFWNIOINETO-GOSISDBHSA-N 1 0 362.395 3.949 50 0 FHAARO Cc1csc2c1ncn(C[C@H]1CCC[N@H+](CCc3ccccc3)C1)c2=O ZINC000032553401 571058366 /nfs/dbraw/zinc/05/83/66/571058366.db2.gz YNHVTVGIMNWMIZ-SFHVURJKSA-N 1 0 367.518 3.721 50 0 FHAARO CCOc1cc2c(cc1C[NH2+]Cc1ccc(NC(C)=O)cc1)O[C@@H](C)C2 ZINC000008750687 571059335 /nfs/dbraw/zinc/05/93/35/571059335.db2.gz YCKLQECYLVPGAS-AWEZNQCLSA-N 1 0 354.450 3.657 50 0 FHAARO CC(=O)c1cccc(OCCOCC[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000008764339 571060645 /nfs/dbraw/zinc/06/06/45/571060645.db2.gz KNOKMRKWVSKSJZ-QFIPXVFZSA-N 1 0 368.477 3.907 50 0 FHAARO O=C(c1ccccc1)N1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000225770894 571064474 /nfs/dbraw/zinc/06/44/74/571064474.db2.gz FBOGFRDZMNOUJC-AUSIDOKSSA-N 1 0 371.484 3.923 50 0 FHAARO C[NH+](C)Cc1cccc(CNC(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000043602178 571065489 /nfs/dbraw/zinc/06/54/89/571065489.db2.gz AYCULOVVINPWBH-UHFFFAOYSA-N 1 0 373.526 3.969 50 0 FHAARO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC(C)(C)C ZINC000040002633 571067240 /nfs/dbraw/zinc/06/72/40/571067240.db2.gz ZZRCCBMZLYLCCO-VQIMIIECSA-N 1 0 367.493 3.573 50 0 FHAARO CCOc1ccccc1C[NH2+]CC[C@](O)(c1ccc(C)o1)C(F)(F)F ZINC000040088622 571074331 /nfs/dbraw/zinc/07/43/31/571074331.db2.gz SZITWVNRXRHMNN-KRWDZBQOSA-N 1 0 357.372 3.917 50 0 FHAARO COc1ccc(OC)c(C[NH2+]CCCNc2ccc(C(F)(F)F)cn2)c1 ZINC000040088633 571074336 /nfs/dbraw/zinc/07/43/36/571074336.db2.gz XOIOZEIBSJSFHB-UHFFFAOYSA-N 1 0 369.387 3.709 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2Cn2ccnc2)cc1 ZINC000040091400 571075044 /nfs/dbraw/zinc/07/50/44/571075044.db2.gz QKEBWQQBSMVELD-UHFFFAOYSA-N 1 0 361.424 3.750 50 0 FHAARO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000040103969 571076605 /nfs/dbraw/zinc/07/66/05/571076605.db2.gz VKIHTFREMCVFSB-FGTMMUONSA-N 1 0 358.530 3.775 50 0 FHAARO CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000040103823 571076661 /nfs/dbraw/zinc/07/66/61/571076661.db2.gz OKSSCEHUUOQLTB-UHFFFAOYSA-N 1 0 366.509 3.801 50 0 FHAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COc2ccccc2)C1 ZINC000040107105 571078267 /nfs/dbraw/zinc/07/82/67/571078267.db2.gz CEDLHKDTRCLSMS-GOSISDBHSA-N 1 0 352.478 3.614 50 0 FHAARO C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000060275009 571083148 /nfs/dbraw/zinc/08/31/48/571083148.db2.gz WGTILHOOMYKTLU-CTNGQTDRSA-N 1 0 358.526 3.562 50 0 FHAARO COc1ccc(S[C@@H](C)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000040153894 571086749 /nfs/dbraw/zinc/08/67/49/571086749.db2.gz JFCVWSWUOJCBTF-SUMWQHHRSA-N 1 0 364.536 3.656 50 0 FHAARO CC(=O)c1cc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)cs1 ZINC000039551022 571089770 /nfs/dbraw/zinc/08/97/70/571089770.db2.gz DBLOIYKCZFAVBN-IBGZPJMESA-N 1 0 354.519 3.672 50 0 FHAARO COCc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)sc2cccc(F)c21 ZINC000229713875 571095046 /nfs/dbraw/zinc/09/50/46/571095046.db2.gz WNAUNNQWHHAPLQ-CABCVRRESA-N 1 0 362.470 3.543 50 0 FHAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OCc1c(F)cccc1Cl ZINC000040742626 571095491 /nfs/dbraw/zinc/09/54/91/571095491.db2.gz CVVURXTUGXPENA-UHFFFAOYSA-N 1 0 374.239 3.802 50 0 FHAARO Cc1ccccc1COc1ccc(Br)cc1C[NH2+]C[C@H](C)O ZINC000040744034 571096007 /nfs/dbraw/zinc/09/60/07/571096007.db2.gz GKYSEUKGINKVLK-AWEZNQCLSA-N 1 0 364.283 3.807 50 0 FHAARO OCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000040744892 571096498 /nfs/dbraw/zinc/09/64/98/571096498.db2.gz QKQOWRWIUBOXET-UHFFFAOYSA-N 1 0 368.246 3.639 50 0 FHAARO Cc1ccc2cc(S(=O)(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc2c1 ZINC000004593569 571099212 /nfs/dbraw/zinc/09/92/12/571099212.db2.gz FNQQLSRCMACRFJ-UHFFFAOYSA-N 1 0 360.523 3.736 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000009211386 571101228 /nfs/dbraw/zinc/10/12/28/571101228.db2.gz ZQLCQDBTTMOTRM-ZDUSSCGKSA-N 1 0 362.564 3.815 50 0 FHAARO Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000004275253 571101692 /nfs/dbraw/zinc/10/16/92/571101692.db2.gz UGFWTLOPKVJLIV-UHFFFAOYSA-N 1 0 371.506 3.567 50 0 FHAARO C[C@H]1C[N@H+](CCC(=O)c2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000239439241 571108420 /nfs/dbraw/zinc/10/84/20/571108420.db2.gz ZQDSJXICMNDKBG-QFBILLFUSA-N 1 0 351.446 3.766 50 0 FHAARO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)ccc1C ZINC000239722497 571108606 /nfs/dbraw/zinc/10/86/06/571108606.db2.gz CCYPBZRWDDLWCY-UHFFFAOYSA-N 1 0 373.884 3.903 50 0 FHAARO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H](OCC)C23CCCC3)cc1 ZINC000241564166 571109925 /nfs/dbraw/zinc/10/99/25/571109925.db2.gz ORYRAXXLYBBTJG-IPELMVKDSA-N 1 0 360.498 3.740 50 0 FHAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2cccnc2)no1 ZINC000243893574 571112310 /nfs/dbraw/zinc/11/23/10/571112310.db2.gz ASLLSDQEUGSOAO-SFHVURJKSA-N 1 0 351.454 3.686 50 0 FHAARO CCc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](OCc2ccccn2)C1 ZINC000243956973 571113030 /nfs/dbraw/zinc/11/30/30/571113030.db2.gz CFBIOLATDTWCBJ-HXUWFJFHSA-N 1 0 367.493 3.654 50 0 FHAARO Cc1cc(C)c(NC(=O)CC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000244673948 571114274 /nfs/dbraw/zinc/11/42/74/571114274.db2.gz HYRISHFSIBSRHQ-JXFKEZNVSA-N 1 0 364.917 3.912 50 0 FHAARO CC(C)n1ccnc1[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000244652037 571114296 /nfs/dbraw/zinc/11/42/96/571114296.db2.gz GYQMDHPJWVTJFM-GOSISDBHSA-N 1 0 362.481 3.696 50 0 FHAARO Cc1cc(C)c(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)c(C)c1CO ZINC000055153820 571116813 /nfs/dbraw/zinc/11/68/13/571116813.db2.gz IOYWPOYGLYUHIP-FQEVSTJZSA-N 1 0 354.494 3.680 50 0 FHAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000009689680 571117068 /nfs/dbraw/zinc/11/70/68/571117068.db2.gz WRQNQQHVPDZXIK-OAQYLSRUSA-N 1 0 365.477 3.504 50 0 FHAARO O[C@@H](C[NH2+]C[C@@H]1CC1(Cl)Cl)COc1ccc(-c2ccccc2)cc1 ZINC000006085911 571119010 /nfs/dbraw/zinc/11/90/10/571119010.db2.gz AJPQLHOKRRLUMH-IRXDYDNUSA-N 1 0 366.288 3.877 50 0 FHAARO COc1cccc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3F)C2)c1OC ZINC000244899821 571120116 /nfs/dbraw/zinc/12/01/16/571120116.db2.gz ZRBNZPXVXFQHBV-HNNXBMFYSA-N 1 0 372.440 3.661 50 0 FHAARO COc1ccc2cc(C(=O)NCc3ccccc3C[NH+](C)C)c(C)nc2c1 ZINC000009917572 571120857 /nfs/dbraw/zinc/12/08/57/571120857.db2.gz TVSZOKFWVZYEOS-UHFFFAOYSA-N 1 0 363.461 3.543 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)Cc1cccc2ccccc21)c1ccc(F)cc1 ZINC000010329680 571125313 /nfs/dbraw/zinc/12/53/13/571125313.db2.gz MYGNBGPWRZUJJY-NRFANRHFSA-N 1 0 350.437 3.941 50 0 FHAARO CCCn1nc(C[NH2+]CCc2ccccc2OC)c(-c2ccccc2)n1 ZINC000247987349 571127014 /nfs/dbraw/zinc/12/70/14/571127014.db2.gz JERTVOMCHHYWDH-UHFFFAOYSA-N 1 0 350.466 3.696 50 0 FHAARO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000248163193 571128253 /nfs/dbraw/zinc/12/82/53/571128253.db2.gz MRFYOPSNBPJVAS-KRWDZBQOSA-N 1 0 356.514 3.746 50 0 FHAARO O=C(CSc1ccccc1)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252485686 571132198 /nfs/dbraw/zinc/13/21/98/571132198.db2.gz HBRCMTKVFKTUAH-LJQANCHMSA-N 1 0 354.519 3.807 50 0 FHAARO Clc1ccc(OCc2cccnc2)c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000075780453 571139117 /nfs/dbraw/zinc/13/91/17/571139117.db2.gz JWPFFBZVLHYIJG-INIZCTEOSA-N 1 0 371.912 3.888 50 0 FHAARO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000012915286 571144444 /nfs/dbraw/zinc/14/44/44/571144444.db2.gz UODYLLWYRJXSBF-UHFFFAOYSA-N 1 0 364.555 3.839 50 0 FHAARO COc1ccccc1C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CC1 ZINC000036102905 571149098 /nfs/dbraw/zinc/14/90/98/571149098.db2.gz KCOZZQRNPGLOMT-SFHVURJKSA-N 1 0 361.869 3.753 50 0 FHAARO CCC[N@@H+]1CCC[C@@H](CNc2nc(C3CCCC3)nc3c2cnn3C)C1 ZINC000072135404 571171325 /nfs/dbraw/zinc/17/13/25/571171325.db2.gz VBHAQHQMBOVXCS-HNNXBMFYSA-N 1 0 356.518 3.555 50 0 FHAARO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(OC4CCCC4)cc3)C2)cc(=O)[nH]1 ZINC000072143448 571172414 /nfs/dbraw/zinc/17/24/14/571172414.db2.gz RQEOECWQEWIQGP-GOSISDBHSA-N 1 0 367.493 3.779 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1cc2ccccc2o1 ZINC000575620013 571172547 /nfs/dbraw/zinc/17/25/47/571172547.db2.gz HOMYMYUQEOBCGX-HNNXBMFYSA-N 1 0 367.405 3.586 50 0 FHAARO COc1ccccc1NC(=O)NC[C@@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575619994 571172606 /nfs/dbraw/zinc/17/26/06/571172606.db2.gz HILMNAVAZUFZFB-INIZCTEOSA-N 1 0 353.422 3.866 50 0 FHAARO CCOc1ccccc1NC(=O)N(Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000072147403 571173690 /nfs/dbraw/zinc/17/36/90/571173690.db2.gz XYBUPWVMBLVRSE-UHFFFAOYSA-N 1 0 368.481 3.609 50 0 FHAARO COc1c(F)cc(CN2CCC[N@H+](Cc3ccncc3)CC2)cc1Cl ZINC000072161438 571175731 /nfs/dbraw/zinc/17/57/31/571175731.db2.gz LSCAGJQAFJHOQH-UHFFFAOYSA-N 1 0 363.864 3.591 50 0 FHAARO CNc1nc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)cs1 ZINC000072162314 571175975 /nfs/dbraw/zinc/17/59/75/571175975.db2.gz RNAORIJMVHUOBV-CMKODMSKSA-N 1 0 357.523 3.837 50 0 FHAARO CC[NH+]1CCN(c2ccccc2NC(=O)CCCc2cccs2)CC1 ZINC000012537050 571176351 /nfs/dbraw/zinc/17/63/51/571176351.db2.gz CXBWENALYZBWEI-UHFFFAOYSA-N 1 0 357.523 3.851 50 0 FHAARO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+](C)C1CCCCC1)CCC2 ZINC000003237473 571177086 /nfs/dbraw/zinc/17/70/86/571177086.db2.gz YXVVBJZXBDGEKC-UHFFFAOYSA-N 1 0 364.511 3.617 50 0 FHAARO CC[C@@H](Nc1nc(-c2ccncc2)nc2c1C[NH2+]C2)c1nc(C)c(C)s1 ZINC000072169583 571177344 /nfs/dbraw/zinc/17/73/44/571177344.db2.gz MNUMJENFCIRDHR-OAHLLOKOSA-N 1 0 366.494 3.778 50 0 FHAARO CC(C)n1ccnc1CN1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072174249 571177742 /nfs/dbraw/zinc/17/77/42/571177742.db2.gz ZBVDPZMMVWGGKS-KSEOMHKRSA-N 1 0 368.500 3.665 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C(C)(C)O)cs2)cc1OC ZINC000118981444 571177875 /nfs/dbraw/zinc/17/78/75/571177875.db2.gz CFKPJAPZHCWLAO-KRWDZBQOSA-N 1 0 362.495 3.563 50 0 FHAARO C[NH+](C)C[C@H]1CSCCCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000090608935 571179864 /nfs/dbraw/zinc/17/98/64/571179864.db2.gz KEEUIFJUXYSBAB-AWEZNQCLSA-N 1 0 361.433 3.606 50 0 FHAARO O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000003359723 571181516 /nfs/dbraw/zinc/18/15/16/571181516.db2.gz YITGGRZZIXVZEW-QGZVFWFLSA-N 1 0 362.857 3.655 50 0 FHAARO CC(C)(O)CCc1cccc(C(=O)NCC2([NH+]3CCCC3)CCCC2)c1 ZINC000072421603 571193259 /nfs/dbraw/zinc/19/32/59/571193259.db2.gz WTANLWBMYKGWNN-UHFFFAOYSA-N 1 0 358.526 3.529 50 0 FHAARO CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000072421943 571193333 /nfs/dbraw/zinc/19/33/33/571193333.db2.gz SDBHKVHSCBJVJJ-GOSISDBHSA-N 1 0 369.852 3.523 50 0 FHAARO CNc1nc(N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)nc2c1CCC2 ZINC000072427906 571194791 /nfs/dbraw/zinc/19/47/91/571194791.db2.gz NXFUTHJJSMAYJR-MRXNPFEDSA-N 1 0 371.916 3.737 50 0 FHAARO CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000072429211 571195188 /nfs/dbraw/zinc/19/51/88/571195188.db2.gz QYAVOTBLASARKA-IBGZPJMESA-N 1 0 361.445 3.691 50 0 FHAARO CC(C)c1cc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)no1 ZINC000072448225 571197325 /nfs/dbraw/zinc/19/73/25/571197325.db2.gz XNPJSDTZOJVTAV-UHFFFAOYSA-N 1 0 357.498 3.525 50 0 FHAARO CCc1ccccc1-c1nccn1CC1([NH+]2CCN(C)CC2)CCCC1 ZINC000072476221 571199150 /nfs/dbraw/zinc/19/91/50/571199150.db2.gz JOGHGDILQJVTDV-UHFFFAOYSA-N 1 0 352.526 3.673 50 0 FHAARO Nc1ncccc1CN1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072480268 571199856 /nfs/dbraw/zinc/19/98/56/571199856.db2.gz OJYVEWKOWBRYIT-QFIPXVFZSA-N 1 0 350.510 3.542 50 0 FHAARO CCC[C@H](C)N1CC2(CC[NH+](Cc3ccc4nsnc4c3)CC2)OC1=O ZINC000072479231 571199949 /nfs/dbraw/zinc/19/99/49/571199949.db2.gz HHSVMVWUHUZSFO-AWEZNQCLSA-N 1 0 374.510 3.667 50 0 FHAARO c1ccc([C@@H]2C[C@H](c3noc(CCc4cccnc4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299796633 571202149 /nfs/dbraw/zinc/20/21/49/571202149.db2.gz NUHNYDMNYCNNRR-ZCNNSNEGSA-N 1 0 360.461 3.943 50 0 FHAARO COCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-c3ccc(C)cc3)c2)C1 ZINC000299796745 571202518 /nfs/dbraw/zinc/20/25/18/571202518.db2.gz PIRIPXWWCREUKO-LJQANCHMSA-N 1 0 366.505 3.750 50 0 FHAARO CSc1ccc(CN(C(=O)NCC2(C[NH+]3CCCC3)CC2)C2CC2)cc1 ZINC000534576654 571204725 /nfs/dbraw/zinc/20/47/25/571204725.db2.gz RZILGKWYTOKQON-UHFFFAOYSA-N 1 0 373.566 3.959 50 0 FHAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc(-c3ccc4c[nH]nc4c3)c2)C1 ZINC000534662608 571209025 /nfs/dbraw/zinc/20/90/25/571209025.db2.gz NKARHHBQPAZSEF-INIZCTEOSA-N 1 0 374.488 3.929 50 0 FHAARO Cc1ccc(CNc2cccc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)c2)s1 ZINC000534673139 571209118 /nfs/dbraw/zinc/20/91/18/571209118.db2.gz XVXSSMMCSIVPGY-NRFANRHFSA-N 1 0 369.534 3.884 50 0 FHAARO CC[N@H+](C)C1(CNC(=O)c2cccc(-c3ccc(O)cn3)c2)CCCCC1 ZINC000534676078 571209229 /nfs/dbraw/zinc/20/92/29/571209229.db2.gz NTLHYLBDKCIOFV-UHFFFAOYSA-N 1 0 367.493 3.839 50 0 FHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)CCCc2cn[nH]c2)cc1 ZINC000077378058 571209469 /nfs/dbraw/zinc/20/94/69/571209469.db2.gz ODVCVHWTHQGUHR-FQEVSTJZSA-N 1 0 354.498 3.548 50 0 FHAARO COc1ccc(CN(C(=O)c2ccco2)[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000006576888 571210333 /nfs/dbraw/zinc/21/03/33/571210333.db2.gz SUTXCIMFRCHMFF-FRQCXROJSA-N 1 0 356.466 3.659 50 0 FHAARO CCCCN1CN(CCC[NH+]2CCCCC2)Cn2c3ccccc3nc21 ZINC000006590327 571211109 /nfs/dbraw/zinc/21/11/09/571211109.db2.gz IMNBOMJDFHSIJS-UHFFFAOYSA-N 1 0 355.530 3.749 50 0 FHAARO c1sc(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)nc1-c1ccccc1 ZINC000077458131 571212296 /nfs/dbraw/zinc/21/22/96/571212296.db2.gz SGYCQAQQEQBVKP-KRWDZBQOSA-N 1 0 358.507 3.670 50 0 FHAARO Cn1cc(Cl)c(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000077534790 571214824 /nfs/dbraw/zinc/21/48/24/571214824.db2.gz QKTOPHXLCBSIAU-QGZVFWFLSA-N 1 0 360.889 3.503 50 0 FHAARO COc1ccccc1-c1cccc(NC(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000077712102 571215500 /nfs/dbraw/zinc/21/55/00/571215500.db2.gz HFJJSTBWVUZYQE-SFHVURJKSA-N 1 0 353.466 3.920 50 0 FHAARO CC1(C)C[N@@H+](C2CCN(C(=O)c3ccccn3)CC2)C[C@H]1c1ccccc1 ZINC000426379723 571216987 /nfs/dbraw/zinc/21/69/87/571216987.db2.gz MLFFVKOVYWQIGN-FQEVSTJZSA-N 1 0 363.505 3.812 50 0 FHAARO CCn1cc(-c2cccc(C(=O)N3CCCC[C@@H]3C[NH+]3CCCC3)c2)cn1 ZINC000426380676 571217220 /nfs/dbraw/zinc/21/72/20/571217220.db2.gz RGDNTAWEJCTFCA-OAQYLSRUSA-N 1 0 366.509 3.661 50 0 FHAARO C[N@H+](CCCOc1ccc(Cl)cc1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000082099699 571228151 /nfs/dbraw/zinc/22/81/51/571228151.db2.gz ZGTCKHPFSQKEAS-QGZVFWFLSA-N 1 0 353.890 3.769 50 0 FHAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1nc(C2CC2)no1 ZINC000426494012 571228196 /nfs/dbraw/zinc/22/81/96/571228196.db2.gz KEFIECXWVCSTFL-HNNXBMFYSA-N 1 0 368.481 3.814 50 0 FHAARO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)c2ccc(F)cc2n1 ZINC000082106636 571228362 /nfs/dbraw/zinc/22/83/62/571228362.db2.gz VLQIPPLRZSMMPH-QGZVFWFLSA-N 1 0 355.457 3.773 50 0 FHAARO COCC[N@@H+]1CCC[C@]2(CCN(c3ccnc4cc(Cl)ccc43)C2)C1 ZINC000426504402 571228976 /nfs/dbraw/zinc/22/89/76/571228976.db2.gz BUOMWCULTTUTCV-FQEVSTJZSA-N 1 0 359.901 3.827 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)NCCOc2ccccc2)cc1 ZINC000426514888 571229572 /nfs/dbraw/zinc/22/95/72/571229572.db2.gz QUTZQZQQNLZYCV-OAQYLSRUSA-N 1 0 367.493 3.674 50 0 FHAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000426574864 571231994 /nfs/dbraw/zinc/23/19/94/571231994.db2.gz WJVJQWUHHVTRHV-INIZCTEOSA-N 1 0 372.896 3.705 50 0 FHAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(-c2cc(F)c(F)cc2O)c1 ZINC000426613698 571233315 /nfs/dbraw/zinc/23/33/15/571233315.db2.gz YAYZAJZVICXZFT-MRXNPFEDSA-N 1 0 374.431 3.894 50 0 FHAARO Cc1cccc(C(=O)c2ccccc2C[NH+]2CCC3(CC2)OCCO3)c1C ZINC000085651567 571233618 /nfs/dbraw/zinc/23/36/18/571233618.db2.gz MAESXVMBWIVHIL-UHFFFAOYSA-N 1 0 365.473 3.873 50 0 FHAARO C[C@H](c1ccc(-c2cc(N3CCCC3)nc(N)n2)cc1)[NH+]1CCCCC1 ZINC000426726915 571236740 /nfs/dbraw/zinc/23/67/40/571236740.db2.gz QILRHKGZJCMVJZ-MRXNPFEDSA-N 1 0 351.498 3.703 50 0 FHAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)ccc1Cl ZINC000091269654 571238540 /nfs/dbraw/zinc/23/85/40/571238540.db2.gz JNYINNWZROQMPF-PKOBYXMFSA-N 1 0 369.896 3.780 50 0 FHAARO COc1ccc2c(cc(C(=O)NC[C@@H](c3sccc3C)[NH+](C)C)n2C)c1 ZINC000091425636 571239494 /nfs/dbraw/zinc/23/94/94/571239494.db2.gz JCBIETYSDGVDGX-SFHVURJKSA-N 1 0 371.506 3.590 50 0 FHAARO Cc1[nH]c2c(c1CC(=O)NCCC13CCC[NH+]1CCC3)c(C)ccc2C ZINC000091435076 571239632 /nfs/dbraw/zinc/23/96/32/571239632.db2.gz YUAIIXTYHZMWID-UHFFFAOYSA-N 1 0 353.510 3.770 50 0 FHAARO COc1ccc([C@@H]2CN(Cc3ccc(O)cc3Cl)C[C@H]2[NH+](C)C)cc1 ZINC000091461985 571239937 /nfs/dbraw/zinc/23/99/37/571239937.db2.gz RWZZALROEMABOM-AZUAARDMSA-N 1 0 360.885 3.584 50 0 FHAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C)c(C)c1)CC2 ZINC000091574136 571240820 /nfs/dbraw/zinc/24/08/20/571240820.db2.gz BNZNXDCGPMWEEP-UHFFFAOYSA-N 1 0 358.526 3.545 50 0 FHAARO CC(C)(Oc1ccccc1)C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091616367 571241394 /nfs/dbraw/zinc/24/13/94/571241394.db2.gz UMSHFAUGDJLBGP-RTBURBONSA-N 1 0 356.510 3.567 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ncccn3)CC2)C1 ZINC000091643939 571241460 /nfs/dbraw/zinc/24/14/60/571241460.db2.gz MBRXFODSRCSPFA-FQEVSTJZSA-N 1 0 350.510 3.568 50 0 FHAARO COc1cccc(C[N@H+](CC(C)C)C[C@@H](O)COCc2ccccc2)c1 ZINC000036100078 571241547 /nfs/dbraw/zinc/24/15/47/571241547.db2.gz QVIZZSBIFRPYDF-OAQYLSRUSA-N 1 0 357.494 3.731 50 0 FHAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000091665491 571242051 /nfs/dbraw/zinc/24/20/51/571242051.db2.gz FXZVZPPCOSKHRM-UHFFFAOYSA-N 1 0 371.550 3.747 50 0 FHAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3nnc(C4CC4)o3)CC2)C1 ZINC000091657120 571242062 /nfs/dbraw/zinc/24/20/62/571242062.db2.gz MYZPCXNOHCSCKP-IBGZPJMESA-N 1 0 366.509 3.649 50 0 FHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2csc(C)c2)C3)cc1 ZINC000091663927 571242082 /nfs/dbraw/zinc/24/20/82/571242082.db2.gz PEEVOIFDFCJHKR-PKOBYXMFSA-N 1 0 370.518 3.802 50 0 FHAARO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000036103230 571242207 /nfs/dbraw/zinc/24/22/07/571242207.db2.gz LROSXZZDFXQNTH-OAQYLSRUSA-N 1 0 351.446 3.860 50 0 FHAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104315 571242270 /nfs/dbraw/zinc/24/22/70/571242270.db2.gz SECPKOQJOOHIOI-HXUWFJFHSA-N 1 0 359.441 3.532 50 0 FHAARO CCOc1cc(C)c(CN2C[C@@H](CO)C[C@H](C[NH+](C)C)C2)cc1C(C)C ZINC000091746164 571243308 /nfs/dbraw/zinc/24/33/08/571243308.db2.gz UDOSAGAQTRGLTR-MOPGFXCFSA-N 1 0 362.558 3.509 50 0 FHAARO CC[C@@H](C)[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)COCc1ccco1 ZINC000169678032 571246978 /nfs/dbraw/zinc/24/69/78/571246978.db2.gz IOOGXHSFONREPU-RHSMWYFYSA-N 1 0 353.409 3.736 50 0 FHAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000169680661 571247178 /nfs/dbraw/zinc/24/71/78/571247178.db2.gz UOVDWAMJYCHVQU-BEFAXECRSA-N 1 0 372.900 3.724 50 0 FHAARO CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC000006831464 571249367 /nfs/dbraw/zinc/24/93/67/571249367.db2.gz SMWLNRDIIOIBEP-UHFFFAOYSA-N 1 0 373.884 3.743 50 0 FHAARO CC[NH+]1CCC(N(Cc2ccco2)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000006877596 571252192 /nfs/dbraw/zinc/25/21/92/571252192.db2.gz OUNKHHCEMICXIU-UHFFFAOYSA-N 1 0 357.454 3.807 50 0 FHAARO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c[nH+]ccc1N(C)C ZINC000036390935 571252549 /nfs/dbraw/zinc/25/25/49/571252549.db2.gz CVMIETMZFMEONE-JTQLQIEISA-N 1 0 354.237 3.860 50 0 FHAARO Cc1ccc(-n2cccc2CC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000065170855 571255583 /nfs/dbraw/zinc/25/55/83/571255583.db2.gz JHCWXSZLMHAMGE-UHFFFAOYSA-N 1 0 365.521 3.805 50 0 FHAARO CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000170091109 571262212 /nfs/dbraw/zinc/26/22/12/571262212.db2.gz RJRQRFIALCMIOS-AWEZNQCLSA-N 1 0 371.930 3.852 50 0 FHAARO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000037222261 571266088 /nfs/dbraw/zinc/26/60/88/571266088.db2.gz BMFOXBJYAQQZII-WMZOPIPTSA-N 1 0 373.541 3.601 50 0 FHAARO CN(Cc1ccc(Br)cc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000170614524 571268080 /nfs/dbraw/zinc/26/80/80/571268080.db2.gz JNACFHOFUWZZFH-MRXNPFEDSA-N 1 0 353.304 3.672 50 0 FHAARO O=C(CC[NH+]1CCCC1)N1N=C(c2ccsc2)C[C@@H]1c1ccsc1 ZINC000170618173 571268441 /nfs/dbraw/zinc/26/84/41/571268441.db2.gz GOBKUBJZUQBXKH-QGZVFWFLSA-N 1 0 359.520 3.973 50 0 FHAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000237630860 571277253 /nfs/dbraw/zinc/27/72/53/571277253.db2.gz DNQSOZUPVQNPIV-LSDHHAIUSA-N 1 0 366.490 3.553 50 0 FHAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000237619032 571277267 /nfs/dbraw/zinc/27/72/67/571277267.db2.gz HOOBDFSUJDGDDA-WMLDXEAASA-N 1 0 363.436 3.993 50 0 FHAARO CC[NH+](CC)Cc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 ZINC000252497097 571281053 /nfs/dbraw/zinc/28/10/53/571281053.db2.gz PYYMLGDOBWQMKL-OAQYLSRUSA-N 1 0 367.493 3.734 50 0 FHAARO COc1cc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)ccc1C ZINC000252499849 571281218 /nfs/dbraw/zinc/28/12/18/571281218.db2.gz SGIGCIAULNJFAG-UHFFFAOYSA-N 1 0 371.456 3.929 50 0 FHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(C4CC4)on3)CC2)cc1 ZINC000252536771 571282981 /nfs/dbraw/zinc/28/29/81/571282981.db2.gz JOCMPGSJVCLSEY-UHFFFAOYSA-N 1 0 353.466 3.502 50 0 FHAARO COc1ccc(C[C@H](C)[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000154723930 571289618 /nfs/dbraw/zinc/28/96/18/571289618.db2.gz DPEANPUTJRACCA-HOTGVXAUSA-N 1 0 373.493 3.873 50 0 FHAARO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1nnc(C(C)(C)C)s1 ZINC000253418302 571312767 /nfs/dbraw/zinc/31/27/67/571312767.db2.gz OCQSLBNGQMGWLO-UHFFFAOYSA-N 1 0 374.554 3.820 50 0 FHAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)[N@@H+]1CCCC(C)(C)C1 ZINC000002308763 571317482 /nfs/dbraw/zinc/31/74/82/571317482.db2.gz IPTLTKDOGSOEOV-CQSZACIVSA-N 1 0 371.481 3.712 50 0 FHAARO O=C(CCc1ccc(Cl)c(F)c1)N1CC(N2CCc3ccccc3C2)C1 ZINC000253473928 571318650 /nfs/dbraw/zinc/31/86/50/571318650.db2.gz ZXLRHGCZWZXODQ-UHFFFAOYSA-N 1 0 372.871 3.681 50 0 FHAARO CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NCC[NH+](C)C)c23)CO1 ZINC000002414055 571321636 /nfs/dbraw/zinc/32/16/36/571321636.db2.gz XWAXCWGQTKUVOV-KRWDZBQOSA-N 1 0 366.556 3.628 50 0 FHAARO CCOCc1c2ccccc2oc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000007941580 571322500 /nfs/dbraw/zinc/32/25/00/571322500.db2.gz UVQQTNQKWCLRJQ-UHFFFAOYSA-N 1 0 366.461 3.961 50 0 FHAARO CC(C)[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000078710470 571324188 /nfs/dbraw/zinc/32/41/88/571324188.db2.gz BELOGTHDXCETKJ-UZLBHIALSA-N 1 0 360.523 3.985 50 0 FHAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccccc1SC(F)F ZINC000078800970 571326300 /nfs/dbraw/zinc/32/63/00/571326300.db2.gz OOYDPWODJMFNDX-CYBMUJFWSA-N 1 0 373.469 3.576 50 0 FHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2c(SC)cnn2-c2ccccc2)C1 ZINC000079100930 571326936 /nfs/dbraw/zinc/32/69/36/571326936.db2.gz CQXSNACVCSVBIG-MRXNPFEDSA-N 1 0 373.526 3.542 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 ZINC000079112588 571327070 /nfs/dbraw/zinc/32/70/70/571327070.db2.gz KEPDKKDOQUGCNF-KRWDZBQOSA-N 1 0 359.857 3.953 50 0 FHAARO CCc1cccc2c(=O)c(C[NH+]3CCN(c4ccccc4)CC3)c(C)[nH]c12 ZINC000019793693 571327279 /nfs/dbraw/zinc/32/72/79/571327279.db2.gz GXZQHTSJULOMGC-UHFFFAOYSA-N 1 0 361.489 3.721 50 0 FHAARO CCOCc1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000467950087 571327866 /nfs/dbraw/zinc/32/78/66/571327866.db2.gz UMUVAKRVKRWAFK-FQEVSTJZSA-N 1 0 367.493 3.867 50 0 FHAARO COc1ccc(CC[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1OC ZINC000095419027 571329487 /nfs/dbraw/zinc/32/94/87/571329487.db2.gz KMWPTLUNPJHXAV-CQSZACIVSA-N 1 0 368.477 3.827 50 0 FHAARO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000095467775 571330533 /nfs/dbraw/zinc/33/05/33/571330533.db2.gz GZZQRYAMDNJSSD-UHFFFAOYSA-N 1 0 351.903 3.772 50 0 FHAARO Cc1ccc(OCc2nc(C[NH2+]C[C@H](C)Cn3ccnc3)cs2)cc1 ZINC000095959243 571332994 /nfs/dbraw/zinc/33/29/94/571332994.db2.gz PUDDXEKJDZBXFT-INIZCTEOSA-N 1 0 356.495 3.653 50 0 FHAARO CC(C)[N@H+](C)CC(=O)N(C)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000095958623 571333016 /nfs/dbraw/zinc/33/30/16/571333016.db2.gz YEPMBIJJDGNYKG-INIZCTEOSA-N 1 0 357.523 3.719 50 0 FHAARO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)CCc1ccncc1 ZINC000095982823 571333417 /nfs/dbraw/zinc/33/34/17/571333417.db2.gz JVRDHKZTBLBBCE-LBPRGKRZSA-N 1 0 352.265 3.890 50 0 FHAARO CCOc1ccccc1NC(=O)OC[C@]1(c2ccccc2)CC[N@H+](C)C1 ZINC000096027381 571334149 /nfs/dbraw/zinc/33/41/49/571334149.db2.gz HKVLIDGXJDGOIC-NRFANRHFSA-N 1 0 354.450 3.907 50 0 FHAARO O=C(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+]Cc2cccs2)cc1 ZINC000002646904 571340040 /nfs/dbraw/zinc/34/00/40/571340040.db2.gz ZTEXIVPYNGEHRC-GOSISDBHSA-N 1 0 367.470 3.509 50 0 FHAARO C[C@@H](c1ccncc1)N(CC[NH+](C)C)C(=S)Nc1cc(F)cc(F)c1 ZINC000003049898 571344206 /nfs/dbraw/zinc/34/42/06/571344206.db2.gz LMALNQRCTKSAKE-ZDUSSCGKSA-N 1 0 364.465 3.681 50 0 FHAARO COc1ccc([N+]2=C3CCCCN3[C@H](C)[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000003092956 571344660 /nfs/dbraw/zinc/34/46/60/571344660.db2.gz GAIBYRYSJVLECI-VFNWGFHPSA-N 1 0 371.888 3.997 50 0 FHAARO COc1ccc([N+]2=C3CCCCN3[C@@H](C)[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000003092953 571344668 /nfs/dbraw/zinc/34/46/68/571344668.db2.gz GAIBYRYSJVLECI-YCRPNKLZSA-N 1 0 371.888 3.997 50 0 FHAARO Cc1ccccc1C[N@@H+]1CCCN(CCC(=O)Nc2ccccc2)CC1 ZINC000030154172 571345039 /nfs/dbraw/zinc/34/50/39/571345039.db2.gz YUISMGVVDAUDJZ-UHFFFAOYSA-N 1 0 351.494 3.532 50 0 FHAARO O=C(COc1ccc2ccccc2c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000003324616 571347433 /nfs/dbraw/zinc/34/74/33/571347433.db2.gz LYQOBJVZSKNJTL-FQEVSTJZSA-N 1 0 364.445 3.765 50 0 FHAARO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc[nH]c3=S)cc2)CC1 ZINC000031201959 571351505 /nfs/dbraw/zinc/35/15/05/571351505.db2.gz VYIDOHARJZRLJZ-UHFFFAOYSA-N 1 0 355.507 3.532 50 0 FHAARO COc1cccc(NC(=S)N(CC[NH+]2CCCCC2)Cc2ccco2)c1 ZINC000003662357 571352111 /nfs/dbraw/zinc/35/21/11/571352111.db2.gz VZIWCZIQCMRSGN-UHFFFAOYSA-N 1 0 373.522 3.973 50 0 FHAARO C[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)C1 ZINC000003742083 571352298 /nfs/dbraw/zinc/35/22/98/571352298.db2.gz ZPVUAOURUGLWNO-HRAATJIYSA-N 1 0 366.461 3.870 50 0 FHAARO COc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)cc1 ZINC000004086881 571354973 /nfs/dbraw/zinc/35/49/73/571354973.db2.gz JYFVTDPCCHUYGQ-OAQYLSRUSA-N 1 0 371.888 3.999 50 0 FHAARO CCn1c[n+](C[C@@H](O)COc2c(C)cccc2C)c2cc(C)c(C)cc21 ZINC000004137711 571356022 /nfs/dbraw/zinc/35/60/22/571356022.db2.gz ZJEPMANFIYQAPU-LJQANCHMSA-N 1 0 353.486 3.622 50 0 FHAARO Cc1cccn2c(=O)cc(C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)nc12 ZINC000032510945 571357823 /nfs/dbraw/zinc/35/78/23/571357823.db2.gz OPFTZCUCPNMKOY-UHFFFAOYSA-N 1 0 361.367 3.654 50 0 FHAARO Cc1c2cc(F)ccc2oc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000007989595 571358220 /nfs/dbraw/zinc/35/82/20/571358220.db2.gz XSFQETONKAKIRH-UHFFFAOYSA-N 1 0 367.424 3.884 50 0 FHAARO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000008003550 571358355 /nfs/dbraw/zinc/35/83/55/571358355.db2.gz MKZKBMOXONEBFG-OAQYLSRUSA-N 1 0 369.465 3.579 50 0 FHAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 ZINC000008003246 571358394 /nfs/dbraw/zinc/35/83/94/571358394.db2.gz ZSAJUVGRMSTLOF-OAQYLSRUSA-N 1 0 365.477 3.504 50 0 FHAARO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCCCCC1 ZINC000008261666 571360105 /nfs/dbraw/zinc/36/01/05/571360105.db2.gz UXGXSAYODFRZLA-MRXNPFEDSA-N 1 0 357.523 3.878 50 0 FHAARO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000166106526 935475870 /nfs/dbraw/zinc/47/58/70/935475870.db2.gz JGCPIYYYFLKYQI-MRXNPFEDSA-N 1 0 374.525 3.926 50 0 FHAARO O=C(NC1CC[NH+](C2CCCCC2)CC1)C1(c2ccccc2)CCOCC1 ZINC000177270496 940066843 /nfs/dbraw/zinc/06/68/43/940066843.db2.gz HIQTYCOJOIDTGB-UHFFFAOYSA-N 1 0 370.537 3.648 50 0 FHAARO O=C(NCCc1csc2ccccc12)N1CCC[C@@H]1Cn1ccnc1 ZINC000177422721 940188685 /nfs/dbraw/zinc/18/86/85/940188685.db2.gz CHDTXVURZNGMHC-MRXNPFEDSA-N 1 0 354.479 3.515 50 0 FHAARO Cc1cc(=O)[nH]c(C[NH2+]C2CCN(c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000023506737 940489832 /nfs/dbraw/zinc/48/98/32/940489832.db2.gz RAAKYDCKZHGQIA-UHFFFAOYSA-N 1 0 374.488 3.504 50 0 FHAARO O=C(C1CC1)N1CCC([N@@H+]2CC3(CCCCC3)[C@@H]2c2ccncc2)CC1 ZINC000581801723 940609620 /nfs/dbraw/zinc/60/96/20/940609620.db2.gz BUYBNFPBCREMTG-FQEVSTJZSA-N 1 0 353.510 3.790 50 0 FHAARO COCCn1c(C)c[nH+]c1CC1CCN(C(=O)CCC2CCCC2)CC1 ZINC000257187349 942608116 /nfs/dbraw/zinc/60/81/16/942608116.db2.gz ASTHTGQMNCKJJA-UHFFFAOYSA-N 1 0 361.530 3.589 50 0 FHAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000581806844 942855853 /nfs/dbraw/zinc/85/58/53/942855853.db2.gz ASSGCVAZPNFIHO-KRWDZBQOSA-N 1 0 355.457 3.689 50 0 FHAARO CC[NH+](CC)CCCOC(=O)C(OC)(c1ccccc1)c1ccccc1 ZINC000002035927 942958489 /nfs/dbraw/zinc/95/84/89/942958489.db2.gz GVILETMRNSBYQL-UHFFFAOYSA-N 1 0 355.478 3.852 50 0 FHAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1CCc1noc(-c2ccccc2)n1 ZINC000675019141 943626957 /nfs/dbraw/zinc/62/69/57/943626957.db2.gz BGFUKTOOHJERRL-GOSISDBHSA-N 1 0 365.481 3.684 50 0 FHAARO O=C(CCC1CCCCC1)N(CC[NH+]1CCCCC1)C1CCOCC1 ZINC000675021198 943633662 /nfs/dbraw/zinc/63/36/62/943633662.db2.gz YVCDATYVWXHLRY-UHFFFAOYSA-N 1 0 350.547 3.840 50 0 FHAARO O=C(c1ccccc1)N1CCC(C[NH+]2CCC3(CCCCO3)CC2)CC1 ZINC000675018746 943634022 /nfs/dbraw/zinc/63/40/22/943634022.db2.gz BTLSGBRULBVBOJ-UHFFFAOYSA-N 1 0 356.510 3.574 50 0 FHAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(C)c(O)c(C)c3)C2)nc1 ZINC000331837615 944788358 /nfs/dbraw/zinc/78/83/58/944788358.db2.gz TUWMGZAUPSLJPZ-GOSISDBHSA-N 1 0 353.466 3.563 50 0 FHAARO COc1ccc(F)cc1C[N@@H+]1CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12 ZINC000426505840 945011791 /nfs/dbraw/zinc/01/17/91/945011791.db2.gz PCTZNPCKTZFQKS-SESVDKBCSA-N 1 0 363.473 3.773 50 0 FHAARO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299760216 529975159 /nfs/dbraw/zinc/97/51/59/529975159.db2.gz SWAMOJJIOCCKOY-QGZVFWFLSA-N 1 0 360.461 3.562 50 0 FHAARO CN(C)C(=O)Oc1ccc(-c2c[n+]3cc(C(F)(F)F)ccc3n2C)cc1 ZINC000000633459 219307850 /nfs/dbraw/zinc/30/78/50/219307850.db2.gz RBJJEEYPXJAMMI-UHFFFAOYSA-N 1 0 364.347 3.510 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)cc1OC)[NH2+]CC2 ZINC000000719041 219317264 /nfs/dbraw/zinc/31/72/64/219317264.db2.gz IWFAKKQEWNYNRB-NRFANRHFSA-N 1 0 357.450 3.736 50 0 biogenic,in-vitro FHAARO CCC[C@@H]1CO[C@](C[n+]2cn(CC)cn2)(c2ccc(Cl)cc2Cl)O1 ZINC000000896414 219337432 /nfs/dbraw/zinc/33/74/32/219337432.db2.gz ZMIUUEUCMUEWIG-PBHICJAKSA-N 1 0 371.288 3.566 50 0 FHAARO CC[NH+](CC)Cc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccccc2)cc1 ZINC000252497096 222975085 /nfs/dbraw/zinc/97/50/85/222975085.db2.gz PYYMLGDOBWQMKL-NRFANRHFSA-N 1 0 367.493 3.734 50 0 FHAARO O=C(NCCc1ccccc1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000004725460 219600410 /nfs/dbraw/zinc/60/04/10/219600410.db2.gz JFGZBSRCYFTVOL-UHFFFAOYSA-N 1 0 350.506 3.690 50 0 FHAARO C[C@H](c1ccc(C(=O)N(C)Cc2cnc3ccccn23)o1)[NH+]1CCCCC1 ZINC000299755442 223081338 /nfs/dbraw/zinc/08/13/38/223081338.db2.gz CYXLECVWJIYQCG-MRXNPFEDSA-N 1 0 366.465 3.746 50 0 FHAARO CCc1oc(C(=O)N[C@H](C)c2cn3ccsc3n2)cc1C[NH+](CC)CC ZINC000299758600 223082819 /nfs/dbraw/zinc/08/28/19/223082819.db2.gz JTRLTRBXDKYAFW-CYBMUJFWSA-N 1 0 374.510 3.884 50 0 FHAARO Cc1nc(N2CCC[C@@H]([NH2+]Cc3ccco3)CC2)nc2ccc(F)cc12 ZINC000299770498 223089659 /nfs/dbraw/zinc/08/96/59/223089659.db2.gz VZKHSAZXHLEWTD-MRXNPFEDSA-N 1 0 354.429 3.819 50 0 FHAARO COCCC[NH2+][C@@H]1CCOc2ccc(-c3cccc(NC(C)=O)c3)cc21 ZINC000299803831 223105506 /nfs/dbraw/zinc/10/55/06/223105506.db2.gz GAYPDEWZZRVQBN-HXUWFJFHSA-N 1 0 354.450 3.762 50 0 FHAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)Cc2c(F)cccc2Cl)C1 ZINC000299802382 223106128 /nfs/dbraw/zinc/10/61/28/223106128.db2.gz ZAUMSROPZUDYEN-INIZCTEOSA-N 1 0 374.887 3.968 50 0 FHAARO O=C(NCc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000009585802 219883103 /nfs/dbraw/zinc/88/31/03/219883103.db2.gz DZAKYTZNPVMZPN-UHFFFAOYSA-N 1 0 357.885 3.935 50 0 FHAARO COCCOC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000012475694 220000086 /nfs/dbraw/zinc/00/00/86/220000086.db2.gz XXLIECAGYDSUMN-UHFFFAOYSA-N 1 0 364.873 3.931 50 0 FHAARO CCOc1ccccc1-c1nc(C[NH+]2CCC(OCCOC)CC2)c(C)o1 ZINC000012588212 220011216 /nfs/dbraw/zinc/01/12/16/220011216.db2.gz UBWRNNKFXYAORZ-UHFFFAOYSA-N 1 0 374.481 3.676 50 0 FHAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000012612254 220013892 /nfs/dbraw/zinc/01/38/92/220013892.db2.gz XEOLKQGFQHMKMD-FQEVSTJZSA-N 1 0 363.461 3.505 50 0 FHAARO Cc1ncc(C[N@@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)s1 ZINC000012714003 220020793 /nfs/dbraw/zinc/02/07/93/220020793.db2.gz FFNLPYFQEALXKB-SFHVURJKSA-N 1 0 350.915 3.922 50 0 FHAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCCO2)c1 ZINC000012714389 220020870 /nfs/dbraw/zinc/02/08/70/220020870.db2.gz QUZFQZKUIYFNJP-NRFANRHFSA-N 1 0 363.461 3.817 50 0 FHAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(C)cc2)cc1 ZINC000012787976 220030569 /nfs/dbraw/zinc/03/05/69/220030569.db2.gz ZYOXEKOXIBZAJW-OAQYLSRUSA-N 1 0 352.478 3.799 50 0 FHAARO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012871123 220037931 /nfs/dbraw/zinc/03/79/31/220037931.db2.gz OMRSGQRINMGSON-QZTJIDSGSA-N 1 0 365.477 3.673 50 0 FHAARO CC[C@@H](C)c1ccc(NC(=O)N2CCN(Cc3ccncc3)CC2)cc1 ZINC000013324980 220063582 /nfs/dbraw/zinc/06/35/82/220063582.db2.gz MPDGOMJQFCPKQZ-QGZVFWFLSA-N 1 0 352.482 3.945 50 0 FHAARO O=C(NCC[NH+]1CCCCC1)Nc1ccc(Br)cc1Cl ZINC000013324147 220063757 /nfs/dbraw/zinc/06/37/57/220063757.db2.gz DSBLBEYDDUMBCC-UHFFFAOYSA-N 1 0 360.683 3.710 50 0 FHAARO CCOc1cc(C[NH2+]C(C)(C)C)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717706 220089596 /nfs/dbraw/zinc/08/95/96/220089596.db2.gz RXIFCLWCLQLAHW-UHFFFAOYSA-N 1 0 367.453 3.741 50 0 FHAARO O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)Nc1ccccc1F ZINC000013759369 220093847 /nfs/dbraw/zinc/09/38/47/220093847.db2.gz YEEAAEBHZNAYLU-UHFFFAOYSA-O 1 0 370.835 3.820 50 0 FHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C)c(C)c1 ZINC000013987320 220099836 /nfs/dbraw/zinc/09/98/36/220099836.db2.gz BTENQHICBYPQQY-PZJWPPBQSA-N 1 0 370.518 3.608 50 0 FHAARO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(O)c3ncccc23)c(C)c1 ZINC000014111868 220106168 /nfs/dbraw/zinc/10/61/68/220106168.db2.gz VUEHMNVTSKQVCX-UHFFFAOYSA-N 1 0 363.461 3.936 50 0 FHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000014184446 220114615 /nfs/dbraw/zinc/11/46/15/220114615.db2.gz ABKBRPZJTXUXCV-UHFFFAOYSA-N 1 0 355.482 3.606 50 0 FHAARO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000014185020 220114764 /nfs/dbraw/zinc/11/47/64/220114764.db2.gz LIRSYJYULPUVOB-OAHLLOKOSA-N 1 0 369.465 3.560 50 0 FHAARO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000014185774 220114875 /nfs/dbraw/zinc/11/48/75/220114875.db2.gz HMUGHDYTAKDWQU-OAHLLOKOSA-N 1 0 354.450 3.715 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1 ZINC000014185756 220114974 /nfs/dbraw/zinc/11/49/74/220114974.db2.gz WCCJVCXXRKNSIM-GOSISDBHSA-N 1 0 355.482 3.647 50 0 FHAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@@H](C)c2ccccc2)c1 ZINC000014880472 220133721 /nfs/dbraw/zinc/13/37/21/220133721.db2.gz NQKXXJGVFTULJY-NQIIRXRSSA-N 1 0 366.505 3.970 50 0 FHAARO COc1ccc2c(c1)O[C@H](C)C[N@@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)C2 ZINC000014961595 220137860 /nfs/dbraw/zinc/13/78/60/220137860.db2.gz DDKDLPNHTSZLTK-JKSUJKDBSA-N 1 0 369.461 3.886 50 0 FHAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CC[N@H+](CC1CCCC1)C2 ZINC000014980765 220139327 /nfs/dbraw/zinc/13/93/27/220139327.db2.gz KJGQNVJNBHDEIC-NRFANRHFSA-N 1 0 362.464 3.970 50 0 FHAARO CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000015669126 220157716 /nfs/dbraw/zinc/15/77/16/220157716.db2.gz HEMAZOFEZCIOPL-UHFFFAOYSA-N 1 0 354.479 3.966 50 0 FHAARO CCC[NH+](CCC)CCNC(=O)c1noc2c1CSc1ccccc1-2 ZINC000015673921 220159339 /nfs/dbraw/zinc/15/93/39/220159339.db2.gz XTXWJDKSSCVBGK-UHFFFAOYSA-N 1 0 359.495 3.799 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c(-c2cccs2)cc2ccccc21 ZINC000015860939 220168794 /nfs/dbraw/zinc/16/87/94/220168794.db2.gz VCCMQXCASKNSBG-QGZVFWFLSA-N 1 0 367.518 3.970 50 0 FHAARO COCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000015862300 220169565 /nfs/dbraw/zinc/16/95/65/220169565.db2.gz MILIZBZNXDXEQR-UHFFFAOYSA-N 1 0 374.843 3.969 50 0 FHAARO CC(C)[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000016338659 220182659 /nfs/dbraw/zinc/18/26/59/220182659.db2.gz KQZOXWFPCZBAEO-KKSFZXQISA-N 1 0 360.498 3.536 50 0 FHAARO CCC[NH+]1CCC(NC(=O)c2c(C)onc2-c2ccccc2Cl)CC1 ZINC000016604583 220187736 /nfs/dbraw/zinc/18/77/36/220187736.db2.gz IDEIDDCXKPCZMD-UHFFFAOYSA-N 1 0 361.873 3.908 50 0 FHAARO C[N@H+](CC(=O)NCCc1c[nH]c2ccccc12)[C@@H]1CCCc2ccccc21 ZINC000016695829 220190517 /nfs/dbraw/zinc/19/05/17/220190517.db2.gz FBAAQKPFDHBSSS-JOCHJYFZSA-N 1 0 361.489 3.836 50 0 FHAARO COc1ccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1OC ZINC000019360231 220253931 /nfs/dbraw/zinc/25/39/31/220253931.db2.gz LOOUNTMPJOAVBS-UHFFFAOYSA-N 1 0 365.477 3.503 50 0 FHAARO O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCc2c([nH]c3ccccc32)C1 ZINC000019745795 220290968 /nfs/dbraw/zinc/29/09/68/220290968.db2.gz YRPQNEKLXBLFBN-MRXNPFEDSA-N 1 0 351.475 3.852 50 0 FHAARO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Br)c1OC ZINC000020228213 220320183 /nfs/dbraw/zinc/32/01/83/220320183.db2.gz WWOLEXTUEVHOCV-UHFFFAOYSA-N 1 0 368.246 3.938 50 0 FHAARO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575550 220334939 /nfs/dbraw/zinc/33/49/39/220334939.db2.gz HBTOBYMFZRYRLC-GJZGRUSLSA-N 1 0 350.466 3.709 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3ccc4cccnc4c3[nH]2)C1 ZINC000020575512 220335199 /nfs/dbraw/zinc/33/51/99/220335199.db2.gz NPTMFDYLKPRMKV-OAHLLOKOSA-N 1 0 350.466 3.568 50 0 FHAARO Clc1ccccc1COc1cccc(C[NH2+]CCCN2CCOCC2)c1 ZINC000020495154 220329249 /nfs/dbraw/zinc/32/92/49/220329249.db2.gz WUVRBDOYVAJXLA-UHFFFAOYSA-N 1 0 374.912 3.731 50 0 FHAARO Cc1cccc(C)c1OCC(=O)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021170473 220354482 /nfs/dbraw/zinc/35/44/82/220354482.db2.gz YEXZYILDCGTLDU-FQEVSTJZSA-N 1 0 358.526 3.939 50 0 FHAARO O=C(COc1ccc(Cl)cc1)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000021170402 220355189 /nfs/dbraw/zinc/35/51/89/220355189.db2.gz UOVKCZGELLDUKP-GOSISDBHSA-N 1 0 364.917 3.976 50 0 FHAARO COc1ccc(CC[NH2+]Cc2ccc(Br)s2)cc1OC ZINC000021029394 220349519 /nfs/dbraw/zinc/34/95/19/220349519.db2.gz XFMYFSMZJJTYGS-UHFFFAOYSA-N 1 0 356.285 3.860 50 0 FHAARO C[C@@H]1C[C@@H](C)C[NH+](CC2CCN(C(=O)NCCc3ccccc3)CC2)C1 ZINC000021718280 220364607 /nfs/dbraw/zinc/36/46/07/220364607.db2.gz DBTMQDSROSFVEE-RTBURBONSA-N 1 0 357.542 3.629 50 0 FHAARO Cc1ccc(-c2noc3ncnc(NCC[NH+]4CCC(C)CC4)c32)cc1 ZINC000021715105 220365063 /nfs/dbraw/zinc/36/50/63/220365063.db2.gz AWIUMIMJQRWKMY-UHFFFAOYSA-N 1 0 351.454 3.737 50 0 FHAARO CC1CC[NH+](CC2CCN(C(=O)Nc3cc(F)ccc3F)CC2)CC1 ZINC000021718097 220365297 /nfs/dbraw/zinc/36/52/97/220365297.db2.gz LGYAKDFCIIJFMM-UHFFFAOYSA-N 1 0 351.441 3.941 50 0 FHAARO Cc1ccccc1OCC[N@@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000021320884 220356051 /nfs/dbraw/zinc/35/60/51/220356051.db2.gz NJTBSHMRHYBGDZ-UHFFFAOYSA-N 1 0 360.885 3.666 50 0 FHAARO CCOc1cc(C[NH2+]CCN(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000022075367 220376689 /nfs/dbraw/zinc/37/66/89/220376689.db2.gz QVSYBVCGVWNDNE-UHFFFAOYSA-N 1 0 362.901 3.969 50 0 FHAARO C[C@H](C[NH+]1CCC(C(=O)NCCc2ccccc2)CC1)c1ccccc1 ZINC000022241710 220380274 /nfs/dbraw/zinc/38/02/74/220380274.db2.gz REPPYUYWCDJQRN-LJQANCHMSA-N 1 0 350.506 3.861 50 0 FHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)noc1-c1ccccc1OC ZINC000022351290 220383605 /nfs/dbraw/zinc/38/36/05/220383605.db2.gz UAENAJKCMOXFBJ-HNNXBMFYSA-N 1 0 373.497 3.899 50 0 FHAARO CC[NH+](CC)CCN[C@@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 ZINC000022037507 220375846 /nfs/dbraw/zinc/37/58/46/220375846.db2.gz YTGKMIKBHOVMKM-OAQYLSRUSA-N 1 0 367.493 3.500 50 0 FHAARO CCn1c(C)cc(O)c([C@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000022697158 220395880 /nfs/dbraw/zinc/39/58/80/220395880.db2.gz VDKLRGMEQDPZPU-FQEVSTJZSA-N 1 0 358.457 3.843 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)CCc1nc2ccccc2s1)c1cccs1 ZINC000022759668 220396855 /nfs/dbraw/zinc/39/68/55/220396855.db2.gz YPEYHXOANASTSR-AWEZNQCLSA-N 1 0 359.520 3.710 50 0 FHAARO Cc1cc(-n2c(C)cc(C[NH2+][C@H]3CCN(Cc4ccccc4)C3)c2C)no1 ZINC000022804370 220398803 /nfs/dbraw/zinc/39/88/03/220398803.db2.gz BKZJZTWPEDPPRN-NRFANRHFSA-N 1 0 364.493 3.755 50 0 FHAARO CC[NH+](CC)CCOc1ccc(CNC(=O)CCc2ccccc2F)cc1 ZINC000032926659 220699800 /nfs/dbraw/zinc/69/98/00/220699800.db2.gz GPJYZMYOIZIDRD-UHFFFAOYSA-N 1 0 372.484 3.795 50 0 FHAARO COc1cc(NC(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc(OC)c1 ZINC000048303167 221006633 /nfs/dbraw/zinc/00/66/33/221006633.db2.gz FLQXHAUZBHIHEQ-OAQYLSRUSA-N 1 0 366.461 3.794 50 0 FHAARO Cc1ncsc1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048310260 221006976 /nfs/dbraw/zinc/00/69/76/221006976.db2.gz LBVNQKNSTYXOGM-GASCZTMLSA-N 1 0 357.523 3.859 50 0 FHAARO C[N@H+](CCC(=O)Nc1ccccc1)Cc1cc(Br)cs1 ZINC000048575411 221014524 /nfs/dbraw/zinc/01/45/24/221014524.db2.gz WLZIVBUBCCEAEV-UHFFFAOYSA-N 1 0 353.285 3.971 50 0 FHAARO O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CC[NH2+]CC3)cn21 ZINC000048998306 221015893 /nfs/dbraw/zinc/01/58/93/221015893.db2.gz DGSMEFWSLXFLQA-UHFFFAOYSA-N 1 0 354.841 3.707 50 0 in-vitro FHAARO Cc1nnc(SCCC[NH2+]Cc2cnc(-c3cccc(C)c3)nc2)s1 ZINC000055054585 221057672 /nfs/dbraw/zinc/05/76/72/221057672.db2.gz WVOOPZYDKCKTFY-UHFFFAOYSA-N 1 0 371.535 3.884 50 0 FHAARO CCc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cn1 ZINC000055107983 221058656 /nfs/dbraw/zinc/05/86/56/221058656.db2.gz XSGXKXWQUNQVHE-QHCPKHFHSA-N 1 0 364.537 3.570 50 0 FHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)o2)C1 ZINC000054226379 221051130 /nfs/dbraw/zinc/05/11/30/221051130.db2.gz YSMCVUZUDHAAQP-OCCSQVGLSA-N 1 0 363.255 3.607 50 0 FHAARO C[N@H+](CCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000054761770 221055781 /nfs/dbraw/zinc/05/57/81/221055781.db2.gz MWSPFSWORZCJRX-JKSUJKDBSA-N 1 0 357.420 3.539 50 0 FHAARO CC[C@@H](CO)[N@H+](Cc1ccco1)Cc1ccc(Oc2ncccn2)cc1 ZINC000055036145 221057234 /nfs/dbraw/zinc/05/72/34/221057234.db2.gz IZKGLTSNZWBMIA-KRWDZBQOSA-N 1 0 353.422 3.635 50 0 FHAARO CC[C@H](CO)[N@H+](Cc1ccco1)Cc1ccc(Oc2ncccn2)cc1 ZINC000055036147 221057491 /nfs/dbraw/zinc/05/74/91/221057491.db2.gz IZKGLTSNZWBMIA-QGZVFWFLSA-N 1 0 353.422 3.635 50 0 FHAARO CSc1ccc(C[N@H+](CCO)Cc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000055358510 221066872 /nfs/dbraw/zinc/06/68/72/221066872.db2.gz XQGCOSYBPVMGFX-UHFFFAOYSA-N 1 0 369.486 3.818 50 0 FHAARO CCCO[C@H]1CCCN(C(=O)c2cc(C[NH+](CC)CC)c(CC)o2)C1 ZINC000055414236 221069428 /nfs/dbraw/zinc/06/94/28/221069428.db2.gz BDKHNPUJOZTHLW-KRWDZBQOSA-N 1 0 350.503 3.715 50 0 FHAARO COc1ccc(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)cc1O ZINC000057991201 221096965 /nfs/dbraw/zinc/09/69/65/221096965.db2.gz SMMAKSWHTFKMEU-UHFFFAOYSA-N 1 0 360.885 3.808 50 0 FHAARO CC[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000058014218 221097540 /nfs/dbraw/zinc/09/75/40/221097540.db2.gz XNWJYNCWVLCDBN-XMSQKQJNSA-N 1 0 366.505 3.545 50 0 FHAARO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000060877089 221132754 /nfs/dbraw/zinc/13/27/54/221132754.db2.gz ZUXCQUVTICOGMY-ICSRJNTNSA-N 1 0 357.542 3.530 50 0 FHAARO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000061600592 221133235 /nfs/dbraw/zinc/13/32/35/221133235.db2.gz NVXGPWPUHQINDK-ZBFHGGJFSA-N 1 0 372.513 3.585 50 0 FHAARO C[C@@H]1CCC[C@](CNC(=O)Nc2ccccc2-n2cccn2)([NH+](C)C)C1 ZINC000058368947 221115465 /nfs/dbraw/zinc/11/54/65/221115465.db2.gz BOJRSZWIBSVOIL-UZLBHIALSA-N 1 0 355.486 3.504 50 0 FHAARO CCOC(=O)Nc1cccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000062580425 221140731 /nfs/dbraw/zinc/14/07/31/221140731.db2.gz AWIOTDLTNQZXCJ-UHFFFAOYSA-N 1 0 373.497 3.639 50 0 FHAARO CSc1ccc(CNC(=O)C2=CC[N@H+](Cc3cccc(F)c3)CC2)cc1 ZINC000064818113 221152319 /nfs/dbraw/zinc/15/23/19/221152319.db2.gz XBBSOYJKZHDSBG-UHFFFAOYSA-N 1 0 370.493 3.996 50 0 FHAARO CSc1ccc(CNC(=O)C2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000064817963 221152482 /nfs/dbraw/zinc/15/24/82/221152482.db2.gz IJWJJRMEGGTBSQ-UHFFFAOYSA-N 1 0 352.503 3.857 50 0 FHAARO Cc1ccc2[nH]c(=O)c(CCC(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2c1 ZINC000065245482 221185858 /nfs/dbraw/zinc/18/58/58/221185858.db2.gz QBYJIYKUUUUJGM-QGZVFWFLSA-N 1 0 369.509 3.562 50 0 FHAARO CCOc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000065364731 221203517 /nfs/dbraw/zinc/20/35/17/221203517.db2.gz VTRIRFYJWCJUJV-UHFFFAOYSA-N 1 0 354.450 3.811 50 0 FHAARO CC(C)[NH+]1CCC(CC(=O)N2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC000065375580 221206221 /nfs/dbraw/zinc/20/62/21/221206221.db2.gz YQADEHQERRFPLI-UHFFFAOYSA-N 1 0 356.510 3.618 50 0 FHAARO Cc1ccc(NC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)cc1F ZINC000065255110 221189330 /nfs/dbraw/zinc/18/93/30/221189330.db2.gz NAMAKQCRSGWEEM-UHFFFAOYSA-N 1 0 366.440 3.832 50 0 FHAARO CCCCc1c(-c2ccccc2)ncn1C[C@H](CC)[NH+]1CCN(C)CC1 ZINC000065409875 221215860 /nfs/dbraw/zinc/21/58/60/221215860.db2.gz MUWAZOHUOXUYTK-FQEVSTJZSA-N 1 0 354.542 3.919 50 0 FHAARO Cc1ccc(-c2nc(NCC[C@@H]3CCC[N@H+]3C)ncc2-c2cncnc2)cc1 ZINC000065409693 221216020 /nfs/dbraw/zinc/21/60/20/221216020.db2.gz VXGRMTKVINUBGN-IBGZPJMESA-N 1 0 374.492 3.805 50 0 FHAARO Cn1nc(C2CC2)c2c1NC(=O)C[C@H]2c1ccc(C[NH+]2CCCCC2)s1 ZINC000065418649 221216281 /nfs/dbraw/zinc/21/62/81/221216281.db2.gz ZWUAEMRYSVHJGK-HNNXBMFYSA-N 1 0 370.522 3.819 50 0 FHAARO Cc1ccccc1NC(=O)CC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000065432029 221219278 /nfs/dbraw/zinc/21/92/78/221219278.db2.gz NUVZZDSLYBYPEF-UHFFFAOYSA-N 1 0 351.494 3.578 50 0 FHAARO c1cc([C@@H]2CCCCO2)oc1CN1CCC[N@H+](Cc2ccncc2)CC1 ZINC000065436212 221220033 /nfs/dbraw/zinc/22/00/33/221220033.db2.gz RSUIKKWBJGHYCX-FQEVSTJZSA-N 1 0 355.482 3.624 50 0 FHAARO CC[C@H](NC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1)c1ccccn1 ZINC000065457334 221222256 /nfs/dbraw/zinc/22/22/56/221222256.db2.gz VYUJFCNUHJLNIO-KRWDZBQOSA-N 1 0 373.884 3.504 50 0 FHAARO Cc1ncc2c(c1-c1noc([C@@H](C)Oc3cccc(Cl)c3)n1)CC[NH2+]C2 ZINC000067714160 221274770 /nfs/dbraw/zinc/27/47/70/221274770.db2.gz AUQWKOISIHFNSP-GFCCVEGCSA-N 1 0 370.840 3.879 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000067805271 221288470 /nfs/dbraw/zinc/28/84/70/221288470.db2.gz MDTCXYZLDBOZAD-LJQANCHMSA-N 1 0 374.868 3.743 50 0 FHAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)CCCCC[NH3+])CCO3)s1 ZINC000067804358 221287525 /nfs/dbraw/zinc/28/75/25/221287525.db2.gz ZKDGGIOWEQJNJC-UHFFFAOYSA-N 1 0 374.506 3.669 50 0 FHAARO CNc1nc(N2CCc3onc(-c4ccc(Cl)cc4)c3C2)cc(C)[nH+]1 ZINC000067855910 221296423 /nfs/dbraw/zinc/29/64/23/221296423.db2.gz LIKXZLUXNZNUTA-UHFFFAOYSA-N 1 0 355.829 3.698 50 0 FHAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000067921080 221305521 /nfs/dbraw/zinc/30/55/21/221305521.db2.gz MPVGYJOTHLLMMC-AWEZNQCLSA-N 1 0 361.873 3.781 50 0 FHAARO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)COCc1cccs1 ZINC000068047598 221313128 /nfs/dbraw/zinc/31/31/28/221313128.db2.gz IDVJPODBTNEHMR-OAHLLOKOSA-N 1 0 370.312 3.520 50 0 FHAARO COc1ccc2c(c1)C[C@H]([NH2+]CCc1csc(-c3cccnc3)n1)CC2 ZINC000067983548 221313265 /nfs/dbraw/zinc/31/32/65/221313265.db2.gz MTNCIXULTVQDHM-GOSISDBHSA-N 1 0 365.502 3.903 50 0 FHAARO C[NH+](C)CCOc1ccccc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071419053 221347153 /nfs/dbraw/zinc/34/71/53/221347153.db2.gz NNQKWNJRSXZAQI-OAQYLSRUSA-N 1 0 374.912 3.854 50 0 FHAARO CCc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccccc3)[C@@H](CC)C2)nc1 ZINC000071439489 221348927 /nfs/dbraw/zinc/34/89/27/221348927.db2.gz NPVDEHAZMOSGGR-NRFANRHFSA-N 1 0 351.494 3.657 50 0 FHAARO Cc1ncnc(N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1C ZINC000071746158 221357952 /nfs/dbraw/zinc/35/79/52/221357952.db2.gz PZXYSXUCNOMUMA-FQEVSTJZSA-N 1 0 356.489 3.969 50 0 FHAARO C[C@H]1CCC[N@@H+]1Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000071745946 221358093 /nfs/dbraw/zinc/35/80/93/221358093.db2.gz RNOYQCLNFYGCEG-KRWDZBQOSA-N 1 0 362.477 3.591 50 0 FHAARO c1cnn(-c2cccc([C@@H]3c4[nH]cnc4CC[N@H+]3CCc3ccccc3)c2)c1 ZINC000071738868 221358289 /nfs/dbraw/zinc/35/82/89/221358289.db2.gz UOJWKUQQRSXTFJ-HSZRJFAPSA-N 1 0 369.472 3.786 50 0 FHAARO Cc1ccncc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071762362 221369256 /nfs/dbraw/zinc/36/92/56/221369256.db2.gz YIKFDEMZLXNATL-NRFANRHFSA-N 1 0 369.484 3.902 50 0 FHAARO COCc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)cn1 ZINC000071767917 221373126 /nfs/dbraw/zinc/37/31/26/221373126.db2.gz YQRBECVXKZANDP-HNNXBMFYSA-N 1 0 361.436 3.746 50 0 FHAARO CC(C)([NH3+])C(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000072152755 221430988 /nfs/dbraw/zinc/43/09/88/221430988.db2.gz GPUROXPQGPFFAA-KRWDZBQOSA-N 1 0 368.452 3.651 50 0 FHAARO Cc1cc(N2CCN(C(=O)c3cccc(-c4ccco4)c3)CC2)cc(C)[nH+]1 ZINC000077323631 132181249 /nfs/dbraw/zinc/18/12/49/132181249.db2.gz INPDQTFYQFHITN-UHFFFAOYSA-N 1 0 361.445 3.921 50 0 FHAARO CCn1ccc2cc(C(=O)N3CCN(c4cc(C)[nH+]c(C)c4)CC3)ccc21 ZINC000082121037 132196055 /nfs/dbraw/zinc/19/60/55/132196055.db2.gz OQLIJOYYPZEKJG-UHFFFAOYSA-N 1 0 362.477 3.635 50 0 FHAARO CC(C)C[C@H]1CCCCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000089821105 132200486 /nfs/dbraw/zinc/20/04/86/132200486.db2.gz WFQOBVODVXCWOK-GOSISDBHSA-N 1 0 358.530 3.871 50 0 FHAARO FC(F)(F)c1ccc(N2CCC([N@@H+]3CCOC4(CCCC4)C3)CC2)nc1 ZINC000095361751 132207746 /nfs/dbraw/zinc/20/77/46/132207746.db2.gz AJBPPAMTHOVYRB-UHFFFAOYSA-N 1 0 369.431 3.714 50 0 FHAARO Cc1cc(C)[nH+]c(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)c1 ZINC000095508316 132212978 /nfs/dbraw/zinc/21/29/78/132212978.db2.gz QIEUYDGCCXLRSW-MRXNPFEDSA-N 1 0 353.495 3.784 50 0 FHAARO CCc1cc(N2CCC([NH2+]CCc3c[nH]c4ccccc34)CC2)nc(C)n1 ZINC000095524144 132214104 /nfs/dbraw/zinc/21/41/04/132214104.db2.gz DKNUEAOJQVPOKF-UHFFFAOYSA-N 1 0 363.509 3.630 50 0 FHAARO [NH3+][C@H](Cc1c[nH]c2ccccc12)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000096319022 132224955 /nfs/dbraw/zinc/22/49/55/132224955.db2.gz XAFYLTJHCCSKRP-GOSISDBHSA-N 1 0 368.912 3.513 50 0 FHAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000239358415 132376487 /nfs/dbraw/zinc/37/64/87/132376487.db2.gz NGGKDTCGSHXTLI-CWKRKGSWSA-N 1 0 374.569 3.647 50 0 FHAARO CC[C@@](Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)[NH+](C)C ZINC000000820474 132378769 /nfs/dbraw/zinc/37/87/69/132378769.db2.gz UHFFVFAKEGKNAQ-HSZRJFAPSA-N 1 0 366.505 3.659 50 0 FHAARO Cc1ccc(C)c(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000000895155 132379072 /nfs/dbraw/zinc/37/90/72/132379072.db2.gz SLNVDRKJARZLII-UHFFFAOYSA-N 1 0 355.457 3.593 50 0 FHAARO CCCn1ccnc1C[N@@H+]1CCCC12CCN(c1cccc(C)n1)CC2 ZINC000072428393 136146700 /nfs/dbraw/zinc/14/67/00/136146700.db2.gz XJIHLRYNSGLMJW-UHFFFAOYSA-N 1 0 353.514 3.632 50 0 FHAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000095375679 221877960 /nfs/dbraw/zinc/87/79/60/221877960.db2.gz UAHCMVCQTYLRRZ-KRWDZBQOSA-N 1 0 374.916 3.508 50 0 FHAARO COc1ccc(Br)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000095394195 221898529 /nfs/dbraw/zinc/89/85/29/221898529.db2.gz IHCICUHXTRFEFK-MRXNPFEDSA-N 1 0 353.304 3.518 50 0 FHAARO Cc1[nH]ccc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000095505011 221931137 /nfs/dbraw/zinc/93/11/37/221931137.db2.gz ACTCQIOPRBNMIN-LJQANCHMSA-N 1 0 353.510 3.658 50 0 FHAARO Cc1cccc(Cn2nc(CC3CC[NH+](C)CC3)nc2[C@H]2CCCCO2)c1 ZINC000096139559 222044240 /nfs/dbraw/zinc/04/42/40/222044240.db2.gz OZCPPDVFFWULPS-HXUWFJFHSA-N 1 0 368.525 3.761 50 0 FHAARO Cc1n[nH]c(C)c1CCC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000096163035 222063490 /nfs/dbraw/zinc/06/34/90/222063490.db2.gz DTGWZNIPYQXRJW-LJQANCHMSA-N 1 0 374.916 3.566 50 0 FHAARO C[NH+](C)C[C@H](NC(=O)/C=C\c1ccccc1Br)c1ccccc1 ZINC000096920598 222140002 /nfs/dbraw/zinc/14/00/02/222140002.db2.gz KHESUSIHAZUBKU-SQVRQVGWSA-N 1 0 373.294 3.881 50 0 FHAARO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000097032697 222153567 /nfs/dbraw/zinc/15/35/67/222153567.db2.gz YKHCHROYKLOODG-ZWKOTPCHSA-N 1 0 352.482 3.772 50 0 FHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000097107638 222159738 /nfs/dbraw/zinc/15/97/38/222159738.db2.gz RITDZBXDLUODDU-YYRKOSNBSA-N 1 0 365.315 3.701 50 0 FHAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCn3cccn3)CC2)cc1 ZINC000097117801 222161902 /nfs/dbraw/zinc/16/19/02/222161902.db2.gz QYFYENKGOQNBAW-UHFFFAOYSA-N 1 0 365.481 3.584 50 0 FHAARO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000097162448 222166504 /nfs/dbraw/zinc/16/65/04/222166504.db2.gz PUIDXAXJSWAQKH-ZIAGYGMSSA-N 1 0 362.420 3.962 50 0 FHAARO CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000097227454 222170587 /nfs/dbraw/zinc/17/05/87/222170587.db2.gz VGUWOGSHGBAHRI-DXMSMQRWSA-N 1 0 363.445 3.797 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@]2(CCCO2)CC1 ZINC000097475531 222183324 /nfs/dbraw/zinc/18/33/24/222183324.db2.gz VFFAVQWSJDVWNN-JOCHJYFZSA-N 1 0 356.510 3.848 50 0 FHAARO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)s1 ZINC000101363709 222272040 /nfs/dbraw/zinc/27/20/40/222272040.db2.gz RLHOWHVHHMGIKE-VQFNDLOPSA-N 1 0 356.491 3.730 50 0 FHAARO COCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)cn1 ZINC000102546439 222299519 /nfs/dbraw/zinc/29/95/19/222299519.db2.gz BCWBMUCJDHSHGB-REPLKXPHSA-N 1 0 355.457 3.981 50 0 FHAARO Nc1ncccc1CN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000102839877 222310276 /nfs/dbraw/zinc/31/02/76/222310276.db2.gz OJYVEWKOWBRYIT-JOCHJYFZSA-N 1 0 350.510 3.542 50 0 FHAARO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(C)s2)C[C@H]1CCO ZINC000104496583 222359938 /nfs/dbraw/zinc/35/99/38/222359938.db2.gz SNSPHNWERPDHCW-LJQANCHMSA-N 1 0 374.550 3.524 50 0 FHAARO c1cc([C@H]2CCCCO2)oc1CN1CCC[N@H+](Cc2ccncc2)CC1 ZINC000106265081 222385002 /nfs/dbraw/zinc/38/50/02/222385002.db2.gz RSUIKKWBJGHYCX-HXUWFJFHSA-N 1 0 355.482 3.624 50 0 FHAARO COc1cccc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1 ZINC000004679655 263335779 /nfs/dbraw/zinc/33/57/79/263335779.db2.gz OZHXVLHKZBGOIF-UHFFFAOYSA-N 1 0 352.478 3.566 50 0 FHAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=CC[C@@H]1c1ccccc1 ZINC000008559887 263356215 /nfs/dbraw/zinc/35/62/15/263356215.db2.gz XLNSAKYUEHNFKB-JOCHJYFZSA-N 1 0 361.489 3.901 50 0 FHAARO C[C@@H]1C[NH+](CCCOc2ccc(Br)cc2Cl)C[C@@H](C)O1 ZINC000020167658 263378677 /nfs/dbraw/zinc/37/86/77/263378677.db2.gz CRJHFZBEQQKMED-VXGBXAGGSA-N 1 0 362.695 3.981 50 0 FHAARO C[C@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1ccc(Cl)cc1Cl ZINC000027398710 263389681 /nfs/dbraw/zinc/38/96/81/263389681.db2.gz RPSUNZIPIIFFNN-NSHDSACASA-N 1 0 353.249 3.708 50 0 FHAARO O=C(NCCc1ccccc1F)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000047936080 263406092 /nfs/dbraw/zinc/40/60/92/263406092.db2.gz DEKUNGXAXHWOIO-UHFFFAOYSA-N 1 0 358.432 3.536 50 0 FHAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000426471050 263597153 /nfs/dbraw/zinc/59/71/53/263597153.db2.gz TVJWTWQHEJMZRT-FQEVSTJZSA-N 1 0 351.494 3.902 50 0 FHAARO O=C(c1ccc(-c2ccncc2F)cc1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000426563213 263635230 /nfs/dbraw/zinc/63/52/30/263635230.db2.gz VLVCPIDCMOGZPB-IBGZPJMESA-N 1 0 367.468 3.978 50 0 FHAARO C[C@@H](CNC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)Oc1cccnc1 ZINC000299762234 533997172 /nfs/dbraw/zinc/99/71/72/533997172.db2.gz MQFDBLBYQIDZHQ-KRWDZBQOSA-N 1 0 368.481 3.657 50 0 FHAARO Cc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)cc1OCCC[NH3+] ZINC000299800064 534263247 /nfs/dbraw/zinc/26/32/47/534263247.db2.gz VIKNYZXHAWZIKE-UHFFFAOYSA-N 1 0 358.869 3.795 50 0 FHAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCC3=CCCCC3)C2=O)cc1 ZINC000020595533 520385238 /nfs/dbraw/zinc/38/52/38/520385238.db2.gz WCSBHTYLBIUDCA-IBGZPJMESA-N 1 0 356.466 3.587 50 0 FHAARO CC(C)(C)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057561410 534520553 /nfs/dbraw/zinc/52/05/53/534520553.db2.gz OSNSMKVMMUIUCS-UHFFFAOYSA-N 1 0 351.494 3.993 50 0 FHAARO CCCCc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)[nH]1 ZINC000091645266 521297256 /nfs/dbraw/zinc/29/72/56/521297256.db2.gz MLZALKILFLAAEA-JOCHJYFZSA-N 1 0 372.557 3.900 50 0 FHAARO COc1cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc(Cl)c1OC ZINC000078940980 522461477 /nfs/dbraw/zinc/46/14/77/522461477.db2.gz AQJFTYMDOIQEOL-MRXNPFEDSA-N 1 0 364.873 3.877 50 0 FHAARO COc1cc2c(cc1C[N@@H+]1CC[C@H](Cc3cccc(CO)c3)C1)CCC2 ZINC000091351240 522999761 /nfs/dbraw/zinc/99/97/61/522999761.db2.gz WJPLVCYQKPBSBC-GOSISDBHSA-N 1 0 351.490 3.741 50 0 FHAARO COc1ccc(CN(CC[NH+](C)C)C(=S)NC2CCCCCC2)cc1 ZINC000020215528 524012625 /nfs/dbraw/zinc/01/26/25/524012625.db2.gz HLWXAANQRXARQH-UHFFFAOYSA-N 1 0 363.571 3.656 50 0 FHAARO Cc1cc(CSc2ccccc2C(=O)NCCC2=CC[N@H+](C)CC2)on1 ZINC000089608719 524818078 /nfs/dbraw/zinc/81/80/78/524818078.db2.gz DMGBCAYGVIFBEM-UHFFFAOYSA-N 1 0 371.506 3.657 50 0 FHAARO COc1ccc(OC)c(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000239432918 524827974 /nfs/dbraw/zinc/82/79/74/524827974.db2.gz WWUIJHJNWLBGLM-UNMCSNQZSA-N 1 0 358.526 3.933 50 0 FHAARO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C3CC3)cc2)C[C@@H](C)O1 ZINC000241338646 524863335 /nfs/dbraw/zinc/86/33/35/524863335.db2.gz MCRIAALTXYIHNB-FTIBCMOBSA-N 1 0 370.537 3.994 50 0 FHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)C1 ZINC000269291311 525010369 /nfs/dbraw/zinc/01/03/69/525010369.db2.gz UKYNUHLETGDQMJ-UKRRQHHQSA-N 1 0 360.404 3.957 50 0 FHAARO Cc1[nH]c2c(c1CC(=O)N(CC[NH+](C)C)C1CCCC1)c(C)ccc2C ZINC000091492904 525415895 /nfs/dbraw/zinc/41/58/95/525415895.db2.gz GLEJPQANGUEXEE-UHFFFAOYSA-N 1 0 355.526 3.968 50 0 FHAARO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000252444176 525981803 /nfs/dbraw/zinc/98/18/03/525981803.db2.gz JSLVRTSJDMQJMU-MJGOQNOKSA-N 1 0 369.534 3.622 50 0 FHAARO O=C1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CCN1c1ccccc1 ZINC000082108043 527003602 /nfs/dbraw/zinc/00/36/02/527003602.db2.gz RZXDGZFHZXYUPN-UHFFFAOYSA-N 1 0 369.534 3.583 50 0 FHAARO Cn1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c2ccccc21 ZINC000020936089 527164688 /nfs/dbraw/zinc/16/46/88/527164688.db2.gz HJUKSMCUKFJQIN-IBGZPJMESA-N 1 0 351.450 3.728 50 0 FHAARO [NH3+]C[C@@H]1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000178537106 527217086 /nfs/dbraw/zinc/21/70/86/527217086.db2.gz OPNODPPLTNCGEI-ZDUSSCGKSA-N 1 0 364.367 3.919 50 0 FHAARO [NH3+]C[C@@H]1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000178589173 527217907 /nfs/dbraw/zinc/21/79/07/527217907.db2.gz LOOQOYMMCDAKKE-NSHDSACASA-N 1 0 366.248 3.602 50 0 FHAARO Cc1ncsc1CCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091451925 527485236 /nfs/dbraw/zinc/48/52/36/527485236.db2.gz HSEMCPVBPCWGKQ-RTBURBONSA-N 1 0 369.534 3.507 50 0 FHAARO O[C@@H](CSc1ccccc1Cl)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020384923 527662974 /nfs/dbraw/zinc/66/29/74/527662974.db2.gz XXQIVDMNQZDYMB-QGZVFWFLSA-N 1 0 362.926 3.615 50 0 FHAARO O[C@@H](CSc1cccc(Cl)c1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020384913 527662984 /nfs/dbraw/zinc/66/29/84/527662984.db2.gz NSNRUVWGIWQUCM-GOSISDBHSA-N 1 0 362.926 3.615 50 0 FHAARO Cc1nn(C)c(Cl)c1CN1CCC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000020450515 527665960 /nfs/dbraw/zinc/66/59/60/527665960.db2.gz KMMCAUCBVZGZTC-SFHVURJKSA-N 1 0 360.933 3.521 50 0 FHAARO CC(C)c1noc([C@H]2CCC[N@H+](Cc3cc(F)ccc3-n3cccn3)C2)n1 ZINC000214954603 568034453 /nfs/dbraw/zinc/03/44/53/568034453.db2.gz MFLMHXLYDIPBIZ-HNNXBMFYSA-N 1 0 369.444 3.897 50 0 FHAARO CCc1nc(C)sc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000215057540 568047237 /nfs/dbraw/zinc/04/72/37/568047237.db2.gz CCWYGKWMFUTLFW-INIZCTEOSA-N 1 0 357.523 3.574 50 0 FHAARO Cc1ccc(CN(Cc2ccccn2)C(=O)C[C@@H]2CCCC[N@H+]2C)s1 ZINC000216015206 568100790 /nfs/dbraw/zinc/10/07/90/568100790.db2.gz STBXXSABSHGSBC-SFHVURJKSA-N 1 0 357.523 3.855 50 0 FHAARO O=C(NCCc1ccccc1)N(CC1CC1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000604406012 568296253 /nfs/dbraw/zinc/29/62/53/568296253.db2.gz XSWRUVVOPZVZMA-FCHUYYIVSA-N 1 0 369.553 3.915 50 0 FHAARO OCC1(C[NH+]2CCCC2)CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000220739376 568360069 /nfs/dbraw/zinc/36/00/69/568360069.db2.gz GWZSEKUOSTYJLB-UHFFFAOYSA-N 1 0 357.325 3.664 50 0 FHAARO CC[NH+](CC)[C@@H](CNC(=O)c1oc2c(c1C)C(=O)CCC2)c1ccccc1 ZINC000032921968 568424468 /nfs/dbraw/zinc/42/44/68/568424468.db2.gz MZDIGOCTLZGFPY-KRWDZBQOSA-N 1 0 368.477 3.920 50 0 FHAARO O=C1CC2(CN1C/C=C/c1ccccc1)CC[NH+](Cc1ccccn1)CC2 ZINC000091808742 570439406 /nfs/dbraw/zinc/43/94/06/570439406.db2.gz KZLRMUPKJHLYLU-RMKNXTFCSA-N 1 0 361.489 3.610 50 0 FHAARO COc1ccc2c(cc(C(=O)N3CCC[N@@H+](C4CCCCC4)CC3)n2C)c1 ZINC000091873238 570441475 /nfs/dbraw/zinc/44/14/75/570441475.db2.gz FNFVQCKWQSVPPX-UHFFFAOYSA-N 1 0 369.509 3.668 50 0 FHAARO CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](Cc3cccc(CO)c3)C2)cc1CO ZINC000091907531 570442515 /nfs/dbraw/zinc/44/25/15/570442515.db2.gz CEXATUPUFZRWFK-FQEVSTJZSA-N 1 0 369.505 3.523 50 0 FHAARO CNc1nc(C[N@@H+]2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)cs1 ZINC000091998019 570444522 /nfs/dbraw/zinc/44/45/22/570444522.db2.gz IPPAWUWQGYUAAZ-LJQANCHMSA-N 1 0 359.495 3.758 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC000092028980 570445494 /nfs/dbraw/zinc/44/54/94/570445494.db2.gz MOFUOUGLUMXZRO-FQEVSTJZSA-N 1 0 351.494 3.747 50 0 FHAARO O=c1cc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)[nH]c2ccccc12 ZINC000092062076 570446653 /nfs/dbraw/zinc/44/66/53/570446653.db2.gz IIEMHHUGZBUVST-OAQYLSRUSA-N 1 0 373.500 3.616 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCCN(c2ccccc2)CC1 ZINC000095353534 570452128 /nfs/dbraw/zinc/45/21/28/570452128.db2.gz PFCKHFROYOKYEH-UHFFFAOYSA-N 1 0 363.505 3.635 50 0 FHAARO O=C(c1cc2ccccc2[nH]1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095353511 570452147 /nfs/dbraw/zinc/45/21/47/570452147.db2.gz OCMHQCALLUYCEC-UYAOXDASSA-N 1 0 359.473 3.905 50 0 FHAARO Cc1nc2ncccc2c(N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000095354886 570452620 /nfs/dbraw/zinc/45/26/20/570452620.db2.gz CTJJLICSMYVKOH-MRXNPFEDSA-N 1 0 351.429 3.549 50 0 FHAARO Cc1nc2ccc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)cc2s1 ZINC000095359018 570453900 /nfs/dbraw/zinc/45/39/00/570453900.db2.gz ICWUBXYDFHLULI-SJLPKXTDSA-N 1 0 369.534 3.941 50 0 FHAARO O=C(c1ccon1)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095360246 570453946 /nfs/dbraw/zinc/45/39/46/570453946.db2.gz KZUCUEIYMDCEJD-GOSISDBHSA-N 1 0 365.477 3.549 50 0 FHAARO O=C(c1ccc2[nH]ccc2c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095364526 570455161 /nfs/dbraw/zinc/45/51/61/570455161.db2.gz ZSWGEDOAICCGPB-GHTZIAJQSA-N 1 0 359.473 3.905 50 0 FHAARO Cc1ccc([C@@H](NC(=O)CCC[NH+]2CCCCC2)c2ccncc2)cc1 ZINC000095375710 570457420 /nfs/dbraw/zinc/45/74/20/570457420.db2.gz HLOSCCAVUMXLIM-JOCHJYFZSA-N 1 0 351.494 3.862 50 0 FHAARO Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095377270 570457939 /nfs/dbraw/zinc/45/79/39/570457939.db2.gz UPBKGVPBFIJKJI-KRWDZBQOSA-N 1 0 365.477 3.640 50 0 FHAARO COc1ccc([C@@H]2C[N@H+](Cc3cccc(F)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095388866 570460869 /nfs/dbraw/zinc/46/08/69/570460869.db2.gz UBMOZKRIYNALIT-YTFSRNRJSA-N 1 0 366.480 3.897 50 0 FHAARO COCCN(Cc1ccccc1F)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095392454 570461401 /nfs/dbraw/zinc/46/14/01/570461401.db2.gz DCRCDRKGJUGMMG-IBGZPJMESA-N 1 0 370.468 3.582 50 0 FHAARO Cc1cc(C)c(C(=O)N2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)cn1 ZINC000095499338 570462881 /nfs/dbraw/zinc/46/28/81/570462881.db2.gz NNVPDJXRUQRXTJ-HXUWFJFHSA-N 1 0 363.505 3.793 50 0 FHAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC000095518757 570466869 /nfs/dbraw/zinc/46/68/69/570466869.db2.gz STPORBDPVVFKFT-IBGZPJMESA-N 1 0 360.546 3.511 50 0 FHAARO Cc1nc2c(c(N(C)CC[C@@H](C)[NH+]3CCCC3)n1)Cc1ccccc1OC2 ZINC000095518691 570466940 /nfs/dbraw/zinc/46/69/40/570466940.db2.gz XUXJRMKYKWXCDW-MRXNPFEDSA-N 1 0 366.509 3.579 50 0 FHAARO CC[NH+]1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000095525980 570468540 /nfs/dbraw/zinc/46/85/40/570468540.db2.gz ZNUAVULYWMBFNM-UHFFFAOYSA-N 1 0 350.890 3.876 50 0 FHAARO CCCC[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC000001778608 570507564 /nfs/dbraw/zinc/50/75/64/570507564.db2.gz GVZRYPSKCNYXLI-CYBMUJFWSA-N 1 0 366.527 3.720 50 0 FHAARO Cc1cc2c3nnc(SCC[NH+]4CCCCC4)nc3n(C)c2c(C)c1 ZINC000002434396 570521212 /nfs/dbraw/zinc/52/12/12/570521212.db2.gz RJCSBUFJYXCPFJ-UHFFFAOYSA-N 1 0 355.511 3.711 50 0 FHAARO Cc1ccc(C(=O)c2cccc(C[NH+]3CCC4(CC3)OCCO4)c2)cc1 ZINC000002515216 570523095 /nfs/dbraw/zinc/52/30/95/570523095.db2.gz QTYVQIDTIPARSK-UHFFFAOYSA-N 1 0 351.446 3.565 50 0 FHAARO O=C(c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1)c1cc(F)cc(F)c1 ZINC000002515258 570523258 /nfs/dbraw/zinc/52/32/58/570523258.db2.gz HGVWQZOANLTDAA-UHFFFAOYSA-N 1 0 373.399 3.535 50 0 FHAARO CC(C)C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000034682573 570531703 /nfs/dbraw/zinc/53/17/03/570531703.db2.gz XEAIUENCISZNQB-UHFFFAOYSA-N 1 0 355.457 3.874 50 0 FHAARO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCS1 ZINC000072304983 570537544 /nfs/dbraw/zinc/53/75/44/570537544.db2.gz KKEYQULHXLGGRT-ZQIUZPCESA-N 1 0 354.947 3.979 50 0 FHAARO OCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000002862112 570539925 /nfs/dbraw/zinc/53/99/25/570539925.db2.gz AVTGWJNSLCDMMD-UHFFFAOYSA-N 1 0 370.674 3.763 50 0 FHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)C1 ZINC000237067968 570541774 /nfs/dbraw/zinc/54/17/74/570541774.db2.gz YDHVMZVGBGQXSC-OAHLLOKOSA-N 1 0 358.507 3.804 50 0 FHAARO CC(C)Oc1ccc(Br)cc1C[NH2+]CCOc1ccccn1 ZINC000113395738 570543903 /nfs/dbraw/zinc/54/39/03/570543903.db2.gz JXUNIGWWPKIEPT-UHFFFAOYSA-N 1 0 365.271 3.800 50 0 FHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)C1 ZINC000237252756 570547094 /nfs/dbraw/zinc/54/70/94/570547094.db2.gz YDHVMZVGBGQXSC-HNNXBMFYSA-N 1 0 358.507 3.804 50 0 FHAARO C[C@H]1C[N@H+](CCC(=O)c2ccc3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000004122135 570577229 /nfs/dbraw/zinc/57/72/29/570577229.db2.gz ZQDSJXICMNDKBG-LPHOPBHVSA-N 1 0 351.446 3.766 50 0 FHAARO COc1ccccc1N1CCN(C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000004140874 570578428 /nfs/dbraw/zinc/57/84/28/570578428.db2.gz DMCVDNXNXYSMHV-UHFFFAOYSA-N 1 0 357.542 3.614 50 0 FHAARO O[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)CSc1ccc(F)cc1 ZINC000004299429 570583856 /nfs/dbraw/zinc/58/38/56/570583856.db2.gz KAXFVIRAZLZREN-HXUWFJFHSA-N 1 0 374.525 3.533 50 0 FHAARO Cc1ccccc1C[N@H+](C[C@@H](O)COc1ccccc1C)C[C@H]1CCCO1 ZINC000248019044 570595480 /nfs/dbraw/zinc/59/54/80/570595480.db2.gz LPBYLAZOYHYLRD-FGZHOGPDSA-N 1 0 369.505 3.724 50 0 FHAARO Cn1cccc1[C@@H](CNC(=O)Cc1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000011846220 570596456 /nfs/dbraw/zinc/59/64/56/570596456.db2.gz MXNZMDGEKUQOFO-HXUWFJFHSA-N 1 0 373.928 3.955 50 0 FHAARO CC(C)c1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)no1 ZINC000124330992 570596887 /nfs/dbraw/zinc/59/68/87/570596887.db2.gz UXPJSMIUNOARIC-AZUAARDMSA-N 1 0 367.493 3.925 50 0 FHAARO O=c1c2ccccc2nc(C[NH2+]C2CCCCC2)n1-c1ccc(F)cc1 ZINC000004662430 570599135 /nfs/dbraw/zinc/59/91/35/570599135.db2.gz SXZBUQWFJWZGEO-UHFFFAOYSA-N 1 0 351.425 3.947 50 0 FHAARO Cn1cccc1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426433962 570604661 /nfs/dbraw/zinc/60/46/61/570604661.db2.gz FFNGEYZBVRSFJJ-NRFANRHFSA-N 1 0 353.510 3.691 50 0 FHAARO COc1cc(Cl)c(C[N@H+]2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)c(OC)c1 ZINC000426490198 570607712 /nfs/dbraw/zinc/60/77/12/570607712.db2.gz JHSIGUVTYJWPRL-ZNZDAUKMSA-N 1 0 369.889 3.516 50 0 FHAARO C[C@H](O)C[NH2+]CCCCOc1ccc2ccccc2c1Br ZINC000004833306 570609248 /nfs/dbraw/zinc/60/92/48/570609248.db2.gz QTGIDQIPSPGGAR-ZDUSSCGKSA-N 1 0 352.272 3.732 50 0 FHAARO CCOC[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000246277559 570612068 /nfs/dbraw/zinc/61/20/68/570612068.db2.gz WMMXOHNOHWSBNJ-OXJNMPFZSA-N 1 0 356.441 3.864 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1ccccc1NC(=O)Nc1cccc(F)c1 ZINC000005470997 570627765 /nfs/dbraw/zinc/62/77/65/570627765.db2.gz OGGIZVKNPKQNIK-UHFFFAOYSA-N 1 0 372.444 3.541 50 0 FHAARO COCc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000192565357 570643657 /nfs/dbraw/zinc/64/36/57/570643657.db2.gz AVLQJRUXBHYKLO-HXUWFJFHSA-N 1 0 367.493 3.519 50 0 FHAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 ZINC000006662187 570651102 /nfs/dbraw/zinc/65/11/02/570651102.db2.gz IVEBNBQFDFEQFZ-UHFFFAOYSA-N 1 0 368.872 3.578 50 0 FHAARO Cc1ccc([C@@]2(CC[NH2+]CCCN3CCOCC3)CCOC(C)(C)C2)cc1 ZINC000006764438 570653961 /nfs/dbraw/zinc/65/39/61/570653961.db2.gz YSJQWRGABJJOQC-QHCPKHFHSA-N 1 0 374.569 3.524 50 0 FHAARO CC[NH+](CC)CCCNc1cc(Sc2ccc(NC(C)=O)cc2)ncn1 ZINC000007039501 570658802 /nfs/dbraw/zinc/65/88/02/570658802.db2.gz DUQITKWOGHMROJ-UHFFFAOYSA-N 1 0 373.526 3.730 50 0 FHAARO CCOc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)cc1 ZINC000002966487 570678957 /nfs/dbraw/zinc/67/89/57/570678957.db2.gz MPEBCBPXJWNSLX-JOCHJYFZSA-N 1 0 351.470 3.736 50 0 FHAARO Cc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009062536 570691410 /nfs/dbraw/zinc/69/14/10/570691410.db2.gz GJBOOKGVVIROFS-UHFFFAOYSA-N 1 0 350.506 3.956 50 0 FHAARO COc1ccc(OC)c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010339019 570700276 /nfs/dbraw/zinc/70/02/76/570700276.db2.gz UGAHWTDYNKCLKJ-UHFFFAOYSA-N 1 0 354.450 3.942 50 0 FHAARO Cc1cc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000010450783 570700746 /nfs/dbraw/zinc/70/07/46/570700746.db2.gz RZUWLFUMXMDQJG-UHFFFAOYSA-N 1 0 372.896 3.808 50 0 FHAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2(C)COC2)c1 ZINC000011712054 570705695 /nfs/dbraw/zinc/70/56/95/570705695.db2.gz GNWXXYMWXLHRFQ-UHFFFAOYSA-N 1 0 363.461 3.674 50 0 FHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C4CCCC4)C3)C2)c1 ZINC000011715366 570705769 /nfs/dbraw/zinc/70/57/69/570705769.db2.gz HXFFOHVYEKZHPL-JOCHJYFZSA-N 1 0 374.500 3.839 50 0 FHAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000011771837 570706689 /nfs/dbraw/zinc/70/66/89/570706689.db2.gz KWVWXOAXKQRBFG-NRFANRHFSA-N 1 0 361.489 3.947 50 0 FHAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1cccnc1Oc1ccccc1F ZINC000011820643 570708396 /nfs/dbraw/zinc/70/83/96/570708396.db2.gz ZBASEBZQIWWQLY-QGZVFWFLSA-N 1 0 357.429 3.504 50 0 FHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cc3ccccc3o2)CC1)C1CC1 ZINC000011878162 570710961 /nfs/dbraw/zinc/71/09/61/570710961.db2.gz UDJBHLRVNVJCAN-UHFFFAOYSA-N 1 0 364.449 3.815 50 0 FHAARO COc1cccc(-c2cc(CC3(O)CC[NH+](CCC(C)C)CC3)on2)c1 ZINC000011934951 570711868 /nfs/dbraw/zinc/71/18/68/570711868.db2.gz ZWARZSHTNMUUDZ-UHFFFAOYSA-N 1 0 358.482 3.766 50 0 FHAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1)NC1CC1 ZINC000011998089 570713403 /nfs/dbraw/zinc/71/34/03/570713403.db2.gz RVZBAQFXXMBRLS-CQSZACIVSA-N 1 0 352.425 3.559 50 0 FHAARO CC(C)[NH+]1CCC(CNC(=O)c2cc([C@@H](C)c3ccccc3)no2)CC1 ZINC000012052895 570715602 /nfs/dbraw/zinc/71/56/02/570715602.db2.gz WJJQDKSKMKYTIG-INIZCTEOSA-N 1 0 355.482 3.677 50 0 FHAARO CC(C)[NH+]1CCC(CNC(=O)c2cc([C@H](C)c3ccccc3)no2)CC1 ZINC000012052899 570715635 /nfs/dbraw/zinc/71/56/35/570715635.db2.gz WJJQDKSKMKYTIG-MRXNPFEDSA-N 1 0 355.482 3.677 50 0 FHAARO Cc1c([C@@H](C)[NH2+]C2CSCCSC2)cnn1-c1cccc(F)c1 ZINC000012076421 570717243 /nfs/dbraw/zinc/71/72/43/570717243.db2.gz NPDYBWFZIYRKEH-GFCCVEGCSA-N 1 0 351.516 3.819 50 0 FHAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cccc(F)c2)c1 ZINC000012123413 570720797 /nfs/dbraw/zinc/72/07/97/570720797.db2.gz YSMNSCKWEQRSAM-IBGZPJMESA-N 1 0 356.441 3.505 50 0 FHAARO COc1cccc2c1OC[C@@H]([NH2+]CCc1nc(-c3ccccc3)cs1)C2 ZINC000012226266 570730069 /nfs/dbraw/zinc/73/00/69/570730069.db2.gz LGTKYXLMGMMOAE-KRWDZBQOSA-N 1 0 366.486 3.955 50 0 FHAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](CC2CC2)CC1 ZINC000012304656 570734293 /nfs/dbraw/zinc/73/42/93/570734293.db2.gz CLXPMQYYDFMNJN-UHFFFAOYSA-N 1 0 351.450 3.934 50 0 FHAARO O=C1N(CCCc2ccccc2)CCC[C@@]12CC[N@H+](Cc1ccncc1)C2 ZINC000012308172 570735461 /nfs/dbraw/zinc/73/54/61/570735461.db2.gz OGCMXKFINKNLIW-QHCPKHFHSA-N 1 0 363.505 3.529 50 0 FHAARO COC(=O)c1ccc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 ZINC000012315854 570735877 /nfs/dbraw/zinc/73/58/77/570735877.db2.gz CENSEVPBKJLAMZ-CQSZACIVSA-N 1 0 367.424 3.957 50 0 FHAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000012318852 570736195 /nfs/dbraw/zinc/73/61/95/570736195.db2.gz RPCRSNRTYQYFMO-JOCHJYFZSA-N 1 0 368.477 3.696 50 0 FHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2csc3nc(-c4ccccc4)cn23)C1 ZINC000012316534 570736365 /nfs/dbraw/zinc/73/63/65/570736365.db2.gz XSTOQYJLXCXOIZ-INIZCTEOSA-N 1 0 368.506 3.619 50 0 FHAARO O=C(CC[NH+]1CCCCC1)NCc1cccnc1Oc1ccccc1F ZINC000012318255 570736389 /nfs/dbraw/zinc/73/63/89/570736389.db2.gz PZWZKIODVUZANJ-UHFFFAOYSA-N 1 0 357.429 3.505 50 0 FHAARO O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccc2cc[nH]c2c1 ZINC000012387230 570741440 /nfs/dbraw/zinc/74/14/40/570741440.db2.gz KMWHFCLEAARUCL-NRFANRHFSA-N 1 0 361.489 3.995 50 0 FHAARO CN(C)c1ccc(CCC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000012434694 570745221 /nfs/dbraw/zinc/74/52/21/570745221.db2.gz JNCALDWCLWBGJZ-FQEVSTJZSA-N 1 0 371.569 3.989 50 0 FHAARO CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000032593806 570750595 /nfs/dbraw/zinc/75/05/95/570750595.db2.gz UXIKRHJZQAMDPG-FQEVSTJZSA-N 1 0 358.457 3.747 50 0 FHAARO COc1ccc(CC(=O)N(C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C(C)C)cc1 ZINC000583647555 570812055 /nfs/dbraw/zinc/81/20/55/570812055.db2.gz GGRXMHLVJVQUJE-FPOVZHCZSA-N 1 0 358.526 3.739 50 0 FHAARO CC[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000032825243 570816823 /nfs/dbraw/zinc/81/68/23/570816823.db2.gz VFTZTHGVMFPTCF-UHFFFAOYSA-N 1 0 360.841 3.919 50 0 FHAARO O=C(Cc1c(F)cccc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000005704787 570824383 /nfs/dbraw/zinc/82/43/83/570824383.db2.gz SPKIJRXRWGGHJN-INIZCTEOSA-N 1 0 350.821 3.568 50 0 FHAARO CC[NH+](CC)CC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C ZINC000014956438 570827017 /nfs/dbraw/zinc/82/70/17/570827017.db2.gz PMBVUZZROSQHAK-SFHVURJKSA-N 1 0 368.525 3.652 50 0 FHAARO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000032899658 570839540 /nfs/dbraw/zinc/83/95/40/570839540.db2.gz BMNMWIVEBXZKOA-UNMCSNQZSA-N 1 0 353.462 3.678 50 0 FHAARO COc1ccc(N2C(=O)[C@H](C[NH+]3CCCCC3)[C@H]2c2ccccc2)cc1 ZINC000005720512 570856400 /nfs/dbraw/zinc/85/64/00/570856400.db2.gz LLCAMQMPRIAKTP-NHCUHLMSSA-N 1 0 350.462 3.885 50 0 FHAARO CCC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983541 570866324 /nfs/dbraw/zinc/86/63/24/570866324.db2.gz BXZTWFPRDKOTPY-NHCUHLMSSA-N 1 0 370.468 3.982 50 0 FHAARO Fc1cccc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000020079499 570909408 /nfs/dbraw/zinc/90/94/08/570909408.db2.gz LBKHDUOMTXIYGA-UHFFFAOYSA-N 1 0 353.485 3.612 50 0 FHAARO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccsc3)C2)CC1 ZINC000020537705 570919247 /nfs/dbraw/zinc/91/92/47/570919247.db2.gz DDIOEIQHPZUETE-SFHVURJKSA-N 1 0 359.514 3.674 50 0 FHAARO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000020542727 570919915 /nfs/dbraw/zinc/91/99/15/570919915.db2.gz NMJBZAXBVRSGDP-KRWDZBQOSA-N 1 0 359.514 3.674 50 0 FHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)NCc1ccccc1F ZINC000046071882 570923325 /nfs/dbraw/zinc/92/33/25/570923325.db2.gz NTJYWXZZJOICOT-XLIONFOSSA-N 1 0 353.441 3.652 50 0 FHAARO CCCCNC(=O)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000048042747 570933585 /nfs/dbraw/zinc/93/35/85/570933585.db2.gz WPAJQCLSVQXCFY-UHFFFAOYSA-N 1 0 353.304 3.577 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)Nc3cccc4ccccc43)cn2)CC1 ZINC000022473500 570944250 /nfs/dbraw/zinc/94/42/50/570944250.db2.gz ULYVISZOTMFNQK-UHFFFAOYSA-N 1 0 361.449 3.631 50 0 FHAARO c1csc(C[N@H+]2CCCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)c1 ZINC000022892028 570952203 /nfs/dbraw/zinc/95/22/03/570952203.db2.gz NAZXXGIGDIUDOL-UHFFFAOYSA-N 1 0 352.507 3.846 50 0 FHAARO CCOc1cc2c(cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1)O[C@@H](C)C2 ZINC000022933804 570953872 /nfs/dbraw/zinc/95/38/72/570953872.db2.gz CUOMTNSDJHCUTN-QFBILLFUSA-N 1 0 370.493 3.928 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)c1ccccc1Cl ZINC000023081611 570956194 /nfs/dbraw/zinc/95/61/94/570956194.db2.gz LOQIQCVRUGDZGD-GOSISDBHSA-N 1 0 360.889 3.753 50 0 FHAARO CN1c2ccccc2C2(CC[NH+](Cc3ccc4ccccc4n3)CC2)C1=O ZINC000072161727 570958273 /nfs/dbraw/zinc/95/82/73/570958273.db2.gz CVZVCABSUQKPHS-UHFFFAOYSA-N 1 0 357.457 3.745 50 0 FHAARO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Nc1ccccc1)c1ccccc1O2 ZINC000023186875 570958756 /nfs/dbraw/zinc/95/87/56/570958756.db2.gz UHNKEVXXKGQPHH-SFHVURJKSA-N 1 0 351.450 3.796 50 0 FHAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000023249022 570961075 /nfs/dbraw/zinc/96/10/75/570961075.db2.gz AJWRAMYWSQSSHO-UHFFFAOYSA-N 1 0 373.500 3.639 50 0 FHAARO NC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3csnn3)cc2)s1 ZINC000023478398 570964238 /nfs/dbraw/zinc/96/42/38/570964238.db2.gz ICXLACZDOCPUTD-HNNXBMFYSA-N 1 0 370.503 3.703 50 0 FHAARO COc1ccc2sc(C(=O)N(C)C3CC[NH+](C)CC3)c(Cl)c2c1 ZINC000049752931 570965818 /nfs/dbraw/zinc/96/58/18/570965818.db2.gz DUAAWYFYNUFFTP-UHFFFAOYSA-N 1 0 352.887 3.730 50 0 FHAARO COc1cc2cc[n+](Cc3ccc(Br)cc3)cc2cc1OC ZINC000023746806 570967520 /nfs/dbraw/zinc/96/75/20/570967520.db2.gz ZNTAOPHPPGCFNI-UHFFFAOYSA-N 1 0 359.243 3.955 50 0 FHAARO C[C@H](CCc1ccccc1)NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025358733 570994751 /nfs/dbraw/zinc/99/47/51/570994751.db2.gz FMSDKKOEGFKTPK-DENIHFKCSA-N 1 0 350.506 3.831 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000025421262 570995491 /nfs/dbraw/zinc/99/54/91/570995491.db2.gz PPNIPEYWHLLJCX-KRWDZBQOSA-N 1 0 374.868 3.534 50 0 FHAARO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccc(C)n4)C3)C2=O)c1 ZINC000012448924 570996417 /nfs/dbraw/zinc/99/64/17/570996417.db2.gz MXAQRPDUXDOYEA-QHCPKHFHSA-N 1 0 363.505 3.713 50 0 FHAARO C[C@@H](NC(=O)CC[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000025946782 571001524 /nfs/dbraw/zinc/00/15/24/571001524.db2.gz ZZOZDTFMLJEJDL-GOSISDBHSA-N 1 0 364.489 3.849 50 0 FHAARO Cc1cc(O[C@@H](C)C(=O)NCC2([NH+](C)C)CCCCC2)ccc1Cl ZINC000027581378 571014070 /nfs/dbraw/zinc/01/40/70/571014070.db2.gz YLYLEFVCYOIKHP-HNNXBMFYSA-N 1 0 352.906 3.796 50 0 FHAARO Cc1ccccc1OCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027664277 571018182 /nfs/dbraw/zinc/01/81/82/571018182.db2.gz MAOIBXXALUGVLE-IBGZPJMESA-N 1 0 372.896 3.981 50 0 FHAARO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)[NH+]2CCCC2)cc1 ZINC000027793081 571021290 /nfs/dbraw/zinc/02/12/90/571021290.db2.gz HBGQUAHWHRDMHL-NRFANRHFSA-N 1 0 366.505 3.944 50 0 FHAARO Cc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027990296 571025103 /nfs/dbraw/zinc/02/51/03/571025103.db2.gz XRZBOFSKNLJGKA-OAQYLSRUSA-N 1 0 352.478 3.636 50 0 FHAARO CC(C)[N@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000011035151 571034310 /nfs/dbraw/zinc/03/43/10/571034310.db2.gz PUMTUNMXGFCXSE-UHFFFAOYSA-N 1 0 365.477 3.663 50 0 FHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000029118227 571037130 /nfs/dbraw/zinc/03/71/30/571037130.db2.gz KBJJIUNPHBSADN-SFHVURJKSA-N 1 0 363.461 3.776 50 0 FHAARO CC[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F)C(C)C ZINC000225472876 571038300 /nfs/dbraw/zinc/03/83/00/571038300.db2.gz UWTJNLBDJUKJNA-ULQDDVLXSA-N 1 0 356.432 3.848 50 0 FHAARO C[C@@H]([NH2+]C[C@@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CCCC1 ZINC000008327459 571040879 /nfs/dbraw/zinc/04/08/79/571040879.db2.gz SSDJHXCDVCEQKR-CRAIPNDOSA-N 1 0 367.518 3.962 50 0 FHAARO Cc1ccc(OCCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008341439 571041245 /nfs/dbraw/zinc/04/12/45/571041245.db2.gz OPAINFNSJILXFP-UHFFFAOYSA-N 1 0 366.505 3.935 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3)c(C)c2)CC1 ZINC000029617189 571042076 /nfs/dbraw/zinc/04/20/76/571042076.db2.gz VNOWXECZOXMKAZ-UHFFFAOYSA-N 1 0 356.445 3.920 50 0 FHAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@H]12 ZINC000225581604 571047152 /nfs/dbraw/zinc/04/71/52/571047152.db2.gz HIXYJQWLYQXPLW-WSTZPKSXSA-N 1 0 367.493 3.970 50 0 FHAARO CN(CC(F)(F)F)C(=O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000083858999 571054010 /nfs/dbraw/zinc/05/40/10/571054010.db2.gz NHZVPYDLPFDHEI-GOSISDBHSA-N 1 0 362.395 3.655 50 0 FHAARO Cc1ccc(Nc2cc(N3CCN(C(=O)CC(C)C)CC3)nc(C)n2)cc1 ZINC000033318299 571064141 /nfs/dbraw/zinc/06/41/41/571064141.db2.gz CDVABRQOVBLJBX-UHFFFAOYSA-N 1 0 367.497 3.532 50 0 FHAARO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2ccnc2)c1 ZINC000039942239 571066416 /nfs/dbraw/zinc/06/64/16/571066416.db2.gz QWOWAOIEDFBESX-UHFFFAOYSA-N 1 0 363.490 3.977 50 0 FHAARO C[C@@H](C1CC1)[N@H+](CCS(=O)(=O)Oc1ccccc1)Cc1ccccc1 ZINC000039976562 571066989 /nfs/dbraw/zinc/06/69/89/571066989.db2.gz PAIPHLIGGCNXDD-KRWDZBQOSA-N 1 0 359.491 3.696 50 0 FHAARO COc1cc(OC)c(NC(=O)C2CC[NH+](CC(C)C)CC2)cc1Cl ZINC000040150778 571085795 /nfs/dbraw/zinc/08/57/95/571085795.db2.gz KOOURWDFPWKCSE-UHFFFAOYSA-N 1 0 354.878 3.664 50 0 FHAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2ccccc2N2CCCC2)o1 ZINC000040152261 571086398 /nfs/dbraw/zinc/08/63/98/571086398.db2.gz JJKAYVKWHVSYFA-UHFFFAOYSA-N 1 0 370.497 3.784 50 0 FHAARO COc1ccc(S[C@@H](C)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000040153892 571086860 /nfs/dbraw/zinc/08/68/60/571086860.db2.gz JFCVWSWUOJCBTF-GUYCJALGSA-N 1 0 364.536 3.656 50 0 FHAARO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000039767171 571089781 /nfs/dbraw/zinc/08/97/81/571089781.db2.gz BFIFLZBGEDPIGY-KRWDZBQOSA-N 1 0 352.478 3.785 50 0 FHAARO COc1cccc(C[NH2+]C(C)(C)CO)c1OCc1c(F)cccc1Cl ZINC000040722425 571093150 /nfs/dbraw/zinc/09/31/50/571093150.db2.gz RBYKAPHUDPURIS-UHFFFAOYSA-N 1 0 367.848 3.927 50 0 FHAARO COc1ccc(CC[NH2+]Cc2ccc(OC(C)C)c(OC)c2)cc1OC ZINC000040729505 571094027 /nfs/dbraw/zinc/09/40/27/571094027.db2.gz AHEZASSKCUPUMC-UHFFFAOYSA-N 1 0 359.466 3.832 50 0 FHAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]Cc3ccccn3)c2)cc1 ZINC000040739158 571095576 /nfs/dbraw/zinc/09/55/76/571095576.db2.gz YQJVNTCSWMYGFV-UHFFFAOYSA-N 1 0 361.445 3.697 50 0 FHAARO OCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000040743692 571096122 /nfs/dbraw/zinc/09/61/22/571096122.db2.gz SXJGPSYMCCSKAG-UHFFFAOYSA-N 1 0 350.256 3.500 50 0 FHAARO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000012418006 571097279 /nfs/dbraw/zinc/09/72/79/571097279.db2.gz BHNRENOVHLLCMZ-PHIMTYICSA-N 1 0 364.795 3.797 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccccc3)c(C)c2)CC1 ZINC000009157756 571099664 /nfs/dbraw/zinc/09/96/64/571099664.db2.gz WQYSOWLDJFRVJT-UHFFFAOYSA-N 1 0 369.534 3.868 50 0 FHAARO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000044852850 571103062 /nfs/dbraw/zinc/10/30/62/571103062.db2.gz VJJZLXYSKBLUTQ-IBGZPJMESA-N 1 0 366.505 3.791 50 0 FHAARO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1C ZINC000009313907 571104259 /nfs/dbraw/zinc/10/42/59/571104259.db2.gz FERQRTDZSXDEPI-UHFFFAOYSA-N 1 0 367.493 3.750 50 0 FHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(SC(F)(F)F)cc2)N1 ZINC000009318929 571104468 /nfs/dbraw/zinc/10/44/68/571104468.db2.gz PJTHFDAAKPZOAQ-CYBMUJFWSA-N 1 0 363.368 3.745 50 0 FHAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cc3ccccc3s2)CC1 ZINC000009322124 571104842 /nfs/dbraw/zinc/10/48/42/571104842.db2.gz DIDCTDPQHZICIH-UHFFFAOYSA-N 1 0 351.475 3.905 50 0 FHAARO COc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c1 ZINC000004603149 571108839 /nfs/dbraw/zinc/10/88/39/571108839.db2.gz QMWMJOAVOVPQGQ-QGZVFWFLSA-N 1 0 352.478 3.785 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2cc3c(s2)CCC3)[NH+]2CCCC2)cc1 ZINC000009448973 571109635 /nfs/dbraw/zinc/10/96/35/571109635.db2.gz VGRUFVIURIIUEC-GOSISDBHSA-N 1 0 370.518 3.812 50 0 FHAARO CNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000074229823 571109949 /nfs/dbraw/zinc/10/99/49/571109949.db2.gz FZIJYFVELQFASA-JOCHJYFZSA-N 1 0 360.457 3.934 50 0 FHAARO CCc1cnc(CNC(=O)Nc2ccc(CC[NH+](CC)CC)cc2)s1 ZINC000241923321 571110658 /nfs/dbraw/zinc/11/06/58/571110658.db2.gz UEZSJQXPLKZHAA-UHFFFAOYSA-N 1 0 360.527 3.912 50 0 FHAARO COc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C(=O)c2cccs2)C1 ZINC000243901320 571112606 /nfs/dbraw/zinc/11/26/06/571112606.db2.gz BBHPLIVLMMIPSC-HNNXBMFYSA-N 1 0 372.490 3.680 50 0 FHAARO CCC[NH+]1CCN(c2ncnc3cc(-c4ccc(OC)cc4)sc32)CC1 ZINC000012812298 571113772 /nfs/dbraw/zinc/11/37/72/571113772.db2.gz WYSOGVJNXVZIRW-UHFFFAOYSA-N 1 0 368.506 3.899 50 0 FHAARO Cc1ccccc1NC(=O)CC[NH+]1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000244633763 571113813 /nfs/dbraw/zinc/11/38/13/571113813.db2.gz GJFOOBWPBSALGS-UHFFFAOYSA-N 1 0 368.481 3.539 50 0 FHAARO O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000244685577 571114303 /nfs/dbraw/zinc/11/43/03/571114303.db2.gz ISPHQMASVLXKSP-NSHGMRRFSA-N 1 0 370.518 3.586 50 0 FHAARO COc1ccccc1NC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000006053339 571115173 /nfs/dbraw/zinc/11/51/73/571115173.db2.gz PWGMBDRLVPODKF-APWZRJJASA-N 1 0 351.450 3.843 50 0 FHAARO CN(Cc1ccc2ccccc2n1)c1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244811545 571117943 /nfs/dbraw/zinc/11/79/43/571117943.db2.gz SGONNQZOOGLBOJ-QAQDUYKDSA-N 1 0 359.477 3.743 50 0 FHAARO Cc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2Cc3ccccc3CN2C)cc1C ZINC000244898922 571119819 /nfs/dbraw/zinc/11/98/19/571119819.db2.gz ZDYWKXGVLXOIPQ-QFIPXVFZSA-N 1 0 365.521 3.621 50 0 FHAARO O=c1cc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)nc2sccn21 ZINC000010140190 571122901 /nfs/dbraw/zinc/12/29/01/571122901.db2.gz HACVRKNJOJGZDP-UHFFFAOYSA-N 1 0 364.474 3.617 50 0 FHAARO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010334863 571125323 /nfs/dbraw/zinc/12/53/23/571125323.db2.gz IVATYRGGGFOCHF-UHFFFAOYSA-N 1 0 352.434 3.711 50 0 FHAARO CC[C@@H](CO)[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000248164370 571128170 /nfs/dbraw/zinc/12/81/70/571128170.db2.gz NIWHYTPIULMDGP-KRWDZBQOSA-N 1 0 370.884 3.507 50 0 FHAARO Cc1ccccc1Cn1nc(C[NH2+]C[C@H]2CCCO2)c(-c2ccccc2)n1 ZINC000248164311 571128267 /nfs/dbraw/zinc/12/82/67/571128267.db2.gz QPQLCUCDNVRJBO-HXUWFJFHSA-N 1 0 362.477 3.570 50 0 FHAARO CC[N@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)[C@H]1CCOC(C)(C)C1 ZINC000252484849 571132223 /nfs/dbraw/zinc/13/22/23/571132223.db2.gz GJKNZGHOPZJPGI-AWEZNQCLSA-N 1 0 354.878 3.567 50 0 FHAARO O=C(NCCc1ccc(Cl)s1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058412612 571132670 /nfs/dbraw/zinc/13/26/70/571132670.db2.gz ZLGUXXFWGAHYOH-UHFFFAOYSA-N 1 0 369.962 3.898 50 0 FHAARO C[N@@H+](Cc1cncn1C1CCCCC1)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000252495519 571133355 /nfs/dbraw/zinc/13/33/55/571133355.db2.gz ORZJRSZAGBSSEI-QGZVFWFLSA-N 1 0 358.530 3.611 50 0 FHAARO COCc1nc(NCc2ccc(Cl)c(Cl)c2)cc(C2CC([NH3+])C2)n1 ZINC000252504258 571133484 /nfs/dbraw/zinc/13/34/84/571133484.db2.gz VIXOSOPEBMBZGW-UHFFFAOYSA-N 1 0 367.280 3.747 50 0 FHAARO Cc1cccc2[nH]c(CC[N@H+](C)CCC(=O)Nc3cc(F)ccc3F)nc21 ZINC000252504535 571133507 /nfs/dbraw/zinc/13/35/07/571133507.db2.gz VJXAKBXVODHQIU-UHFFFAOYSA-N 1 0 372.419 3.653 50 0 FHAARO Cc1cccc(C2(C(=O)N3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)CCCC2)c1 ZINC000333230988 571143008 /nfs/dbraw/zinc/14/30/08/571143008.db2.gz BYLAGLYYSZYDIX-SFTDATJTSA-N 1 0 370.537 3.552 50 0 FHAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH2+]CC(C)C)cc1 ZINC000012915333 571144823 /nfs/dbraw/zinc/14/48/23/571144823.db2.gz FXLZHGGSHNDVCQ-HNNXBMFYSA-N 1 0 369.465 3.520 50 0 FHAARO Cc1cc(C)c(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000025398656 571144903 /nfs/dbraw/zinc/14/49/03/571144903.db2.gz WSHIFFMEJVOZHN-UHFFFAOYSA-N 1 0 374.868 3.799 50 0 FHAARO O=c1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)nc2ccc(Cl)cn12 ZINC000025445301 571146228 /nfs/dbraw/zinc/14/62/28/571146228.db2.gz XJFJGEDPKPRCLW-KRWDZBQOSA-N 1 0 357.816 3.824 50 0 FHAARO COc1cc(C[NH2+][C@H](C)[C@H]2CCCO2)ccc1OCc1c(C)noc1C ZINC000030908431 571151021 /nfs/dbraw/zinc/15/10/21/571151021.db2.gz GIKJWFLRUICSBJ-RDTXWAMCSA-N 1 0 360.454 3.536 50 0 FHAARO C[C@@H]1c2cccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)c2O[C@H]1C ZINC000035344178 571166996 /nfs/dbraw/zinc/16/69/96/571166996.db2.gz XKNWBHPDACSULG-MPGHIAIKSA-N 1 0 354.450 3.731 50 0 FHAARO Cc1ccc(C2=NC3(CC[NH+](Cc4ccc(C)cc4C)CC3)NC2=O)cc1 ZINC000035430880 571169727 /nfs/dbraw/zinc/16/97/27/571169727.db2.gz GWDONNFFSSRALI-UHFFFAOYSA-N 1 0 361.489 3.523 50 0 FHAARO CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072129030 571170671 /nfs/dbraw/zinc/17/06/71/571170671.db2.gz XUYBCUHNZXYHIG-ZDUSSCGKSA-N 1 0 368.868 3.565 50 0 FHAARO CCCCc1nc(Cl)c(CN2CCC[N@H+](Cc3cccnc3)CC2)[nH]1 ZINC000072128981 571170751 /nfs/dbraw/zinc/17/07/51/571170751.db2.gz NEQXLMRYRRJAHK-UHFFFAOYSA-N 1 0 361.921 3.509 50 0 FHAARO CCN(C)C(=O)c1ccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)nc1 ZINC000072130884 571171178 /nfs/dbraw/zinc/17/11/78/571171178.db2.gz XXIWYBKVTJXQFJ-IBGZPJMESA-N 1 0 367.493 3.621 50 0 FHAARO CCC[N@@H+]1CCC[C@H](CNc2nc(C3CCCC3)nc3c2cnn3C)C1 ZINC000072135403 571171273 /nfs/dbraw/zinc/17/12/73/571171273.db2.gz VBHAQHQMBOVXCS-OAHLLOKOSA-N 1 0 356.518 3.555 50 0 FHAARO CC[C@@H]1CN(Cc2ccc(OCc3ccccn3)cc2)CC[N@@H+]1C(C)C ZINC000072135199 571171477 /nfs/dbraw/zinc/17/14/77/571171477.db2.gz ZBPGHAPXOISVPP-OAQYLSRUSA-N 1 0 353.510 3.965 50 0 FHAARO c1csc(-c2ncc(C[NH+]3CCC(OCc4cccnc4)CC3)cn2)c1 ZINC000072138899 571171614 /nfs/dbraw/zinc/17/16/14/571171614.db2.gz NHZVSVPGOWKFNE-UHFFFAOYSA-N 1 0 366.490 3.781 50 0 FHAARO C[NH+]1CCC(NC(=O)c2ccc(OCCSc3ccccc3)cc2)CC1 ZINC000072139203 571171642 /nfs/dbraw/zinc/17/16/42/571171642.db2.gz FUDUPJUQVYZCQV-UHFFFAOYSA-N 1 0 370.518 3.682 50 0 FHAARO CCn1ccnc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072142053 571171956 /nfs/dbraw/zinc/17/19/56/571171956.db2.gz LAYBNGJGIOIKSB-UHFFFAOYSA-N 1 0 360.505 3.810 50 0 FHAARO COc1ccc(C[NH+]2CCC3(CCN(C(=O)C(C)C)CC3)CC2)cc1C ZINC000072141751 571172032 /nfs/dbraw/zinc/17/20/32/571172032.db2.gz VRKHGJOHQYHYPA-UHFFFAOYSA-N 1 0 358.526 3.864 50 0 FHAARO c1csc(-c2ncc(C[N@H+]3CCC[C@H](OCc4ccccn4)C3)cn2)c1 ZINC000072143675 571172360 /nfs/dbraw/zinc/17/23/60/571172360.db2.gz GOKJEFCFUFYQOR-SFHVURJKSA-N 1 0 366.490 3.781 50 0 FHAARO O=C(C[N@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1)NC1CC1 ZINC000072143327 571172421 /nfs/dbraw/zinc/17/24/21/571172421.db2.gz PFCBUDMFRGTBEN-CQSZACIVSA-N 1 0 354.416 3.629 50 0 FHAARO O=C(N1CCCC1)N1CCC2(CC1)CC[NH+](C/C=C/c1ccco1)CC2 ZINC000072146893 571173619 /nfs/dbraw/zinc/17/36/19/571173619.db2.gz IZZKRMLXIJCESO-HWKANZROSA-N 1 0 357.498 3.687 50 0 FHAARO c1cncc(CN2CCC[N@H+](Cc3ccc(-c4cccnc4)cc3)CC2)c1 ZINC000072149949 571174005 /nfs/dbraw/zinc/17/40/05/571174005.db2.gz CLJZNZSKDPQRQD-UHFFFAOYSA-N 1 0 358.489 3.852 50 0 FHAARO C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000072148513 571174034 /nfs/dbraw/zinc/17/40/34/571174034.db2.gz CSMPZKRSKDENEU-LJQANCHMSA-N 1 0 355.457 3.604 50 0 FHAARO Fc1ccc(OC2CC[NH+](Cc3cnc(-c4ccco4)nc3)CC2)cc1 ZINC000072152864 571174735 /nfs/dbraw/zinc/17/47/35/571174735.db2.gz QBDBBGCRMNGFJT-UHFFFAOYSA-N 1 0 353.397 3.919 50 0 FHAARO CCn1ncc(C[N@@H+]2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1C ZINC000072156562 571175095 /nfs/dbraw/zinc/17/50/95/571175095.db2.gz YCPCZVYIPXZAOZ-YTFSRNRJSA-N 1 0 364.537 3.582 50 0 FHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2cccs2)CC1 ZINC000012534525 571175831 /nfs/dbraw/zinc/17/58/31/571175831.db2.gz BBWGVLRNCLRTAR-UHFFFAOYSA-N 1 0 363.914 3.725 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2C)CC1 ZINC000012534473 571175860 /nfs/dbraw/zinc/17/58/60/571175860.db2.gz FKGJNXZNBVBMAD-UHFFFAOYSA-N 1 0 351.494 3.708 50 0 FHAARO COc1cccc(OC[C@H]2CCC[N@H+](Cc3cc(O)ccc3OC)C2)c1 ZINC000072161025 571175858 /nfs/dbraw/zinc/17/58/58/571175858.db2.gz DSBVOPKNHIIHQX-INIZCTEOSA-N 1 0 357.450 3.700 50 0 FHAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000072163005 571176179 /nfs/dbraw/zinc/17/61/79/571176179.db2.gz IMRYVNGWXRGLIR-UHFFFAOYSA-N 1 0 359.473 3.995 50 0 FHAARO Oc1cccc(C[N@@H+]2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072164078 571176325 /nfs/dbraw/zinc/17/63/25/571176325.db2.gz UDTSYLJTZQSOJZ-YPAWHYETSA-N 1 0 370.443 3.733 50 0 FHAARO O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072165154 571176338 /nfs/dbraw/zinc/17/63/38/571176338.db2.gz BSCFHBURCDOLTD-LBPRGKRZSA-N 1 0 350.340 3.914 50 0 FHAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000043972205 571178187 /nfs/dbraw/zinc/17/81/87/571178187.db2.gz OHMNYFIPIZRSQA-UHFFFAOYSA-N 1 0 373.478 3.511 50 0 FHAARO COc1ccc(C(=O)C2CC[NH+](Cn3c(C)nc4ccccc43)CC2)cc1 ZINC000012547239 571178671 /nfs/dbraw/zinc/17/86/71/571178671.db2.gz LZAHHWCYXQFLHJ-UHFFFAOYSA-N 1 0 363.461 3.906 50 0 FHAARO C[C@@H](OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000012550703 571179624 /nfs/dbraw/zinc/17/96/24/571179624.db2.gz XVFLPTFHXKTVFW-DYESRHJHSA-N 1 0 374.912 3.601 50 0 FHAARO CC(C)(C)NC(=O)c1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000044017571 571179692 /nfs/dbraw/zinc/17/96/92/571179692.db2.gz XORKIAPETVOGIV-UHFFFAOYSA-N 1 0 374.529 3.646 50 0 FHAARO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000012553293 571180470 /nfs/dbraw/zinc/18/04/70/571180470.db2.gz RXMMBAKPBLSWPG-LLVKDONJSA-N 1 0 366.870 3.868 50 0 FHAARO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2CCC3)cc1F ZINC000003422684 571182859 /nfs/dbraw/zinc/18/28/59/571182859.db2.gz XDEVPQBYWVQQSV-IBGZPJMESA-N 1 0 350.372 3.972 50 0 FHAARO C[C@@H](CNC(=O)COc1ccc2ccccc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000025634664 571189123 /nfs/dbraw/zinc/18/91/23/571189123.db2.gz YJZFMLGGFFEKEF-SFHVURJKSA-N 1 0 374.484 3.782 50 0 FHAARO CC[N@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000072407008 571191035 /nfs/dbraw/zinc/19/10/35/571191035.db2.gz MVIWBQIYYGFGAJ-UHFFFAOYSA-N 1 0 363.461 3.880 50 0 FHAARO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)CCc3ccccc3)C2)cn1 ZINC000072410463 571191694 /nfs/dbraw/zinc/19/16/94/571191694.db2.gz LNFNYLPVNPKFJQ-FQEVSTJZSA-N 1 0 351.494 3.562 50 0 FHAARO CNc1cc(C)[nH+]c(N[C@H]2CCCN(c3nc4ccccc4s3)C2)n1 ZINC000072418883 571192668 /nfs/dbraw/zinc/19/26/68/571192668.db2.gz DNORWQOVLPRBLG-ZDUSSCGKSA-N 1 0 354.483 3.517 50 0 FHAARO Cn1ncc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c1C1CC1 ZINC000072418327 571192692 /nfs/dbraw/zinc/19/26/92/571192692.db2.gz JBGXIEQVLWASSR-QNWVGRARSA-N 1 0 365.521 3.950 50 0 FHAARO CC(C)(O)CCc1cccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)c1 ZINC000072421998 571193295 /nfs/dbraw/zinc/19/32/95/571193295.db2.gz GQBQKQJPRNRJCA-UHFFFAOYSA-N 1 0 372.553 3.871 50 0 FHAARO O=C(c1ccc2ncccc2c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072423658 571193801 /nfs/dbraw/zinc/19/38/01/571193801.db2.gz XZKNNRCKJIORSO-UHFFFAOYSA-N 1 0 371.484 3.898 50 0 FHAARO CCC[NH+](CCC)C[C@H](O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000001804047 571194173 /nfs/dbraw/zinc/19/41/73/571194173.db2.gz WUHHKFJFGLSSEG-IBGZPJMESA-N 1 0 370.493 3.801 50 0 FHAARO CC(C)[NH2+][C@@H]1CC[C@@H]1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)[nH]1 ZINC000072429467 571195180 /nfs/dbraw/zinc/19/51/80/571195180.db2.gz JEYALKPWMDKZLV-MOPGFXCFSA-N 1 0 359.901 3.913 50 0 FHAARO CNc1nc(N[C@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)ncc1F ZINC000072429964 571195595 /nfs/dbraw/zinc/19/55/95/571195595.db2.gz XAFBDKNLHIVGKA-SFHVURJKSA-N 1 0 371.504 3.932 50 0 FHAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cccc3cc[nH]c32)CC1 ZINC000072432455 571195690 /nfs/dbraw/zinc/19/56/90/571195690.db2.gz OHWDABPUTVHMOA-UHFFFAOYSA-N 1 0 361.489 3.947 50 0 FHAARO CCN1C[C@]2(CCC[N@H+](CCCC(=O)c3ccc(F)cc3)C2)CCC1=O ZINC000072440816 571196861 /nfs/dbraw/zinc/19/68/61/571196861.db2.gz RKLVQPUNIXJUAV-OAQYLSRUSA-N 1 0 360.473 3.513 50 0 FHAARO COc1ccc(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000072446797 571197011 /nfs/dbraw/zinc/19/70/11/571197011.db2.gz XNWTYGPOYOYUGS-UHFFFAOYSA-N 1 0 368.477 3.658 50 0 FHAARO CN(C(=O)c1ccc(CCC(C)(C)O)cc1)[C@H](C[NH+](C)C)c1ccccc1 ZINC000072447758 571197100 /nfs/dbraw/zinc/19/71/00/571197100.db2.gz NSGHNSKASCOLBM-OAQYLSRUSA-N 1 0 368.521 3.765 50 0 FHAARO CCc1ccc(CN(C)C(=O)NC2(C[NH+]3CCCCC3)CCCCC2)nc1 ZINC000534583351 571205122 /nfs/dbraw/zinc/20/51/22/571205122.db2.gz JKLRDZFWAWHIDN-UHFFFAOYSA-N 1 0 372.557 3.974 50 0 FHAARO CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccc(C)s2)Cc2ccncc2)C1 ZINC000534635524 571206845 /nfs/dbraw/zinc/20/68/45/571206845.db2.gz WGSOAKRBNZFJLL-SFHVURJKSA-N 1 0 372.538 3.648 50 0 FHAARO CNc1nc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000077301516 571206900 /nfs/dbraw/zinc/20/69/00/571206900.db2.gz USOVACCLTJOCIM-KRWDZBQOSA-N 1 0 358.511 3.614 50 0 FHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(-c3c(C)[nH]nc3C3CC3)c2)C1 ZINC000534634906 571206938 /nfs/dbraw/zinc/20/69/38/571206938.db2.gz ZQRDJQZOKNHTPA-LJQANCHMSA-N 1 0 366.509 3.819 50 0 FHAARO CC[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccc(C)s2)Cc2ccncc2)C1 ZINC000534635523 571206953 /nfs/dbraw/zinc/20/69/53/571206953.db2.gz WGSOAKRBNZFJLL-GOSISDBHSA-N 1 0 372.538 3.648 50 0 FHAARO CNc1nc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000077301513 571207037 /nfs/dbraw/zinc/20/70/37/571207037.db2.gz USOVACCLTJOCIM-QGZVFWFLSA-N 1 0 358.511 3.614 50 0 FHAARO c1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3CCN3CCOCC3)cc2)nc1 ZINC000077303990 571207226 /nfs/dbraw/zinc/20/72/26/571207226.db2.gz IGAFRODUTGGJGI-QFIPXVFZSA-N 1 0 365.521 3.825 50 0 FHAARO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3cccc4ccnn43)cc1)C2 ZINC000534637783 571207272 /nfs/dbraw/zinc/20/72/72/571207272.db2.gz IEWISMOIGMIAQC-QHCPKHFHSA-N 1 0 374.488 3.559 50 0 FHAARO CC[C@H](C)Oc1ccc(C[NH+]2CCC(CNC(C)=O)CC2)cc1Cl ZINC000077342326 571208102 /nfs/dbraw/zinc/20/81/02/571208102.db2.gz XVZMBWCEJCHSPE-AWEZNQCLSA-N 1 0 352.906 3.865 50 0 FHAARO c1ccc(C[NH+]2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)cc1 ZINC000077438692 571211649 /nfs/dbraw/zinc/21/16/49/571211649.db2.gz DDNBXURKSLHOBG-UHFFFAOYSA-N 1 0 365.525 3.588 50 0 FHAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ncoc1C1CC1 ZINC000077440640 571211952 /nfs/dbraw/zinc/21/19/52/571211952.db2.gz JOXPDTKYGWAHSF-UHFFFAOYSA-N 1 0 353.466 3.536 50 0 FHAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccco2)nc1 ZINC000077453040 571212001 /nfs/dbraw/zinc/21/20/01/571212001.db2.gz JNJFBKHRPYZYFK-GOSISDBHSA-N 1 0 351.454 3.686 50 0 FHAARO CC(C)[C@@H](CNC(=O)c1ncoc1-c1cccs1)[NH+]1CCC(C)CC1 ZINC000078562076 571212154 /nfs/dbraw/zinc/21/21/54/571212154.db2.gz BOBLRSNWNNTNSW-OAHLLOKOSA-N 1 0 361.511 3.889 50 0 FHAARO COc1ncccc1C(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077457287 571212238 /nfs/dbraw/zinc/21/22/38/571212238.db2.gz VJGKDSCVCOBEKO-LJQANCHMSA-N 1 0 353.466 3.519 50 0 FHAARO Cc1[nH]c2c(cc(F)cc2F)c1CC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000077470338 571212551 /nfs/dbraw/zinc/21/25/51/571212551.db2.gz PRHXAMDMSOMNDV-OAHLLOKOSA-N 1 0 364.436 3.615 50 0 FHAARO COc1cc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)ccn1 ZINC000077540193 571215162 /nfs/dbraw/zinc/21/51/62/571215162.db2.gz UXJQPVRQZWOSTR-LJQANCHMSA-N 1 0 353.466 3.519 50 0 FHAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cc(-c2ccccc2)on1 ZINC000077541037 571215186 /nfs/dbraw/zinc/21/51/86/571215186.db2.gz VMBOHNMBVPBGKX-IBGZPJMESA-N 1 0 361.445 3.561 50 0 FHAARO CO[C@]12CC[N@H+](Cc3ccccc3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426379652 571216941 /nfs/dbraw/zinc/21/69/41/571216941.db2.gz HWNHKXJBLKLOHQ-JAXLGGSGSA-N 1 0 352.478 3.981 50 0 FHAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1cccc(C(F)(F)F)c1 ZINC000023128008 571217318 /nfs/dbraw/zinc/21/73/18/571217318.db2.gz FSRFZQVKTYSORZ-UHFFFAOYSA-N 1 0 366.383 3.940 50 0 FHAARO CO[C@]12CC[N@H+](Cc3cc(F)cc(F)c3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426427898 571224149 /nfs/dbraw/zinc/22/41/49/571224149.db2.gz HDVXXSWVCCTBPA-IRFCIJBXSA-N 1 0 374.431 3.951 50 0 FHAARO CCc1oc2c(cc(NC(=O)N3CCO[C@H](CC[NH3+])C3)cc2Cl)c1C ZINC000426474193 571227145 /nfs/dbraw/zinc/22/71/45/571227145.db2.gz HFGYIYYQNVVZCB-CYBMUJFWSA-N 1 0 365.861 3.539 50 0 FHAARO Cc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)c2cccnc12 ZINC000082087576 571227689 /nfs/dbraw/zinc/22/76/89/571227689.db2.gz DFQHWDAEAZDOBA-UHFFFAOYSA-N 1 0 372.472 3.942 50 0 FHAARO COc1ccc2ccccc2c1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000426494340 571228269 /nfs/dbraw/zinc/22/82/69/571228269.db2.gz PLGNESUZTPAPQB-GOSISDBHSA-N 1 0 367.493 3.618 50 0 FHAARO CC[C@H](NC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1)c1cccs1 ZINC000426496644 571228405 /nfs/dbraw/zinc/22/84/05/571228405.db2.gz GBTWURNLXVAOQI-KRWDZBQOSA-N 1 0 358.511 3.825 50 0 FHAARO Cc1n[nH]c(C)c1CNC(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000426530381 571230275 /nfs/dbraw/zinc/23/02/75/571230275.db2.gz GIQLRBAOBQOYHM-HXUWFJFHSA-N 1 0 369.513 3.525 50 0 FHAARO CSc1ccc(CN(C(=O)NCCC2CC[NH+](C)CC2)C2CC2)cc1 ZINC000426563203 571231905 /nfs/dbraw/zinc/23/19/05/571231905.db2.gz UVRYJZKLCHIDFT-UHFFFAOYSA-N 1 0 361.555 3.814 50 0 FHAARO Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3C[NH+]3CCCC3)cc2)nn1 ZINC000426575171 571232047 /nfs/dbraw/zinc/23/20/47/571232047.db2.gz WOVBFQSLWKGDAF-FQEVSTJZSA-N 1 0 364.493 3.543 50 0 FHAARO CC(C)C[N@@H+]1CCN(C(=O)c2ccc(-c3ccsc3)cc2)C[C@@H]1CCO ZINC000426596672 571232818 /nfs/dbraw/zinc/23/28/18/571232818.db2.gz WVEDSHJSKZZQDG-FQEVSTJZSA-N 1 0 372.534 3.580 50 0 FHAARO Cc1ncsc1CN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000426618058 571233271 /nfs/dbraw/zinc/23/32/71/571233271.db2.gz CRHXXTSDHUZYDD-SFHVURJKSA-N 1 0 372.538 3.505 50 0 FHAARO Cc1c2cc(F)ccc2n(C)c1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000085474717 571233668 /nfs/dbraw/zinc/23/36/68/571233668.db2.gz OQKYSAGQUWQZSP-UHFFFAOYSA-N 1 0 357.473 3.716 50 0 FHAARO C[N@H+](CCO)C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000426648149 571234181 /nfs/dbraw/zinc/23/41/81/571234181.db2.gz PNYBVQXPHWKXAQ-UHFFFAOYSA-N 1 0 372.896 3.536 50 0 FHAARO O=C(NCC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1)NC1CC1 ZINC000426647349 571234255 /nfs/dbraw/zinc/23/42/55/571234255.db2.gz SCFVUSAULFJUHC-UHFFFAOYSA-N 1 0 363.505 3.682 50 0 FHAARO O=C(NCCC[N@H+]1CCC[C@@H](O)C1)c1ccc(-c2ccccc2Cl)cc1 ZINC000426678208 571234821 /nfs/dbraw/zinc/23/48/21/571234821.db2.gz WGYYAADUAIOMSX-GOSISDBHSA-N 1 0 372.896 3.584 50 0 FHAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(-c3ccc(O)c(F)c3)cc2)C1 ZINC000426701810 571235838 /nfs/dbraw/zinc/23/58/38/571235838.db2.gz ZMTVGTRTSCEKLQ-OAHLLOKOSA-N 1 0 356.441 3.660 50 0 FHAARO Cc1c[nH+]ccc1N1CCCN(C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000426711963 571236215 /nfs/dbraw/zinc/23/62/15/571236215.db2.gz BUZCTGYORIAMDC-INIZCTEOSA-N 1 0 356.445 3.512 50 0 FHAARO [NH3+]CCOc1cccc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c1 ZINC000426715818 571236230 /nfs/dbraw/zinc/23/62/30/571236230.db2.gz DLSONAXVLHIHCK-HXUWFJFHSA-N 1 0 356.441 3.921 50 0 FHAARO CC1(C)C[N@@H+](C2CCN(C(=O)c3ccncc3)CC2)C[C@H]1c1ccccc1 ZINC000426740662 571236902 /nfs/dbraw/zinc/23/69/02/571236902.db2.gz XRWITJGAJPWDBP-NRFANRHFSA-N 1 0 363.505 3.812 50 0 FHAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc(C)ccc1C)C2 ZINC000091410079 571239286 /nfs/dbraw/zinc/23/92/86/571239286.db2.gz WJDRRXDXMBHHNF-RBUKOAKNSA-N 1 0 367.493 3.645 50 0 FHAARO O=C1CCC2(CC[NH+](C3CCCCCCC3)CC2)CN1CCc1c[nH]cn1 ZINC000091410917 571239396 /nfs/dbraw/zinc/23/93/96/571239396.db2.gz SAQBRJUSZAGEON-UHFFFAOYSA-N 1 0 372.557 3.770 50 0 FHAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc2cccc(F)c2n1 ZINC000091440129 571239689 /nfs/dbraw/zinc/23/96/89/571239689.db2.gz KDDANNPUXNUQDJ-OAHLLOKOSA-N 1 0 363.436 3.551 50 0 FHAARO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C)cc2)CC(C)C)cc1 ZINC000036094936 571240876 /nfs/dbraw/zinc/24/08/76/571240876.db2.gz WEBFOJRMUWILMQ-FQEVSTJZSA-N 1 0 357.494 3.902 50 0 FHAARO Cc1c(C(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)[nH]nc1-c1ccc(Cl)cc1 ZINC000091594358 571240986 /nfs/dbraw/zinc/24/09/86/571240986.db2.gz ONSWAHBUYSUHHA-CYBMUJFWSA-N 1 0 372.900 3.737 50 0 FHAARO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000091620269 571241312 /nfs/dbraw/zinc/24/13/12/571241312.db2.gz KSEHDSAERJRSMH-FUHWJXTLSA-N 1 0 350.466 3.561 50 0 FHAARO CCn1nc(C)c(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1C ZINC000091625022 571241475 /nfs/dbraw/zinc/24/14/75/571241475.db2.gz NMSVNXKHIZVALH-LEWJYISDSA-N 1 0 352.526 3.616 50 0 FHAARO Cc1ccccc1C[N@H+](C[C@H](O)COc1ccccc1C)C[C@H]1CCCO1 ZINC000036100022 571241524 /nfs/dbraw/zinc/24/15/24/571241524.db2.gz LPBYLAZOYHYLRD-FCHUYYIVSA-N 1 0 369.505 3.724 50 0 FHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cccnc3)CC2)C1 ZINC000091657318 571242059 /nfs/dbraw/zinc/24/20/59/571242059.db2.gz ALKDNTYOIKBSIQ-NRFANRHFSA-N 1 0 363.505 3.813 50 0 FHAARO O[C@H](COCc1ccco1)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104290 571242128 /nfs/dbraw/zinc/24/21/28/571242128.db2.gz RIKBEOTWXGZKDY-NRFANRHFSA-N 1 0 369.436 3.999 50 0 FHAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1C ZINC000036104701 571242482 /nfs/dbraw/zinc/24/24/82/571242482.db2.gz CMURVQSETCQOTQ-OAQYLSRUSA-N 1 0 373.468 3.841 50 0 FHAARO CCCC[NH+](CCCC)CCn1cnc2c3ccc(OC)cc3[nH]c2c1=O ZINC000006809331 571247638 /nfs/dbraw/zinc/24/76/38/571247638.db2.gz SHLGJELZWDTVLU-UHFFFAOYSA-N 1 0 370.497 3.789 50 0 FHAARO C[NH+](C)CCCNC(=S)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000006865409 571251174 /nfs/dbraw/zinc/25/11/74/571251174.db2.gz DAUUGQCAWCGXJR-HXUWFJFHSA-N 1 0 366.534 3.664 50 0 FHAARO O=C(Nc1ccccc1Br)N1CCC(C[NH+]2CCCC2)CC1 ZINC000006877278 571252117 /nfs/dbraw/zinc/25/21/17/571252117.db2.gz DSYPTPLSBMSUKW-UHFFFAOYSA-N 1 0 366.303 3.789 50 0 FHAARO COc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000036392048 571252671 /nfs/dbraw/zinc/25/26/71/571252671.db2.gz DTHQFMFYRQLPBV-GOSISDBHSA-N 1 0 366.505 3.929 50 0 FHAARO CN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1Cl ZINC000007445813 571265612 /nfs/dbraw/zinc/26/56/12/571265612.db2.gz AXEUPANKYLBBJN-UHFFFAOYSA-N 1 0 371.868 3.537 50 0 FHAARO CC(C)[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000170592268 571266208 /nfs/dbraw/zinc/26/62/08/571266208.db2.gz CYYSYESDHIKTRQ-IHPCNDPISA-N 1 0 360.542 3.995 50 0 FHAARO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2n[nH]c3c2cccc3Cl)c1 ZINC000170593841 571266273 /nfs/dbraw/zinc/26/62/73/571266273.db2.gz QJSAGYPHURWALV-NWDGAFQWSA-N 1 0 372.856 3.903 50 0 FHAARO COc1ccc(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000007492061 571266558 /nfs/dbraw/zinc/26/65/58/571266558.db2.gz MKGNXHQQTOKJOO-UHFFFAOYSA-N 1 0 372.896 3.672 50 0 FHAARO O=C1NC2(CCCCCC2)C(=O)N1CN1CCC(Cc2ccccc2)CC1 ZINC000089830373 571273562 /nfs/dbraw/zinc/27/35/62/571273562.db2.gz FKPKTEXQKIDXBM-UHFFFAOYSA-N 1 0 369.509 3.543 50 0 FHAARO CC1(C)CC(NC(=O)N2CC3(CCOCC3)c3ccccc32)CC(C)(C)[NH2+]1 ZINC000252485549 571280423 /nfs/dbraw/zinc/28/04/23/571280423.db2.gz GYPCEMWPRIQTMY-UHFFFAOYSA-N 1 0 371.525 3.574 50 0 FHAARO C[C@H]1[C@H]([NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)C[C@@H]1c1ccccc1 ZINC000252487008 571280525 /nfs/dbraw/zinc/28/05/25/571280525.db2.gz RFXOPPJGKVXIGQ-SGLNWRHMSA-N 1 0 351.494 3.589 50 0 FHAARO CCC[NH+]1CCC(CNC(=O)c2cnn(CCC(C)C)c2C(C)C)CC1 ZINC000252508854 571281422 /nfs/dbraw/zinc/28/14/22/571281422.db2.gz XVWHWMADQDZULD-UHFFFAOYSA-N 1 0 362.562 3.904 50 0 FHAARO CC[C@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1CCSc1ccccc1 ZINC000252549762 571283453 /nfs/dbraw/zinc/28/34/53/571283453.db2.gz RUYPNIUJCUDEDR-ROUUACIJSA-N 1 0 350.572 3.724 50 0 FHAARO CC1(C)CC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000007616272 571284262 /nfs/dbraw/zinc/28/42/62/571284262.db2.gz YHAVHOWKXPUEAV-UHFFFAOYSA-N 1 0 365.326 3.581 50 0 FHAARO COc1ccc2oc(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)c(C)c2c1 ZINC000007683560 571285753 /nfs/dbraw/zinc/28/57/53/571285753.db2.gz QGQWGDGJBLYRFD-QGZVFWFLSA-N 1 0 366.461 3.653 50 0 FHAARO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000252678287 571292516 /nfs/dbraw/zinc/29/25/16/571292516.db2.gz DCVHEURVXSDGDC-ICSRJNTNSA-N 1 0 368.525 3.747 50 0 FHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(F)cc1 ZINC000002843488 571292696 /nfs/dbraw/zinc/29/26/96/571292696.db2.gz RRHGGMIRXYVNGO-UHFFFAOYSA-N 1 0 354.429 3.770 50 0 FHAARO CC(C)c1cc(CNC(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)no1 ZINC000584892032 571314665 /nfs/dbraw/zinc/31/46/65/571314665.db2.gz FSAFQTWFYQYOON-UHFFFAOYSA-N 1 0 370.497 3.735 50 0 FHAARO CN(Cc1cccc2cnccc21)C(=O)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000584899348 571315949 /nfs/dbraw/zinc/31/59/49/571315949.db2.gz GWXMQXVMUQZQET-KRWDZBQOSA-N 1 0 366.509 3.641 50 0 FHAARO CCOc1ccc(NC(=O)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)cc1 ZINC000037868665 571322828 /nfs/dbraw/zinc/32/28/28/571322828.db2.gz VWGICUWYALNOJQ-INIZCTEOSA-N 1 0 356.470 3.637 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000007960765 571325879 /nfs/dbraw/zinc/32/58/79/571325879.db2.gz KGASUGDVMKMWAM-MRXNPFEDSA-N 1 0 368.506 3.610 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 ZINC000079112589 571327044 /nfs/dbraw/zinc/32/70/44/571327044.db2.gz KEPDKKDOQUGCNF-QGZVFWFLSA-N 1 0 359.857 3.953 50 0 FHAARO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H](CO)CC[C@@H]1C ZINC000093738016 571327189 /nfs/dbraw/zinc/32/71/89/571327189.db2.gz SMNCJFKVMSDQAT-KSSFIOAISA-N 1 0 361.917 3.794 50 0 FHAARO Cc1cc(C)c2[nH]c(C)c(C[NH+]3CCN(c4ccccc4)CC3)c(=O)c2c1 ZINC000019793692 571327301 /nfs/dbraw/zinc/32/73/01/571327301.db2.gz BEVCRDPNHOIONG-UHFFFAOYSA-N 1 0 361.489 3.776 50 0 FHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccsc2)C[C@H]1c1cccc(F)c1 ZINC000095115880 571328688 /nfs/dbraw/zinc/32/86/88/571328688.db2.gz LZWIJVREIPKQQE-SFHVURJKSA-N 1 0 359.470 3.907 50 0 FHAARO Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1Br ZINC000095406045 571329356 /nfs/dbraw/zinc/32/93/56/571329356.db2.gz KNIOVEVCQOEOIV-CQSZACIVSA-N 1 0 366.303 3.707 50 0 FHAARO c1ccc(C[N@@H+]2CCCN(c3nc(-c4ccccc4)ns3)CC2)cc1 ZINC000095401989 571329360 /nfs/dbraw/zinc/32/93/60/571329360.db2.gz MCZCHGFEFABWJG-UHFFFAOYSA-N 1 0 350.491 3.917 50 0 FHAARO COC[C@@H]([NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)C1CC1 ZINC000095432522 571329617 /nfs/dbraw/zinc/32/96/17/571329617.db2.gz WMMLBNKOSFQWRJ-TZIWHRDSSA-N 1 0 368.477 3.698 50 0 FHAARO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Br)cc1Cl ZINC000095451382 571329892 /nfs/dbraw/zinc/32/98/92/571329892.db2.gz HTBQWXPQHYOEGZ-NSHDSACASA-N 1 0 373.722 3.905 50 0 FHAARO CCC[C@H]1CN(C(=O)c2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000095463176 571330336 /nfs/dbraw/zinc/33/03/36/571330336.db2.gz FVRXMESLSUEWDB-SFHVURJKSA-N 1 0 357.885 3.862 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc2cc[nH]c2c1 ZINC000095479305 571330978 /nfs/dbraw/zinc/33/09/78/571330978.db2.gz DPMQUNMVGOKPBJ-UHFFFAOYSA-N 1 0 351.425 3.701 50 0 FHAARO COc1ccc(C2(C[NH2+][C@H]3CCN(C(C)=O)Cc4ccccc43)CC2)cc1 ZINC000095995729 571333630 /nfs/dbraw/zinc/33/36/30/571333630.db2.gz RCKPVUZUFKPCHP-QFIPXVFZSA-N 1 0 364.489 3.810 50 0 FHAARO Brc1ccccc1OCC[NH2+]CCCOc1ccccc1 ZINC000096027014 571334107 /nfs/dbraw/zinc/33/41/07/571334107.db2.gz KLMRVMJVEVKTTE-UHFFFAOYSA-N 1 0 350.256 3.887 50 0 FHAARO C[NH+](C)CCCCOc1ccc(-c2ccc(Br)cc2)nn1 ZINC000096027994 571334174 /nfs/dbraw/zinc/33/41/74/571334174.db2.gz RTKOSLQPCRINIL-UHFFFAOYSA-N 1 0 350.260 3.627 50 0 FHAARO COc1ccc2cc(C(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@H]34)n(C)c2c1 ZINC000299754410 571338462 /nfs/dbraw/zinc/33/84/62/571338462.db2.gz KNAYXGKHAXKSAB-IEBWSBKVSA-N 1 0 369.509 3.523 50 0 FHAARO FC(F)(F)c1cccc(-c2noc(CN3CCO[C@@H]4CCCC[C@H]43)n2)c1 ZINC000230136028 571344251 /nfs/dbraw/zinc/34/42/51/571344251.db2.gz HJGPLAFDKLXFQW-HUUCEWRRSA-N 1 0 367.371 3.899 50 0 FHAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)C[C@@H]3CCCO3)CC2)cc1C ZINC000003058251 571344405 /nfs/dbraw/zinc/34/44/05/571344405.db2.gz ZRGBARZITUOYIE-IBGZPJMESA-N 1 0 361.555 3.575 50 0 FHAARO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2F)[NH+](C)C)cc1 ZINC000030020085 571344859 /nfs/dbraw/zinc/34/48/59/571344859.db2.gz RXKUFLLFMNJZTQ-QGZVFWFLSA-N 1 0 350.821 3.520 50 0 FHAARO O[C@]1(c2ccc(Cl)cc2)C[N+](CCc2ccccc2)=C2SCCCN21 ZINC000003227385 571345725 /nfs/dbraw/zinc/34/57/25/571345725.db2.gz MLNPUTPUCHBEEC-FQEVSTJZSA-N 1 0 373.929 3.549 50 0 FHAARO C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2s1)c1ccccc1 ZINC000003304476 571346995 /nfs/dbraw/zinc/34/69/95/571346995.db2.gz ZSKYNVFMVUNZBL-QGZVFWFLSA-N 1 0 353.491 3.648 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000003310034 571347021 /nfs/dbraw/zinc/34/70/21/571347021.db2.gz WHWQLYTWLXBJBU-IBGZPJMESA-N 1 0 365.502 3.772 50 0 FHAARO O=C(COc1ccc2ccccc2c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000003324617 571347450 /nfs/dbraw/zinc/34/74/50/571347450.db2.gz LYQOBJVZSKNJTL-HXUWFJFHSA-N 1 0 364.445 3.765 50 0 FHAARO O=C(Cc1c[nH]c2ccccc12)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000003350780 571348180 /nfs/dbraw/zinc/34/81/80/571348180.db2.gz ILZBAKFTSAYGOT-IBGZPJMESA-N 1 0 351.450 3.647 50 0 FHAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000031029613 571350398 /nfs/dbraw/zinc/35/03/98/571350398.db2.gz REWKZCAHKRGJIS-UHFFFAOYSA-N 1 0 355.457 3.552 50 0 FHAARO CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)C1 ZINC000670453424 571352999 /nfs/dbraw/zinc/35/29/99/571352999.db2.gz BSEJEJCGJIVHSZ-NRFANRHFSA-N 1 0 363.505 3.811 50 0 FHAARO COc1ccc([C@]2(CC[NH2+]C3CCN(C)CC3)CCOC(C)(C)C2)cc1 ZINC000031819149 571353895 /nfs/dbraw/zinc/35/38/95/571353895.db2.gz YFWZPSFRPAVUEZ-JOCHJYFZSA-N 1 0 360.542 3.596 50 0 FHAARO COc1cccc(/C=C/C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1OC ZINC000004028966 571354260 /nfs/dbraw/zinc/35/42/60/571354260.db2.gz AMTPWEOSAFWDMM-AAIOHFERSA-N 1 0 359.466 3.525 50 0 biogenic FHAARO Cc1ccc([C@]2(CC(=O)NCCC[NH+](C)C)CCO[C@H](C(C)C)C2)cc1 ZINC000004084543 571354913 /nfs/dbraw/zinc/35/49/13/571354913.db2.gz VPRGUMSCKKEJOK-RBBKRZOGSA-N 1 0 360.542 3.526 50 0 biogenic FHAARO CC1(C)CC(NCc2cc(Cl)c3c(c2)OCCCO3)CC(C)(C)[NH2+]1 ZINC000007984384 571358033 /nfs/dbraw/zinc/35/80/33/571358033.db2.gz FUMBMTYCNLEWBB-UHFFFAOYSA-N 1 0 352.906 3.900 50 0 FHAARO c1ccc(-c2nc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc3ccccc32)cc1 ZINC000012803704 721908465 /nfs/dbraw/zinc/90/84/65/721908465.db2.gz WZJYJKCGVZHAEQ-LJQANCHMSA-N 1 0 374.488 3.598 50 0 FHAARO COCc1cc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)ccc1OC ZINC000022852897 934995928 /nfs/dbraw/zinc/99/59/28/934995928.db2.gz JQJVJTOIBSYOBB-JOCHJYFZSA-N 1 0 368.521 3.938 50 0 FHAARO OCc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)o1 ZINC000023478828 935630367 /nfs/dbraw/zinc/63/03/67/935630367.db2.gz WDJLWZMAGWSJFR-HNNXBMFYSA-N 1 0 355.413 3.681 50 0 FHAARO Clc1cc(Cl)cc(CC[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000194479304 935972153 /nfs/dbraw/zinc/97/21/53/935972153.db2.gz BZWXLYSTZHOHFM-UHFFFAOYSA-N 1 0 351.281 3.538 50 0 FHAARO Cc1cc(C)n([C@H](C)C[NH2+]C2CCN(c3cc(C(C)C)nc(C)n3)CC2)n1 ZINC000096152901 939202191 /nfs/dbraw/zinc/20/21/91/939202191.db2.gz PTQHGOINNPRFJV-QGZVFWFLSA-N 1 0 370.545 3.541 50 0 FHAARO Cc1c[nH+]c(C2CCOCC2)n1C[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000581807708 940608467 /nfs/dbraw/zinc/60/84/67/940608467.db2.gz QPTBROREMQUULR-KRWDZBQOSA-N 1 0 359.514 3.514 50 0 FHAARO COCCn1c(C)cnc1C[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000581816345 940620922 /nfs/dbraw/zinc/62/09/22/940620922.db2.gz UQHITFVZLVLDMV-HXUWFJFHSA-N 1 0 355.526 3.909 50 0 FHAARO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H]3C(C)(C)O)cs2)c1OC ZINC000136251688 942019319 /nfs/dbraw/zinc/01/93/19/942019319.db2.gz XYWCLUSHEINZOS-INIZCTEOSA-N 1 0 362.495 3.563 50 0 FHAARO Cc1c(C[N@@H+]2CC3(C[C@H]2COc2ccncc2)CCCCC3)cnn1C ZINC000257191924 942654283 /nfs/dbraw/zinc/65/42/83/942654283.db2.gz RTOLAVFGBWABSO-IBGZPJMESA-N 1 0 354.498 3.727 50 0 FHAARO O=C(c1ccccc1F)N1CCC2(CC1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000257194795 942688618 /nfs/dbraw/zinc/68/86/18/942688618.db2.gz URTQXAMIPUQJBR-UHFFFAOYSA-N 1 0 363.436 3.584 50 0 FHAARO COc1cc(C[NH+]2CCC3(CC2)CCC(=O)N(C)CC3)ccc1OC(C)C ZINC000257196193 942701463 /nfs/dbraw/zinc/70/14/63/942701463.db2.gz XTUKKPGMMFWLSI-UHFFFAOYSA-N 1 0 374.525 3.707 50 0 FHAARO CCc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](Oc4ccccn4)C[C@H]23)nc1 ZINC000426505924 945011888 /nfs/dbraw/zinc/01/18/88/945011888.db2.gz VMZAWDIUCREIQS-RZUBCFFCSA-N 1 0 367.493 3.630 50 0 FHAARO CCn1cc([C@@H]2OCC[C@H]2C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cn1 ZINC000888102104 948452764 /nfs/dbraw/zinc/45/27/64/948452764.db2.gz AVCIMFGOACHSQY-HRAATJIYSA-N 1 0 372.488 3.696 50 0 FHAARO CCc1nc(C)sc1C(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000299759818 529730469 /nfs/dbraw/zinc/73/04/69/529730469.db2.gz NNQUHYZAYZCRRL-MRXNPFEDSA-N 1 0 357.523 3.542 50 0 FHAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH+]2CCCCCC2)C(=O)CCC1 ZINC000000795441 219322397 /nfs/dbraw/zinc/32/23/97/219322397.db2.gz ADZCLZQTBSDIOA-KRWDZBQOSA-N 1 0 354.494 3.706 50 0 FHAARO COc1cc(C[NH2+]Cc2cc(Br)ccc2OC)cc(OC)c1 ZINC000000851037 219331059 /nfs/dbraw/zinc/33/10/59/219331059.db2.gz JPCVTGYEZXZDQA-UHFFFAOYSA-N 1 0 366.255 3.765 50 0 FHAARO CCC[NH+](CCC)CCNC(=O)c1cc2c(s1)c1ccccc1oc2=O ZINC000002456022 219445211 /nfs/dbraw/zinc/44/52/11/219445211.db2.gz LIWDYAZCTKQQBJ-UHFFFAOYSA-N 1 0 372.490 3.860 50 0 FHAARO COc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000002966333 219477919 /nfs/dbraw/zinc/47/79/19/219477919.db2.gz KXRYQJKFKJZVPE-FQEVSTJZSA-N 1 0 357.861 3.609 50 0 FHAARO Cc1ccc(C(=O)N[C@H](NC(=[NH2+])C(C)C)C(Cl)(Cl)Cl)cc1 ZINC000003109678 219486477 /nfs/dbraw/zinc/48/64/77/219486477.db2.gz GLQNVUTUMDVGCV-ZDUSSCGKSA-N 1 0 350.677 3.644 50 0 FHAARO COc1ccc([N+]2=C3CCCCN3[C@H](C)[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000003092954 219487013 /nfs/dbraw/zinc/48/70/13/219487013.db2.gz GAIBYRYSJVLECI-QVKFZJNVSA-N 1 0 371.888 3.997 50 0 FHAARO CCCc1nc(C)c(CNc2cc([C@H]3C[C@H]([NH3+])C3)nc(C3CC3)n2)s1 ZINC000244883989 222943334 /nfs/dbraw/zinc/94/33/34/222943334.db2.gz YDENUNQIWQJNIF-HDJSIYSDSA-N 1 0 357.527 3.888 50 0 FHAARO CCOCCC[NH2+]Cc1nn(Cc2ccccc2C)nc1-c1ccccc1 ZINC000248177857 222965519 /nfs/dbraw/zinc/96/55/19/222965519.db2.gz ZWZPKNQDFIVFFR-UHFFFAOYSA-N 1 0 364.493 3.818 50 0 FHAARO COc1ccc([C@H](CNC(=O)Cc2ccsc2)[NH+]2CCCCC2)cc1 ZINC000005937455 219705524 /nfs/dbraw/zinc/70/55/24/219705524.db2.gz YRXXOSIWTBDQMJ-IBGZPJMESA-N 1 0 358.507 3.643 50 0 FHAARO CSc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1 ZINC000006767735 219768430 /nfs/dbraw/zinc/76/84/30/219768430.db2.gz FOKKQJQMHOBXAC-UHFFFAOYSA-N 1 0 371.535 3.656 50 0 FHAARO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(OC)c1 ZINC000007447654 219806422 /nfs/dbraw/zinc/80/64/22/219806422.db2.gz GPTWLWNGVFHXEV-UHFFFAOYSA-N 1 0 368.477 3.620 50 0 FHAARO O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000299771863 223088865 /nfs/dbraw/zinc/08/88/65/223088865.db2.gz WQQOOLGVXPUJGU-GOSISDBHSA-N 1 0 354.454 3.824 50 0 FHAARO O=C(NCc1c(F)cccc1F)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299772944 223088904 /nfs/dbraw/zinc/08/89/04/223088904.db2.gz BJMBFUSPCDSJMU-BEVDRBHNSA-N 1 0 356.416 3.807 50 0 FHAARO CCn1cncc1CNC(=O)Nc1cccc(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000299787207 223096246 /nfs/dbraw/zinc/09/62/46/223096246.db2.gz SBYNOWAYUGEQLD-MRXNPFEDSA-N 1 0 355.486 3.599 50 0 FHAARO Cc1ccc2[nH]c(C(=O)N3CCC[C@@H]3c3ccc(C[NH+](C)C)cc3)nc2c1 ZINC000299801141 223104644 /nfs/dbraw/zinc/10/46/44/223104644.db2.gz UZVRFQRTHQXHMK-HXUWFJFHSA-N 1 0 362.477 3.910 50 0 FHAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000299791160 223098700 /nfs/dbraw/zinc/09/87/00/223098700.db2.gz CKJHPYYFLIKIDF-UHFFFAOYSA-N 1 0 367.497 3.949 50 0 FHAARO CCc1oc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)cc1C[NH+]1CCCC1 ZINC000299794398 223100260 /nfs/dbraw/zinc/10/02/60/223100260.db2.gz KMQSNNVAVVEOAB-SFHVURJKSA-N 1 0 368.477 3.514 50 0 FHAARO COc1ccc(CC2(CO)CC[NH+](Cc3cccc(C(C)=O)c3)CC2)cc1 ZINC000011663092 219925352 /nfs/dbraw/zinc/92/53/52/219925352.db2.gz JSACMCUEDPOFND-UHFFFAOYSA-N 1 0 367.489 3.715 50 0 FHAARO Cn1cccc1[C@H](CNC(=O)c1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000011845609 219937073 /nfs/dbraw/zinc/93/70/73/219937073.db2.gz MWXMQYRKURBNDI-KRWDZBQOSA-N 1 0 365.399 3.611 50 0 FHAARO CCC(CC)C[NH+]1CCC2(C[C@H]2C(=O)NCCc2ccccc2OC)CC1 ZINC000012204780 219967465 /nfs/dbraw/zinc/96/74/65/219967465.db2.gz CLNFNSBDLGUHOM-FQEVSTJZSA-N 1 0 372.553 3.892 50 0 FHAARO CC(C)(C)CN1CCC[C@]2(CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1=O ZINC000012306116 219977867 /nfs/dbraw/zinc/97/78/67/219977867.db2.gz SFMQFHNCSYCRDI-OAQYLSRUSA-N 1 0 370.497 3.530 50 0 FHAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](CC(C)C)CC3)cc2)n1 ZINC000012579949 220009804 /nfs/dbraw/zinc/00/98/04/220009804.db2.gz DPZOZIPWCNAPAQ-UHFFFAOYSA-N 1 0 354.498 3.796 50 0 FHAARO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](C2CSCCSC2)C1 ZINC000012715124 220020716 /nfs/dbraw/zinc/02/07/16/220020716.db2.gz QQAKFDGHUFXYDK-SFHVURJKSA-N 1 0 371.999 3.806 50 0 FHAARO COc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1F ZINC000012713082 220021089 /nfs/dbraw/zinc/02/10/89/220021089.db2.gz IZRVLKZXZWPIRH-SFHVURJKSA-N 1 0 356.441 3.571 50 0 FHAARO CN(c1ncccc1C[NH2+]Cc1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000012718858 220021571 /nfs/dbraw/zinc/02/15/71/220021571.db2.gz MPANLIFDMKNJFQ-UHFFFAOYSA-N 1 0 367.493 3.912 50 0 FHAARO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(OC)ccc3OC)C2)c1 ZINC000012704259 220018011 /nfs/dbraw/zinc/01/80/11/220018011.db2.gz MTAUFLPPZMGAAG-KRWDZBQOSA-N 1 0 369.461 3.807 50 0 FHAARO CN(C(=O)CCC(F)(F)F)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012707238 220019694 /nfs/dbraw/zinc/01/96/94/220019694.db2.gz DCNPCQKWWMKOJC-QGZVFWFLSA-N 1 0 356.432 3.885 50 0 FHAARO CC[NH+]1CCC(N(C)S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)CC1 ZINC000012771963 220028538 /nfs/dbraw/zinc/02/85/38/220028538.db2.gz OAEQNRQOFVLLRH-UHFFFAOYSA-N 1 0 366.571 3.706 50 0 FHAARO C[C@@H](Nc1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cn1)C1CC1 ZINC000012760140 220025518 /nfs/dbraw/zinc/02/55/18/220025518.db2.gz UGTPMFUEBXAPQY-QGZVFWFLSA-N 1 0 370.541 3.773 50 0 FHAARO C[C@H](Nc1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cn1)C1CC1 ZINC000012760145 220026140 /nfs/dbraw/zinc/02/61/40/220026140.db2.gz UGTPMFUEBXAPQY-KRWDZBQOSA-N 1 0 370.541 3.773 50 0 FHAARO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012781764 220029377 /nfs/dbraw/zinc/02/93/77/220029377.db2.gz GVXYZJRGROXQAZ-ZWKOTPCHSA-N 1 0 365.477 3.673 50 0 FHAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000012799846 220031374 /nfs/dbraw/zinc/03/13/74/220031374.db2.gz TWDVGQPLPDRWFO-UHFFFAOYSA-N 1 0 367.493 3.642 50 0 FHAARO CC(=O)Nc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000012886605 220038396 /nfs/dbraw/zinc/03/83/96/220038396.db2.gz RJDRZHWKSPXJPB-UHFFFAOYSA-N 1 0 365.477 3.561 50 0 FHAARO COc1cccc([C@H](CNC(=O)Nc2cccc(C)c2)[NH+]2CCCC2)c1 ZINC000012926796 220043774 /nfs/dbraw/zinc/04/37/74/220043774.db2.gz KUPRKEIFCRJRIC-FQEVSTJZSA-N 1 0 353.466 3.962 50 0 FHAARO COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1F)[NH+]1CCCC1 ZINC000012973531 220047616 /nfs/dbraw/zinc/04/76/16/220047616.db2.gz RAKZRYXNDZJVPD-GOSISDBHSA-N 1 0 357.429 3.793 50 0 FHAARO COc1cccc([C@@H](CNC(=O)Nc2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000012978612 220048527 /nfs/dbraw/zinc/04/85/27/220048527.db2.gz QQONMSJQNJOHTJ-HXUWFJFHSA-N 1 0 353.466 3.962 50 0 FHAARO C[NH+](C)[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)c1cccs1 ZINC000013096423 220057044 /nfs/dbraw/zinc/05/70/44/220057044.db2.gz YUSVSQKKWDYTJS-HNNXBMFYSA-N 1 0 374.897 3.662 50 0 FHAARO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cn1c2ccccc2nc1CO ZINC000013062729 220056086 /nfs/dbraw/zinc/05/60/86/220056086.db2.gz HDLIOHGJTYPSLC-UHFFFAOYSA-N 1 0 350.249 3.925 50 0 FHAARO COc1ccc([C@H](CNC(=S)NC2CCCCC2)[NH+]2CCCC2)cc1 ZINC000013042398 220056461 /nfs/dbraw/zinc/05/64/61/220056461.db2.gz VCJVQENYTPFXDN-IBGZPJMESA-N 1 0 361.555 3.629 50 0 FHAARO CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000013326231 220063370 /nfs/dbraw/zinc/06/33/70/220063370.db2.gz ZBXKANLVCRFTRZ-QGZVFWFLSA-N 1 0 352.906 3.795 50 0 FHAARO Cc1ccc(O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013329729 220064736 /nfs/dbraw/zinc/06/47/36/220064736.db2.gz GPBDLOVCHBHXKL-SFHVURJKSA-N 1 0 352.478 3.543 50 0 FHAARO O=C(c1cccc(Br)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000013745279 220092633 /nfs/dbraw/zinc/09/26/33/220092633.db2.gz KQBOZTBYWDYEDC-UHFFFAOYSA-N 1 0 351.288 3.540 50 0 FHAARO O=C(CCc1nc2ccccc2s1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014085470 220105612 /nfs/dbraw/zinc/10/56/12/220105612.db2.gz RYCAPUIZQNMDFN-QGZVFWFLSA-N 1 0 365.502 3.620 50 0 FHAARO Brc1ccc(OCCSC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000014196657 220115893 /nfs/dbraw/zinc/11/58/93/220115893.db2.gz PPILQTAUVKFEMP-KBPBESRZSA-N 1 0 355.301 3.832 50 0 FHAARO CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](CC(C)C)C1 ZINC000014540610 220125818 /nfs/dbraw/zinc/12/58/18/220125818.db2.gz RFNNUDDPCRGARU-ZWKOTPCHSA-N 1 0 364.505 3.571 50 0 FHAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1ccccc1F ZINC000014887872 220135060 /nfs/dbraw/zinc/13/50/60/220135060.db2.gz FSYZHJLUTXMFNO-GOSISDBHSA-N 1 0 374.431 3.515 50 0 FHAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccccc1 ZINC000014745791 220132892 /nfs/dbraw/zinc/13/28/92/220132892.db2.gz XVESWIHSMFIITB-GOSISDBHSA-N 1 0 371.525 3.535 50 0 FHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000015062135 220143172 /nfs/dbraw/zinc/14/31/72/220143172.db2.gz KHXGVUKEQSRSKG-QGZVFWFLSA-N 1 0 362.477 3.513 50 0 FHAARO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000014977226 220138568 /nfs/dbraw/zinc/13/85/68/220138568.db2.gz RVEHPAYRAHBUDY-GOSISDBHSA-N 1 0 373.880 3.806 50 0 FHAARO C/C=C(\C)C[NH+]1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000014980547 220138731 /nfs/dbraw/zinc/13/87/31/220138731.db2.gz VEDVFWXESWZMRY-AYSLTRBKSA-N 1 0 368.481 3.747 50 0 FHAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CC[N@H+](CC1CCCC1)C2 ZINC000014980767 220139132 /nfs/dbraw/zinc/13/91/32/220139132.db2.gz KJGQNVJNBHDEIC-OAQYLSRUSA-N 1 0 362.464 3.970 50 0 FHAARO CSC[C@H](C)[NH+]1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 ZINC000015068378 220144191 /nfs/dbraw/zinc/14/41/91/220144191.db2.gz CCAPTAHOAZLLKE-INIZCTEOSA-N 1 0 372.538 3.832 50 0 FHAARO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)[nH]n2)c(C)c1 ZINC000015679370 220161003 /nfs/dbraw/zinc/16/10/03/220161003.db2.gz LUUINBWUXVAORF-UHFFFAOYSA-N 1 0 366.509 3.784 50 0 FHAARO CCCC[N@H+](CC)CCNc1nc(C)nc2oc(C)c(C(=O)OCC)c21 ZINC000015727402 220161504 /nfs/dbraw/zinc/16/15/04/220161504.db2.gz GRXSBDAEHQEGBQ-UHFFFAOYSA-N 1 0 362.474 3.550 50 0 FHAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[N@@H+]3CCCC[C@@H]3C)c21 ZINC000015727457 220161651 /nfs/dbraw/zinc/16/16/51/220161651.db2.gz CZKMMOBJTCKNRP-ZDUSSCGKSA-N 1 0 374.485 3.693 50 0 FHAARO CCOC(=O)c1c(C)oc2ncnc(NCCC[N@@H+]3CCCC[C@@H]3CC)c21 ZINC000015727189 220161686 /nfs/dbraw/zinc/16/16/86/220161686.db2.gz UYPINSMGJIBCNQ-HNNXBMFYSA-N 1 0 374.485 3.774 50 0 FHAARO CC(C)[N@H+](CCCNC(=O)N[C@@H]1COc2ccccc2C1)C1CCCCC1 ZINC000015787324 220165691 /nfs/dbraw/zinc/16/56/91/220165691.db2.gz XEPDFGXUUMLJDB-IBGZPJMESA-N 1 0 373.541 3.723 50 0 FHAARO COc1ccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1Cl ZINC000015860477 220168450 /nfs/dbraw/zinc/16/84/50/220168450.db2.gz IGTJUWVMFRFAOO-MRXNPFEDSA-N 1 0 362.857 3.817 50 0 FHAARO COc1cccc(NC(=O)N2CCC(C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000015830980 220166475 /nfs/dbraw/zinc/16/64/75/220166475.db2.gz LRYRVFZWWJUOHC-IAGOWNOFSA-N 1 0 359.514 3.917 50 0 FHAARO COc1ccc(CC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCC(C)CC2)cc1 ZINC000015860325 220168802 /nfs/dbraw/zinc/16/88/02/220168802.db2.gz VQRBEZIIHZGSQS-HXUWFJFHSA-N 1 0 370.493 3.729 50 0 FHAARO OC[C@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)C1 ZINC000016046982 220176113 /nfs/dbraw/zinc/17/61/13/220176113.db2.gz NPQVTGVRQDCXKS-ORAYPTAESA-N 1 0 363.454 3.699 50 0 FHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000016622742 220189222 /nfs/dbraw/zinc/18/92/22/220189222.db2.gz FKLYHJXQTTYKBH-UHFFFAOYSA-N 1 0 369.484 3.846 50 0 FHAARO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCCc2ccccc21 ZINC000016342730 220182894 /nfs/dbraw/zinc/18/28/94/220182894.db2.gz ZXEAYQDTBIIKTN-IBGZPJMESA-N 1 0 366.461 3.796 50 0 FHAARO O=C(NCC1CC[NH+](CCc2ccc(F)cc2)CC1)Nc1ccccc1 ZINC000016622383 220188686 /nfs/dbraw/zinc/18/86/86/220188686.db2.gz DIUWXMPGQUBJRI-UHFFFAOYSA-N 1 0 355.457 3.902 50 0 FHAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000016623038 220188697 /nfs/dbraw/zinc/18/86/97/220188697.db2.gz IYAAQLHUZCUIIR-UHFFFAOYSA-N 1 0 359.420 3.999 50 0 FHAARO C[N@H+](CC(=O)NCCSc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000016694376 220190801 /nfs/dbraw/zinc/19/08/01/220190801.db2.gz MEWHCRUJVVKIFH-HXUWFJFHSA-N 1 0 354.519 3.904 50 0 FHAARO C[N@H+](CC(=O)NCCSc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000016694379 220191493 /nfs/dbraw/zinc/19/14/93/220191493.db2.gz MEWHCRUJVVKIFH-FQEVSTJZSA-N 1 0 354.519 3.904 50 0 FHAARO CC(C)C[N@@H+]1CCN(CC(c2ccccc2)c2ccccc2)C[C@@H]1CCO ZINC000019220845 220240681 /nfs/dbraw/zinc/24/06/81/220240681.db2.gz NOSDIDBCQSZZSG-QHCPKHFHSA-N 1 0 366.549 3.843 50 0 FHAARO CCCc1ncc(C[NH2+][C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cn1 ZINC000019225368 220241863 /nfs/dbraw/zinc/24/18/63/220241863.db2.gz ZUXMLVPDUQGOPO-LJQANCHMSA-N 1 0 358.917 3.837 50 0 FHAARO Cc1ccn(CC[NH+]2CCC(Oc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000019218556 220242022 /nfs/dbraw/zinc/24/20/22/220242022.db2.gz LYOUAQAYVNQOSX-UHFFFAOYSA-N 1 0 353.388 3.754 50 0 FHAARO c1ccc(COc2cccc(C[N@@H+]3CCC[C@@H](N4CCOCC4)C3)c2)cc1 ZINC000019228064 220241295 /nfs/dbraw/zinc/24/12/95/220241295.db2.gz NWLGDFCTJBQHGK-JOCHJYFZSA-N 1 0 366.505 3.562 50 0 FHAARO OC1(c2cccnc2)CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000019330870 220251255 /nfs/dbraw/zinc/25/12/55/220251255.db2.gz MKYVCBVFEICRGS-UHFFFAOYSA-N 1 0 352.478 3.887 50 0 FHAARO CC1CCN([C@@H](C[NH2+]C[C@@H](O)COc2ccccc2)c2cccs2)CC1 ZINC000019363902 220253845 /nfs/dbraw/zinc/25/38/45/220253845.db2.gz XVMDYZMIUIBHTN-QUCCMNQESA-N 1 0 374.550 3.551 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNCc1cccc(OC)c1OCc1ccccc1 ZINC000019366920 220254078 /nfs/dbraw/zinc/25/40/78/220254078.db2.gz LSRXTNQSOBHIPY-HXUWFJFHSA-N 1 0 354.494 3.848 50 0 FHAARO COc1ccc(OC)c(CN2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000019537196 220268633 /nfs/dbraw/zinc/26/86/33/220268633.db2.gz VXXIYMIJVVVRCE-RMKNXTFCSA-N 1 0 352.478 3.535 50 0 FHAARO Cc1ccc(-c2cn3c4ccccc4nc3n2CCC[NH+]2CCOCC2)cc1 ZINC000019706437 220288560 /nfs/dbraw/zinc/28/85/60/220288560.db2.gz QCSCIHAGYMIODR-UHFFFAOYSA-N 1 0 374.488 3.987 50 0 FHAARO CCOC(=O)c1c(C[NH+](CC)CC)oc2cc(Br)c(O)cc21 ZINC000019857058 220301883 /nfs/dbraw/zinc/30/18/83/220301883.db2.gz YRBZKPKZJNRCEW-UHFFFAOYSA-N 1 0 370.243 3.919 50 0 aggregator FHAARO Cc1ncc2c(c1-c1noc(-c3ccc([C@H]4CCCO4)s3)n1)CC[NH2+]C2 ZINC000019868099 220303890 /nfs/dbraw/zinc/30/38/90/220303890.db2.gz ZIHRCJZGDBQGEO-CQSZACIVSA-N 1 0 368.462 3.666 50 0 FHAARO O=C(c1cc2ccc3cccnc3c2[nH]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020575455 220335423 /nfs/dbraw/zinc/33/54/23/220335423.db2.gz LMDWWZSGBRSZKX-UHFFFAOYSA-N 1 0 362.477 3.807 50 0 FHAARO CCCOc1c(C[NH2+]CCCOCC)cc(Br)cc1OC ZINC000020934178 220345459 /nfs/dbraw/zinc/34/54/59/220345459.db2.gz OYJPJJIDBPZNGW-UHFFFAOYSA-N 1 0 360.292 3.763 50 0 FHAARO CC(C)CCCN1CC[C@@H](N2CC[NH+](C3CCCCC3)CC2)CCC1=O ZINC000020999758 220347315 /nfs/dbraw/zinc/34/73/15/220347315.db2.gz VPJOODYMLMVMPB-NRFANRHFSA-N 1 0 363.590 3.754 50 0 FHAARO CCCc1ccc([C@H](C)NC(=O)CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022751830 220397165 /nfs/dbraw/zinc/39/71/65/220397165.db2.gz ZMLAQWTZUASEHE-IBGZPJMESA-N 1 0 371.569 3.767 50 0 FHAARO O=c1oc2ccccc2n1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022775578 220398711 /nfs/dbraw/zinc/39/87/11/220398711.db2.gz WQOKOQSLVSCGLU-UHFFFAOYSA-N 1 0 373.456 3.523 50 0 FHAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000022800212 220399121 /nfs/dbraw/zinc/39/91/21/220399121.db2.gz MWXLFVMZSCMTSG-IEBWSBKVSA-N 1 0 355.482 3.814 50 0 FHAARO Cc1[nH]c2ccccc2c1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000023249351 220421339 /nfs/dbraw/zinc/42/13/39/220421339.db2.gz MVTGEXZDOROFHF-IBGZPJMESA-N 1 0 355.507 3.701 50 0 FHAARO CC(C)C[N@@H+]1CC[C@@H](CN(C)Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000023338544 220422980 /nfs/dbraw/zinc/42/29/80/220422980.db2.gz HATFSVYQYLSAAV-HNNXBMFYSA-N 1 0 362.905 3.800 50 0 FHAARO Cc1noc(C)c1CCC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000029342309 220602065 /nfs/dbraw/zinc/60/20/65/220602065.db2.gz GCSYRRTVAOQMAF-UHFFFAOYSA-N 1 0 369.509 3.772 50 0 FHAARO COc1ccccc1C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C(C)C ZINC000036102863 220802985 /nfs/dbraw/zinc/80/29/85/220802985.db2.gz XUTUHUNNCZODGJ-GOSISDBHSA-N 1 0 363.885 3.999 50 0 FHAARO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000036398495 220820243 /nfs/dbraw/zinc/82/02/43/220820243.db2.gz FZLMWGOCKYCHSH-LAUBAEHRSA-N 1 0 358.526 3.732 50 0 FHAARO CC[NH+](CC)CCN(CC(C)C)C(=O)/C=C/c1cc(OC)ccc1OC ZINC000040089847 220879138 /nfs/dbraw/zinc/87/91/38/220879138.db2.gz ACRDTECBAOQKCZ-FMIVXFBMSA-N 1 0 362.514 3.543 50 0 FHAARO CCc1ccc([C@H](CNC(=O)Nc2cccc(C(C)=O)c2)[NH+](C)C)cc1 ZINC000043239660 220945922 /nfs/dbraw/zinc/94/59/22/220945922.db2.gz CAAQDTCQMDYATN-FQEVSTJZSA-N 1 0 353.466 3.876 50 0 FHAARO CCOC(=O)c1cccnc1NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000048314371 221006136 /nfs/dbraw/zinc/00/61/36/221006136.db2.gz DUOVXFPGFLCTTM-SFHVURJKSA-N 1 0 369.465 3.516 50 0 FHAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2F)cc1 ZINC000048340894 221008705 /nfs/dbraw/zinc/00/87/05/221008705.db2.gz FMWRXQTZBPELDH-HNNXBMFYSA-N 1 0 364.486 3.707 50 0 FHAARO CCc1nnsc1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048354728 221010301 /nfs/dbraw/zinc/01/03/01/221010301.db2.gz FNXYIYYADVTGJA-GASCZTMLSA-N 1 0 372.538 3.508 50 0 FHAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(N(C)C)nc1 ZINC000048711452 221014697 /nfs/dbraw/zinc/01/46/97/221014697.db2.gz VMEREFIFUIAHEG-UHFFFAOYSA-N 1 0 371.435 3.518 50 0 FHAARO Fc1ccccc1OCCC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000048685326 221015051 /nfs/dbraw/zinc/01/50/51/221015051.db2.gz FLIBAMGUQTYLPC-UHFFFAOYSA-N 1 0 369.396 3.503 50 0 FHAARO O=C(CC[NH+]1CCCCCCC1)N(Cc1ccc2c(c1)OCO2)C1CC1 ZINC000055042179 221057683 /nfs/dbraw/zinc/05/76/83/221057683.db2.gz NMVGJCKSTJVPGX-UHFFFAOYSA-N 1 0 358.482 3.563 50 0 FHAARO CC[C@@H](CO)[N@H+](Cc1cccnc1)Cc1cc(F)c(OC)c(Cl)c1 ZINC000055100182 221058007 /nfs/dbraw/zinc/05/80/07/221058007.db2.gz SUMHIWBSAXZTJG-HNNXBMFYSA-N 1 0 352.837 3.656 50 0 FHAARO O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[C@H]1CC[NH2+]C1 ZINC000055098949 221059040 /nfs/dbraw/zinc/05/90/40/221059040.db2.gz IORYSVLFKFYUNW-VMSUTVGLSA-N 1 0 359.429 3.659 50 0 FHAARO CC[C@@H](C)[N@H+](Cc1c(C)n(C)n(-c2ccccc2)c1=O)Cc1cccnc1 ZINC000055182804 221060591 /nfs/dbraw/zinc/06/05/91/221060591.db2.gz HMDNBGIAWXNIPG-QGZVFWFLSA-N 1 0 364.493 3.680 50 0 FHAARO CC[C@@H](C)[N@H+](Cc1ccc(Sc2nncn2C)o1)Cc1ccncc1 ZINC000055198105 221060783 /nfs/dbraw/zinc/06/07/83/221060783.db2.gz UMKMLPPEVYODHL-CQSZACIVSA-N 1 0 357.483 3.755 50 0 FHAARO CC(=O)Oc1c(C)cc(C[N@@H+](Cc2c(C)nn(C)c2C)C(C)C)cc1C ZINC000055211977 221062076 /nfs/dbraw/zinc/06/20/76/221062076.db2.gz SBTRUANYDFRHSF-UHFFFAOYSA-N 1 0 357.498 3.990 50 0 FHAARO c1cc(C[N@@H+](CCCn2ccnc2)Cc2ccncc2)n(-c2ccccn2)c1 ZINC000055270664 221064660 /nfs/dbraw/zinc/06/46/60/221064660.db2.gz BNOMDUAYFBSYOG-UHFFFAOYSA-N 1 0 372.476 3.556 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@H](COc3ccc(C)cc3)C2)cc1CO ZINC000055252557 221064884 /nfs/dbraw/zinc/06/48/84/221064884.db2.gz PRRBQDBONOATIY-IBGZPJMESA-N 1 0 355.478 3.787 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000053274900 221045124 /nfs/dbraw/zinc/04/51/24/221045124.db2.gz JDMQLXZTLZLQFY-AWEZNQCLSA-N 1 0 363.914 3.607 50 0 FHAARO CNC(=O)COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)cs2)cc1 ZINC000054176207 221051299 /nfs/dbraw/zinc/05/12/99/221051299.db2.gz MQYJUFLUIQXSCR-UHFFFAOYSA-N 1 0 366.486 3.830 50 0 FHAARO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000054460029 221053147 /nfs/dbraw/zinc/05/31/47/221053147.db2.gz NEXFNSYLXJKPAS-UHFFFAOYSA-N 1 0 365.543 3.644 50 0 FHAARO C[NH+](C)CCN(Cc1ccsc1)Cc1cccc(Cn2cccn2)c1 ZINC000055414599 221069958 /nfs/dbraw/zinc/06/99/58/221069958.db2.gz UXGJBHFVVJQYNC-UHFFFAOYSA-N 1 0 354.523 3.557 50 0 FHAARO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccc(-n2cncn2)cc1 ZINC000055360044 221067334 /nfs/dbraw/zinc/06/73/34/221067334.db2.gz QUKSJAGLHGBSPQ-CQSZACIVSA-N 1 0 362.412 3.647 50 0 FHAARO CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000058158576 221100738 /nfs/dbraw/zinc/10/07/38/221100738.db2.gz AQMVFPYXMOWFTD-INIZCTEOSA-N 1 0 361.873 3.836 50 0 FHAARO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000058167237 221101797 /nfs/dbraw/zinc/10/17/97/221101797.db2.gz BSQHYNDWYHMLJS-AWEZNQCLSA-N 1 0 370.335 3.739 50 0 FHAARO CC[N@H+](Cc1cc(=O)n2nc(C)sc2n1)[C@H](C)c1cc2ccccc2o1 ZINC000058172420 221102610 /nfs/dbraw/zinc/10/26/10/221102610.db2.gz XSRHKEBVOKRNEK-GFCCVEGCSA-N 1 0 368.462 3.789 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1[nH]c2ccccc2c1Cl ZINC000058200791 221105075 /nfs/dbraw/zinc/10/50/75/221105075.db2.gz RMHIPRVPFQBSTN-UHFFFAOYSA-N 1 0 368.868 3.611 50 0 FHAARO Cc1ccc(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)cc1F ZINC000058227351 221109942 /nfs/dbraw/zinc/10/99/42/221109942.db2.gz WOEPLRMCLWEBII-UHFFFAOYSA-N 1 0 366.396 3.612 50 0 FHAARO CCCN(Cc1occc1C(=O)OC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058218693 221109353 /nfs/dbraw/zinc/10/93/53/221109353.db2.gz BCUJXEOMAVXPKD-IBGZPJMESA-N 1 0 370.493 3.943 50 0 FHAARO CC(C)[NH+]1CCC(N(C)C(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000057994559 221096862 /nfs/dbraw/zinc/09/68/62/221096862.db2.gz ABUIMKMGRUWBCD-RMKNXTFCSA-N 1 0 365.315 3.794 50 0 FHAARO CC[C@@H](CNC(=O)[C@@H](C)OCc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000058014217 221097476 /nfs/dbraw/zinc/09/74/76/221097476.db2.gz XNWJYNCWVLCDBN-GCJKJVERSA-N 1 0 366.505 3.545 50 0 FHAARO CCOC(=O)Nc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)c1 ZINC000058244250 221110616 /nfs/dbraw/zinc/11/06/16/221110616.db2.gz LDUSQIDIJTXIKQ-SFHVURJKSA-N 1 0 373.497 3.782 50 0 FHAARO Cc1nccc(-c2cccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2)n1 ZINC000058309938 221113314 /nfs/dbraw/zinc/11/33/14/221113314.db2.gz YFYRNRZOEIJVGU-IBGZPJMESA-N 1 0 365.481 3.544 50 0 FHAARO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000058315001 221113485 /nfs/dbraw/zinc/11/34/85/221113485.db2.gz VSEJEDQLRNTEEE-MRXNPFEDSA-N 1 0 360.457 3.973 50 0 FHAARO CCO[C@H](c1ccc(Br)cc1)[C@H]([NH2+]C)C(=O)c1ccccc1 ZINC000061868582 221135100 /nfs/dbraw/zinc/13/51/00/221135100.db2.gz HXBYRMFPYAGPJO-SJLPKXTDSA-N 1 0 362.267 3.998 50 0 FHAARO C[NH+]1CCC(NC(=S)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000063150054 221141882 /nfs/dbraw/zinc/14/18/82/221141882.db2.gz ZMFUBZCTVLOKOU-UHFFFAOYSA-N 1 0 372.365 3.927 50 0 FHAARO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000064590903 221148956 /nfs/dbraw/zinc/14/89/56/221148956.db2.gz TWYVWGHLEUPCSY-UHFFFAOYSA-N 1 0 359.832 3.899 50 0 FHAARO O=C(Cn1c(-c2cccs2)cc2ccccc21)NCCC[NH+]1CCCC1 ZINC000064657405 221149969 /nfs/dbraw/zinc/14/99/69/221149969.db2.gz AJEXQEJGDVNVGO-UHFFFAOYSA-N 1 0 367.518 3.972 50 0 FHAARO C[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000065363992 221203028 /nfs/dbraw/zinc/20/30/28/221203028.db2.gz SSXFSWVCDKHZCA-INIZCTEOSA-N 1 0 354.450 3.566 50 0 FHAARO Cc1cccc(OCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1C ZINC000065365795 221203169 /nfs/dbraw/zinc/20/31/69/221203169.db2.gz AKOAKPUGCWBDPK-UHFFFAOYSA-N 1 0 368.477 3.794 50 0 FHAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2ccc(-c3cncnc3)cc2)C[C@H]1O ZINC000065435885 221220142 /nfs/dbraw/zinc/22/01/42/221220142.db2.gz MSNDWTLNDUADTI-WOJBJXKFSA-N 1 0 365.502 3.864 50 0 FHAARO Cc1cnn(C)c1NC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000065457431 221222258 /nfs/dbraw/zinc/22/22/58/221222258.db2.gz AHWWWAGFOGFYAB-ICSRJNTNSA-N 1 0 366.509 3.993 50 0 FHAARO Cc1nn(-c2ccccc2)c2c1[C@H](c1[nH+]c(C)n3ccccc13)CC(=O)N2 ZINC000065459218 221222333 /nfs/dbraw/zinc/22/23/33/221222333.db2.gz XCPVFORVBDEPRM-MRXNPFEDSA-N 1 0 357.417 3.611 50 0 FHAARO Cc1nc(-c2ccc(CSc3ncccn3)o2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065499481 221227425 /nfs/dbraw/zinc/22/74/25/221227425.db2.gz JEYFUCZDHDIQAF-UHFFFAOYSA-N 1 0 364.434 3.621 50 0 FHAARO CC(C)CC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000065575237 221233439 /nfs/dbraw/zinc/23/34/39/221233439.db2.gz FRAXRXBCAMNMCQ-MRXNPFEDSA-N 1 0 359.495 3.997 50 0 FHAARO C[NH+](C)CCn1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000067258710 221249642 /nfs/dbraw/zinc/24/96/42/221249642.db2.gz UXPAGODMPOGJQT-UHFFFAOYSA-N 1 0 373.909 3.904 50 0 FHAARO C[N@H+](CCC[C@@H]1CCCO1)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067654465 221266371 /nfs/dbraw/zinc/26/63/71/221266371.db2.gz BOBKKNVFXXWPGW-LJQANCHMSA-N 1 0 350.466 3.787 50 0 FHAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1O ZINC000067604000 221262255 /nfs/dbraw/zinc/26/22/55/221262255.db2.gz CBMWCACPNCVYJI-QZTJIDSGSA-N 1 0 371.481 3.936 50 0 FHAARO COc1ccc2[nH]c3c(c2c1)CN(C(=O)CC1CC[NH+](C(C)C)CC1)CC3 ZINC000067675526 221269474 /nfs/dbraw/zinc/26/94/74/221269474.db2.gz JHGLRDCNNNIPMZ-UHFFFAOYSA-N 1 0 369.509 3.572 50 0 FHAARO CNc1nc(N2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000067741285 221279185 /nfs/dbraw/zinc/27/91/85/221279185.db2.gz CEMCNNQIWQWNGX-OAHLLOKOSA-N 1 0 366.444 3.740 50 0 FHAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc(C)cc3Cl)cnn2c1 ZINC000067820744 221290137 /nfs/dbraw/zinc/29/01/37/221290137.db2.gz FQIBGIZAYMXALC-UHFFFAOYSA-N 1 0 371.872 3.785 50 0 FHAARO CC[N@H+](C)CCCN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067756682 221282302 /nfs/dbraw/zinc/28/23/02/221282302.db2.gz GTJIRUQGYLANSB-UHFFFAOYSA-N 1 0 360.523 3.965 50 0 FHAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1cc(-c2nc(C)no2)ccn1 ZINC000067872158 221298507 /nfs/dbraw/zinc/29/85/07/221298507.db2.gz AOMDBFPQKYZLKW-UHFFFAOYSA-N 1 0 366.421 3.837 50 0 FHAARO CCc1c[nH]nc1C1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC000067983316 221313023 /nfs/dbraw/zinc/31/30/23/221313023.db2.gz LCIVOEZCKBPFJA-UHFFFAOYSA-N 1 0 352.526 3.816 50 0 FHAARO C[C@@H]1C[C@@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000068272194 221314393 /nfs/dbraw/zinc/31/43/93/221314393.db2.gz IMIWIKCSHURIDQ-DYVFJYSZSA-N 1 0 354.416 3.784 50 0 FHAARO O=C(N[C@@H]1CCCc2c1cnn2-c1cc[nH+]cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000071195727 221336082 /nfs/dbraw/zinc/33/60/82/221336082.db2.gz FCTJTNUMHNLONK-NLWGTHIKSA-N 1 0 358.445 3.565 50 0 FHAARO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069433959 221325292 /nfs/dbraw/zinc/32/52/92/221325292.db2.gz SBGWHPOFIKDNMN-IACUBPJLSA-N 1 0 357.281 3.504 50 0 FHAARO Cc1ncsc1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000071212651 221337382 /nfs/dbraw/zinc/33/73/82/221337382.db2.gz MEROFMRYUPOQQO-UHFFFAOYSA-N 1 0 369.284 3.665 50 0 FHAARO CSc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CNC(C)=O)C3)c(C)o2)cc1 ZINC000071422465 221348202 /nfs/dbraw/zinc/34/82/02/221348202.db2.gz NAXUFDSNXGPNMW-INIZCTEOSA-N 1 0 373.522 3.720 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2cccc3cnccc32)CCC[N@@H+]1CC1CC1 ZINC000071730202 221356879 /nfs/dbraw/zinc/35/68/79/221356879.db2.gz RSOGEMVINNGCCR-OAQYLSRUSA-N 1 0 351.494 3.817 50 0 FHAARO CC(C)[C@H]1C[N@H+](Cc2ccnc3ccccc23)CCC(=O)N1CC1CC1 ZINC000071738832 221358199 /nfs/dbraw/zinc/35/81/99/221358199.db2.gz UAARONGOPYIPTI-OAQYLSRUSA-N 1 0 351.494 3.704 50 0 FHAARO CC[C@H]1C[N@H+](Cc2ccc(O)c(C)c2)CCC(=O)N1Cc1ccccc1 ZINC000071738790 221358373 /nfs/dbraw/zinc/35/83/73/221358373.db2.gz RMGJXBFUWQAHJH-FQEVSTJZSA-N 1 0 352.478 3.714 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)CCC[N@@H+]1CC1CC1 ZINC000071707877 221354455 /nfs/dbraw/zinc/35/44/55/221354455.db2.gz UUIHVESGAFABMM-HXUWFJFHSA-N 1 0 366.509 3.659 50 0 FHAARO COc1ccc2cc([C@@H]3C[N@H+](CCCn4ccnc4)CCO3)ccc2c1 ZINC000071721560 221355761 /nfs/dbraw/zinc/35/57/61/221355761.db2.gz YAFYMOLLAXNPED-NRFANRHFSA-N 1 0 351.450 3.509 50 0 FHAARO Cn1c2ccccc2nc1C[C@H](O)C[N@H+](Cc1ccccc1)C(C)(C)C ZINC000071767427 221372783 /nfs/dbraw/zinc/37/27/83/221372783.db2.gz JIXSMHSSHXNQGH-SFHVURJKSA-N 1 0 351.494 3.777 50 0 FHAARO CC(C)[C@H]1CN(C(=O)c2cccc3cccnc32)CCC[N@@H+]1CC1CC1 ZINC000071779978 221374870 /nfs/dbraw/zinc/37/48/70/221374870.db2.gz BTPVTYUYKZQFHU-HXUWFJFHSA-N 1 0 351.494 3.817 50 0 FHAARO COCc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000072049043 221399144 /nfs/dbraw/zinc/39/91/44/221399144.db2.gz XEHINEZHXHPPKF-NRFANRHFSA-N 1 0 352.478 3.708 50 0 FHAARO COc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1C[NH+](C)C ZINC000072429414 221520183 /nfs/dbraw/zinc/52/01/83/221520183.db2.gz IXQXTOOZQAMSNM-UHFFFAOYSA-N 1 0 352.434 3.989 50 0 FHAARO CC(C)C[C@@H]1CCCCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000089821104 132200410 /nfs/dbraw/zinc/20/04/10/132200410.db2.gz WFQOBVODVXCWOK-SFHVURJKSA-N 1 0 358.530 3.871 50 0 FHAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000091575193 132202439 /nfs/dbraw/zinc/20/24/39/132202439.db2.gz UMDVMZOWGULJEP-UHFFFAOYSA-N 1 0 362.477 3.759 50 0 FHAARO Cc1ccc2[nH]c([C@H](C)[NH2+]C3CCN(c4nc(C)cc(C)n4)CC3)nc2c1 ZINC000095355789 132207287 /nfs/dbraw/zinc/20/72/87/132207287.db2.gz BKHONTDMXYGCRG-INIZCTEOSA-N 1 0 364.497 3.598 50 0 FHAARO C[C@H](C1CCN(c2ccc3cccc(Cl)c3n2)CC1)[NH+]1CCOCC1 ZINC000095374525 132208872 /nfs/dbraw/zinc/20/88/72/132208872.db2.gz HVSIQLFEQFDVAK-OAHLLOKOSA-N 1 0 359.901 3.825 50 0 FHAARO c1ccc(CO[C@@H]2CCCC[C@H]2[NH2+]C2CCN(c3ncccn3)CC2)cc1 ZINC000095506850 132213016 /nfs/dbraw/zinc/21/30/16/132213016.db2.gz JVQKFETYEBUTDT-NHCUHLMSSA-N 1 0 366.509 3.563 50 0 FHAARO COc1ccc2[nH]c(CN3CCN(c4cc[nH+]cc4C)CC3)c(C)c2c1 ZINC000097217441 132228093 /nfs/dbraw/zinc/22/80/93/132228093.db2.gz UDPKFTZLNCZSLW-UHFFFAOYSA-N 1 0 350.466 3.511 50 0 FHAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(N3CCOCC3)cc2c1=O ZINC000008717441 132260154 /nfs/dbraw/zinc/26/01/54/132260154.db2.gz ZTVQCVMDIZACTK-UHFFFAOYSA-N 1 0 357.498 3.707 50 0 FHAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000036047187 132375212 /nfs/dbraw/zinc/37/52/12/132375212.db2.gz NGGKDTCGSHXTLI-JMJGKCIBSA-N 1 0 374.569 3.647 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000003116710 132384798 /nfs/dbraw/zinc/38/47/98/132384798.db2.gz IIBCKHRGVQAUHR-UHFFFAOYSA-N 1 0 363.383 3.710 50 0 FHAARO FC(F)(F)c1ccc(N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)nc1 ZINC000004325028 132386811 /nfs/dbraw/zinc/38/68/11/132386811.db2.gz NWJTYHOKNNEVRX-UHFFFAOYSA-N 1 0 360.383 3.904 50 0 FHAARO C[C@H](CCCC(C)(C)O)[NH2+]C1CCN(c2ccc(-n3cccn3)cc2)CC1 ZINC000048112446 136122994 /nfs/dbraw/zinc/12/29/94/136122994.db2.gz QQNXVOQTKOEFAG-GOSISDBHSA-N 1 0 370.541 3.760 50 0 FHAARO O[C@@H](C[NH+]1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000051086265 136124014 /nfs/dbraw/zinc/12/40/14/136124014.db2.gz UMGDPPKONSCUAP-SFHVURJKSA-N 1 0 350.384 3.561 50 0 FHAARO O=C(CC1CCCC1)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055195758 136126207 /nfs/dbraw/zinc/12/62/07/136126207.db2.gz XVCVQRHVYPJAIT-NRFANRHFSA-N 1 0 373.516 3.519 50 0 FHAARO O=C(CC1CCCC1)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055195752 136126305 /nfs/dbraw/zinc/12/63/05/136126305.db2.gz XVCVQRHVYPJAIT-OAQYLSRUSA-N 1 0 373.516 3.519 50 0 FHAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccnc1 ZINC000055529385 136126788 /nfs/dbraw/zinc/12/67/88/136126788.db2.gz LLYZIWIPNBLKIC-UHFFFAOYSA-N 1 0 372.472 3.656 50 0 FHAARO C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000059274431 136132110 /nfs/dbraw/zinc/13/21/10/136132110.db2.gz DTDPXPDBECYUCK-QGZVFWFLSA-N 1 0 369.534 3.699 50 0 FHAARO COc1ccc(C[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000023282845 136152608 /nfs/dbraw/zinc/15/26/08/136152608.db2.gz MVUXNMHGVBGECN-INIZCTEOSA-N 1 0 358.457 3.596 50 0 FHAARO c1ccc(CCC[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000023374895 136152802 /nfs/dbraw/zinc/15/28/02/136152802.db2.gz XQZRTEJEVOZIHQ-XMMPIXPASA-N 1 0 363.549 3.906 50 0 FHAARO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](Cc1ccco1)CC2 ZINC000091793156 221797610 /nfs/dbraw/zinc/79/76/10/221797610.db2.gz JEGAKOMWBDKBDQ-UHFFFAOYSA-N 1 0 352.478 3.727 50 0 FHAARO Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)n1 ZINC000095353948 221854674 /nfs/dbraw/zinc/85/46/74/221854674.db2.gz LGXKUUODEOIELF-HXUWFJFHSA-N 1 0 363.505 3.732 50 0 FHAARO Cc1ccc(C[NH+]2CCC(CNc3nccc(-c4ccccn4)n3)CC2)o1 ZINC000096131116 222036096 /nfs/dbraw/zinc/03/60/96/222036096.db2.gz OPCQMLPLIUQDMG-UHFFFAOYSA-N 1 0 363.465 3.764 50 0 FHAARO COc1ccc([C@H]([NH3+])Cc2nc(C3CC3)nn2C2CCCCC2)cc1OC ZINC000096138338 222042325 /nfs/dbraw/zinc/04/23/25/222042325.db2.gz IIISZFVHJLHQNN-QGZVFWFLSA-N 1 0 370.497 3.920 50 0 FHAARO Fc1ccc([C@@H](CNc2nccc(-c3ccccn3)n2)[NH+]2CCCC2)cc1 ZINC000096141525 222046456 /nfs/dbraw/zinc/04/64/56/222046456.db2.gz MWMMYRSEGDPRSH-HXUWFJFHSA-N 1 0 363.440 3.927 50 0 FHAARO COCC[NH+]1CCC(CN(C)C(=O)Nc2cccc(-c3ccco3)c2)CC1 ZINC000096162208 222061988 /nfs/dbraw/zinc/06/19/88/222061988.db2.gz UVEAJGKKIQFWKK-UHFFFAOYSA-N 1 0 371.481 3.769 50 0 FHAARO c1ccc(C2(c3nc([C@H]4C[NH2+]CCO4)n(CC4CCCCC4)n3)CC2)cc1 ZINC000096163602 222062977 /nfs/dbraw/zinc/06/29/77/222062977.db2.gz ZCUMJMWTNMUJMV-LJQANCHMSA-N 1 0 366.509 3.599 50 0 FHAARO C[N@@H+]1CC[C@@H](Nc2nccc(-c3ccccn3)n2)[C@@H](Cc2ccccc2)C1 ZINC000096180431 222067840 /nfs/dbraw/zinc/06/78/40/222067840.db2.gz NJWXDFJOQHXFEV-RBUKOAKNSA-N 1 0 359.477 3.514 50 0 FHAARO Cn1c(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc2ccc(Cl)cc21 ZINC000096343822 222115793 /nfs/dbraw/zinc/11/57/93/222115793.db2.gz QDNICQCLJISVMO-NVXWUHKLSA-N 1 0 359.901 3.826 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1ccc(OC)cc1)c1ccccc1 ZINC000096943753 222144703 /nfs/dbraw/zinc/14/47/03/222144703.db2.gz FRGJPJSKAOOHCX-QTIWRUEGSA-N 1 0 352.478 3.908 50 0 FHAARO Cc1ccccc1OC[C@@H]1CCCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000097076700 222156434 /nfs/dbraw/zinc/15/64/34/222156434.db2.gz JTAJBZZCSUFANY-GOSISDBHSA-N 1 0 353.466 3.777 50 0 FHAARO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(OCCF)c1 ZINC000097164742 222165701 /nfs/dbraw/zinc/16/57/01/222165701.db2.gz GHOOWZMHDTUXTP-QGZVFWFLSA-N 1 0 351.466 3.667 50 0 FHAARO CC[N@@H+]1CCC[C@H](C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)C1 ZINC000097307594 222174314 /nfs/dbraw/zinc/17/43/14/222174314.db2.gz AOOBWJPFQMJJKA-ABHNRTSZSA-N 1 0 368.525 3.685 50 0 FHAARO Cc1c2cc(F)ccc2n(C)c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000097413366 222180530 /nfs/dbraw/zinc/18/05/30/222180530.db2.gz OMWDJVQMNAESRW-UHFFFAOYSA-N 1 0 357.473 3.716 50 0 FHAARO Clc1ccc(Oc2cccc(CN3CCN([C@H]4CC[NH2+]C4)CC3)c2)cc1 ZINC000097675436 222204236 /nfs/dbraw/zinc/20/42/36/222204236.db2.gz JQHSMEOBALXNGV-IBGZPJMESA-N 1 0 371.912 3.612 50 0 FHAARO CCn1ccnc1C1CCN(C(=O)C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000097743060 222208145 /nfs/dbraw/zinc/20/81/45/222208145.db2.gz DQYJBVGLKNTFQH-UHFFFAOYSA-N 1 0 372.557 3.654 50 0 FHAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000097730268 222209221 /nfs/dbraw/zinc/20/92/21/222209221.db2.gz YXRITONFBIMCAB-UHFFFAOYSA-N 1 0 354.425 3.944 50 0 FHAARO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2sccc2C)c(F)c1 ZINC000097797458 222212546 /nfs/dbraw/zinc/21/25/46/222212546.db2.gz XCUYTCIRUBRJKN-UHFFFAOYSA-N 1 0 365.474 3.800 50 0 FHAARO CC(=O)Nc1cc(NC(=O)NC[C@H](c2cccc(C)c2)[NH+](C)C)ccc1F ZINC000097785004 222212682 /nfs/dbraw/zinc/21/26/82/222212682.db2.gz CAXCNCQNHUTPCX-LJQANCHMSA-N 1 0 372.444 3.517 50 0 FHAARO O=C(Nc1ccc(F)cc1F)c1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)c1 ZINC000102670317 222304366 /nfs/dbraw/zinc/30/43/66/222304366.db2.gz SANAEUBITGKZTM-PIIMJCKOSA-N 1 0 372.415 3.705 50 0 FHAARO Cc1csc(C2=C(N)N(C3CC[NH+](Cc4ccccc4)CC3)CC2=O)n1 ZINC000102719000 222305140 /nfs/dbraw/zinc/30/51/40/222305140.db2.gz MQVUUWOWCOMHLG-UHFFFAOYSA-N 1 0 368.506 3.678 50 0 FHAARO CCOc1ccccc1CN1CC[N@@H+](C2CCCCCC2)C[C@H]1CCO ZINC000104626670 222360135 /nfs/dbraw/zinc/36/01/35/222360135.db2.gz RMWKIIBEEZZBPR-OAQYLSRUSA-N 1 0 360.542 3.677 50 0 FHAARO Cc1ncnc(N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1C ZINC000106965784 222390720 /nfs/dbraw/zinc/39/07/20/222390720.db2.gz PZXYSXUCNOMUMA-HXUWFJFHSA-N 1 0 356.489 3.969 50 0 FHAARO CN1CCc2c(sc3nc(SCCCc4ccccc4)nc(N)c32)C1 ZINC000020440889 263380272 /nfs/dbraw/zinc/38/02/72/263380272.db2.gz YUBOIGFFHYYMQB-UHFFFAOYSA-N 1 0 370.547 3.986 50 0 FHAARO CC[NH+](CC)[C@H]1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000020450602 263381002 /nfs/dbraw/zinc/38/10/02/263381002.db2.gz FNABMXTWULGNNT-HNNXBMFYSA-N 1 0 368.403 3.672 50 0 FHAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H]2CCSc3ccc(Cl)cc32)no1 ZINC000025217032 263388782 /nfs/dbraw/zinc/38/87/82/263388782.db2.gz VTOZEWGSHHXBTO-GWCFXTLKSA-N 1 0 351.859 3.790 50 0 FHAARO CC(C)(C)[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(-c2cccc(N)n2)c1 ZINC000426598921 263642869 /nfs/dbraw/zinc/64/28/69/263642869.db2.gz POBKXXDAKYZMNC-IBGZPJMESA-N 1 0 366.509 3.571 50 0 FHAARO COc1cccc(-c2ccc(C(=O)N3CCC[C@]4(CC[N@H+](C)C4)C3)cc2)c1 ZINC000426604511 263644220 /nfs/dbraw/zinc/64/42/20/263644220.db2.gz OFLWKLFQIOBWAK-HSZRJFAPSA-N 1 0 364.489 3.920 50 0 FHAARO Cc1nc(Cl)ccc1NC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000299758502 534430915 /nfs/dbraw/zinc/43/09/15/534430915.db2.gz LUMUMWLWSZTHQW-OAHLLOKOSA-N 1 0 374.872 3.535 50 0 FHAARO CCOC[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000081522139 520134238 /nfs/dbraw/zinc/13/42/38/520134238.db2.gz WMMXOHNOHWSBNJ-UZLBHIALSA-N 1 0 356.441 3.864 50 0 FHAARO CCCC[N@H+](C)CC1CCN(c2ncnc3c2cnn3C(C)(C)C)CC1 ZINC000089953518 520401616 /nfs/dbraw/zinc/40/16/16/520401616.db2.gz GYTIPZOWWXRFCG-UHFFFAOYSA-N 1 0 358.534 3.530 50 0 FHAARO CCN(CC)c1nnc(-n2cccc2C[NH2+]Cc2ccc(C)cc2)s1 ZINC000020576627 520935749 /nfs/dbraw/zinc/93/57/49/520935749.db2.gz IXDFCSOLVBMPMC-UHFFFAOYSA-N 1 0 355.511 3.773 50 0 FHAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccc3nsnc3c2)C1 ZINC000020201870 522955545 /nfs/dbraw/zinc/95/55/45/522955545.db2.gz SQTGTVUGCMLQBE-IBGZPJMESA-N 1 0 366.534 3.830 50 0 FHAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000020995599 522966255 /nfs/dbraw/zinc/96/62/55/522966255.db2.gz XIYWMXYSCGRSBR-LHXJMTLCSA-N 1 0 353.485 3.873 50 0 FHAARO COc1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3cccc(CO)c3)C1)CCC2 ZINC000091351241 522998450 /nfs/dbraw/zinc/99/84/50/522998450.db2.gz WJPLVCYQKPBSBC-SFHVURJKSA-N 1 0 351.490 3.741 50 0 FHAARO CC[C@]1(CO)CCCN(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000091441395 523613434 /nfs/dbraw/zinc/61/34/34/523613434.db2.gz IXHOCPAPTIUSPM-QFIPXVFZSA-N 1 0 358.526 3.687 50 0 FHAARO CC[C@@]1(CO)CCCN(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000091441396 523737259 /nfs/dbraw/zinc/73/72/59/523737259.db2.gz IXHOCPAPTIUSPM-JOCHJYFZSA-N 1 0 358.526 3.687 50 0 FHAARO CCc1cc(C[N@@H+]2CCC[C@@H](c3nccn3Cc3ccccc3)C2)on1 ZINC000082116291 523788201 /nfs/dbraw/zinc/78/82/01/523788201.db2.gz YGKIVVPQMYQTAI-GOSISDBHSA-N 1 0 350.466 3.861 50 0 FHAARO COc1ccc(CN2CC[NH+](C(C)C)CC2)cc1OCc1ccccc1 ZINC000019790203 524031516 /nfs/dbraw/zinc/03/15/16/524031516.db2.gz OZXZSMGWEZKXPY-UHFFFAOYSA-N 1 0 354.494 3.800 50 0 FHAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000020102868 524046445 /nfs/dbraw/zinc/04/64/45/524046445.db2.gz FOOJDEIIOZUYFZ-UHFFFAOYSA-N 1 0 352.478 3.532 50 0 FHAARO Cc1ccc(C[NH+]2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)c(F)c1 ZINC000082108576 524439555 /nfs/dbraw/zinc/43/95/55/524439555.db2.gz HBMQUVGBIGYEBD-UHFFFAOYSA-N 1 0 371.504 3.502 50 0 FHAARO COc1cccc(-c2ccc(N3CCC([NH2+]Cc4ccncn4)CC3)cc2)c1 ZINC000020537773 525713081 /nfs/dbraw/zinc/71/30/81/525713081.db2.gz FYIMWXLRPPOFAK-UHFFFAOYSA-N 1 0 374.488 3.911 50 0 FHAARO COc1cccc(C[NH+]2CCC(c3nccn3CC3CC3)CC2)c1OC ZINC000082138333 525936600 /nfs/dbraw/zinc/93/66/00/525936600.db2.gz QAKFNFYPFJWOML-UHFFFAOYSA-N 1 0 355.482 3.690 50 0 FHAARO CSc1nnc(CC2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)n1C ZINC000082099927 526226721 /nfs/dbraw/zinc/22/67/21/526226721.db2.gz GISFNWRUKYNITL-CQSZACIVSA-N 1 0 362.543 3.887 50 0 FHAARO Fc1ccccc1CN1CCC[C@H]([NH2+]Cc2cccn2-c2nccs2)C1 ZINC000020537918 526409782 /nfs/dbraw/zinc/40/97/82/526409782.db2.gz FYLYTVCAAURPON-KRWDZBQOSA-N 1 0 370.497 3.827 50 0 FHAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)C1(c2ccc(F)cc2)CC1 ZINC000091620891 526577528 /nfs/dbraw/zinc/57/75/28/526577528.db2.gz VOBZNEVJUZBUED-HXUWFJFHSA-N 1 0 370.443 3.950 50 0 FHAARO c1csc(CSc2nnc(CC3CC[NH2+]CC3)n2-c2ccccc2)n1 ZINC000082099335 526583346 /nfs/dbraw/zinc/58/33/46/526583346.db2.gz HPOQGHVXHQZISH-UHFFFAOYSA-N 1 0 371.535 3.558 50 0 FHAARO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccc2c(c1)OCO2 ZINC000089807622 526596534 /nfs/dbraw/zinc/59/65/34/526596534.db2.gz KMDSJCDETRZXHK-QGZVFWFLSA-N 1 0 359.470 3.582 50 0 FHAARO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000020996244 526751775 /nfs/dbraw/zinc/75/17/75/526751775.db2.gz IUFGBNSHCSVPLO-INIZCTEOSA-N 1 0 365.399 3.887 50 0 FHAARO Cc1nc(CC(=O)N[C@@H]2CCCC[N@H+](C/C=C/c3ccccc3)C2)cs1 ZINC000082091629 526791339 /nfs/dbraw/zinc/79/13/39/526791339.db2.gz JVDYMSCVSMLHPK-QPGLYAHGSA-N 1 0 369.534 3.678 50 0 FHAARO Clc1cc(Cl)cc(-c2ccc(C[NH2+]CCN3CCOCC3)o2)c1 ZINC000020018565 526928490 /nfs/dbraw/zinc/92/84/90/526928490.db2.gz YTQWPPVTVCNJPZ-UHFFFAOYSA-N 1 0 355.265 3.675 50 0 FHAARO Clc1ccc(Cl)c(-c2ccc(C[NH2+]CCN3CCOCC3)o2)c1 ZINC000019990561 526953009 /nfs/dbraw/zinc/95/30/09/526953009.db2.gz UAVDJJKEKOCTGN-UHFFFAOYSA-N 1 0 355.265 3.675 50 0 FHAARO Cc1ncc2c(c1-c1noc(CCSCc3ccccc3)n1)CC[NH2+]C2 ZINC000020994788 527316260 /nfs/dbraw/zinc/31/62/60/527316260.db2.gz HTVGEMOFUXKSCZ-UHFFFAOYSA-N 1 0 366.490 3.562 50 0 FHAARO O=C(Nc1cccc(C[NH2+][C@@H]2CCCC[C@H]2O)c1)c1ccccc1Cl ZINC000078724809 527337901 /nfs/dbraw/zinc/33/79/01/527337901.db2.gz RCRYPFVFSIVZMD-RTBURBONSA-N 1 0 358.869 3.985 50 0 FHAARO O=C(Nc1cccc(C[NH2+][C@H]2CCCC[C@H]2O)c1)c1ccccc1Cl ZINC000078724810 527337925 /nfs/dbraw/zinc/33/79/25/527337925.db2.gz RCRYPFVFSIVZMD-RBUKOAKNSA-N 1 0 358.869 3.985 50 0 FHAARO CCCc1ccccc1NC(=O)N1CCCC[C@@H]1CC[NH+]1CCN(C)CC1 ZINC000299778267 528643183 /nfs/dbraw/zinc/64/31/83/528643183.db2.gz GXGANXOYJXJCFA-HXUWFJFHSA-N 1 0 372.557 3.663 50 0 FHAARO CCCc1nc(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000299792274 528695232 /nfs/dbraw/zinc/69/52/32/528695232.db2.gz DVTYVVNTQKTACY-QGZVFWFLSA-N 1 0 357.523 3.738 50 0 FHAARO CC[C@H](C)NC(=O)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000034668721 536168744 /nfs/dbraw/zinc/16/87/44/536168744.db2.gz KZNDOCFFANMZNO-KRWDZBQOSA-N 1 0 369.484 3.676 50 0 FHAARO C[NH+]1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000004622011 536422811 /nfs/dbraw/zinc/42/28/11/536422811.db2.gz XYTWMBAEYUOXNE-UHFFFAOYSA-N 1 0 367.537 3.983 50 0 FHAARO COc1ccc2nc(N3CCC([NH2+]Cc4ccc(C)o4)CC3)nc(C)c2c1 ZINC000299764245 537055107 /nfs/dbraw/zinc/05/51/07/537055107.db2.gz YUFFXVXYPQOIEL-UHFFFAOYSA-N 1 0 366.465 3.607 50 0 FHAARO Cc1cc(C)c2c(CN3CC[NH+](C4CCCCC4)CC3)cc(=O)oc2c1 ZINC000032561934 560089062 /nfs/dbraw/zinc/08/90/62/560089062.db2.gz XSUFLYSABLUBNS-UHFFFAOYSA-N 1 0 354.494 3.860 50 0 biogenic,in-vitro FHAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(Br)c1 ZINC000003996161 560193152 /nfs/dbraw/zinc/19/31/52/560193152.db2.gz AGZJPXXQAWUYDC-GOEBONIOSA-N 1 0 352.272 3.870 50 0 biogenic,in-vitro FHAARO CN(Cc1cnc(SCc2ccccc2)nc1)C[C@]1(C)CC[N@H+](C)C1 ZINC000215025623 568042987 /nfs/dbraw/zinc/04/29/87/568042987.db2.gz MNMXPAVBHXIYPT-HXUWFJFHSA-N 1 0 356.539 3.543 50 0 FHAARO CC(C)c1noc(C2CC[NH+](Cc3ccc(Cn4cccn4)cc3)CC2)n1 ZINC000215267101 568060890 /nfs/dbraw/zinc/06/08/90/568060890.db2.gz RPOZVMCBEBKFBF-UHFFFAOYSA-N 1 0 365.481 3.817 50 0 FHAARO Cc1cc(-n2cccn2)ccc1C[N@@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000215550727 568076516 /nfs/dbraw/zinc/07/65/16/568076516.db2.gz CDTWIGARKBJHSK-JOCHJYFZSA-N 1 0 362.477 3.757 50 0 FHAARO CCc1ccc(CN(CCc2ccccn2)C2CC[NH+](CC)CC2)nc1 ZINC000215575658 568077736 /nfs/dbraw/zinc/07/77/36/568077736.db2.gz FHOHCYZWTSFCMK-UHFFFAOYSA-N 1 0 352.526 3.568 50 0 FHAARO Cc1nc(CN(C)Cc2cc(C)cc(C[N@H+]3CCC[C@H](C)C3)c2C)no1 ZINC000215591644 568078827 /nfs/dbraw/zinc/07/88/27/568078827.db2.gz ZQICCZCQZKJGSA-HNNXBMFYSA-N 1 0 356.514 3.859 50 0 FHAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)CCc1cn(C)c2ccccc12 ZINC000006857958 568087643 /nfs/dbraw/zinc/08/76/43/568087643.db2.gz CJKWCGHFOPZIPR-QZTJIDSGSA-N 1 0 355.526 3.880 50 0 FHAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)c1cc(-n2cccn2)ccc1Cl ZINC000215845239 568092155 /nfs/dbraw/zinc/09/21/55/568092155.db2.gz IYZFTSJOTGGJDG-UHFFFAOYSA-N 1 0 374.916 3.910 50 0 FHAARO Cc1cc(C)c2ccc(C(=O)N3CCC([NH+]4CCSCC4)CC3)cc2n1 ZINC000216396071 568121645 /nfs/dbraw/zinc/12/16/45/568121645.db2.gz ZJQVTUHQTDEBPC-UHFFFAOYSA-N 1 0 369.534 3.505 50 0 FHAARO O=C(CC1CC[NH+](Cc2ccccc2)CC1)N1CC(Oc2ccccc2)C1 ZINC000219982179 568314635 /nfs/dbraw/zinc/31/46/35/568314635.db2.gz MLTQEVFNJDGLBU-UHFFFAOYSA-N 1 0 364.489 3.579 50 0 FHAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2-c2ccc(F)cc2)C1 ZINC000220533087 568346373 /nfs/dbraw/zinc/34/63/73/568346373.db2.gz OQFLCKCJEHPQLM-KRWDZBQOSA-N 1 0 370.468 3.581 50 0 FHAARO COc1ccc(CC[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1OC ZINC000221826419 568462287 /nfs/dbraw/zinc/46/22/87/568462287.db2.gz SAWRYBBRTMXXEP-FXAWDEMLSA-N 1 0 354.494 3.671 50 0 FHAARO CC(C)n1cc(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cn1 ZINC000222354270 568518119 /nfs/dbraw/zinc/51/81/19/568518119.db2.gz XTMBILXHVHBJIG-UHFFFAOYSA-N 1 0 354.498 3.770 50 0 FHAARO CCOc1ccc([N+]2=C3CCCCCN3[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000000624136 570439178 /nfs/dbraw/zinc/43/91/78/570439178.db2.gz JRPQWXUANQUDOC-QFIPXVFZSA-N 1 0 369.460 3.875 50 0 FHAARO CC(C)c1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)cc1 ZINC000091943521 570442998 /nfs/dbraw/zinc/44/29/98/570442998.db2.gz HVHCNONFEBHYTM-PGRDOPGGSA-N 1 0 363.505 3.942 50 0 FHAARO CCc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091952092 570443325 /nfs/dbraw/zinc/44/33/25/570443325.db2.gz MFQGRKCKAYWIBE-ZWKOTPCHSA-N 1 0 372.944 3.732 50 0 FHAARO CN(C(=O)c1ccc2cccc(F)c2n1)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000091987226 570443978 /nfs/dbraw/zinc/44/39/78/570443978.db2.gz BUURHGYTPXJBRA-IBGZPJMESA-N 1 0 351.425 3.749 50 0 FHAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000091998145 570444449 /nfs/dbraw/zinc/44/44/49/570444449.db2.gz XIJBMWTZENUOLX-QFIPXVFZSA-N 1 0 353.510 3.862 50 0 FHAARO CC(C)Oc1ccc(Cl)cc1CN1CC2(CC[NH2+]CC2)CCC1=O ZINC000092097014 570447605 /nfs/dbraw/zinc/44/76/05/570447605.db2.gz VWJQWOONLHCHNL-UHFFFAOYSA-N 1 0 350.890 3.619 50 0 FHAARO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000093454500 570449787 /nfs/dbraw/zinc/44/97/87/570449787.db2.gz ONRCULIFUTTZLG-OAQYLSRUSA-N 1 0 369.509 3.687 50 0 FHAARO O=C(/C=C/c1ccccc1Cl)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225569981 570449938 /nfs/dbraw/zinc/44/99/38/570449938.db2.gz XXERZARCKDELAV-FUTAKVPZSA-N 1 0 364.942 3.687 50 0 FHAARO COc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(OC)cc2)C3)cc1 ZINC000095354212 570452889 /nfs/dbraw/zinc/45/28/89/570452889.db2.gz VQCFXIIHFCETKJ-LEWJYISDSA-N 1 0 366.505 3.800 50 0 FHAARO CN(Cc1cnc2ccccc2c1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095359645 570453928 /nfs/dbraw/zinc/45/39/28/570453928.db2.gz JIRUGXOEKPZVCJ-OAQYLSRUSA-N 1 0 359.473 3.974 50 0 FHAARO Cc1cccc(NC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)c1C ZINC000095361718 570454359 /nfs/dbraw/zinc/45/43/59/570454359.db2.gz DHEJYGOTKRSXRH-AZUAARDMSA-N 1 0 364.493 3.827 50 0 FHAARO Cc1csc(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000095364386 570454858 /nfs/dbraw/zinc/45/48/58/570454858.db2.gz LPNQTGIJZPPCIV-UHFFFAOYSA-N 1 0 357.523 3.800 50 0 FHAARO CCCn1ncc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1C ZINC000095364006 570455151 /nfs/dbraw/zinc/45/51/51/570455151.db2.gz DHFFNWLJNQVQET-RBBKRZOGSA-N 1 0 352.526 3.698 50 0 FHAARO Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000095367419 570455587 /nfs/dbraw/zinc/45/55/87/570455587.db2.gz NMJDWLDACBKRCC-NRFANRHFSA-N 1 0 366.509 3.573 50 0 FHAARO c1cn(Cc2cscn2)c([C@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000095372852 570456840 /nfs/dbraw/zinc/45/68/40/570456840.db2.gz MZZZOCUHUFDVPR-KRWDZBQOSA-N 1 0 368.506 3.646 50 0 FHAARO COc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)cc1O ZINC000095375467 570457067 /nfs/dbraw/zinc/45/70/67/570457067.db2.gz NYIHHTBSPOXWCC-AZUAARDMSA-N 1 0 370.468 3.636 50 0 FHAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1[nH]c3ccc(Cl)cc3c1C)C2 ZINC000095375938 570457113 /nfs/dbraw/zinc/45/71/13/570457113.db2.gz LFNONFWSBMHVJA-DOTOQJQBSA-N 1 0 361.917 3.672 50 0 FHAARO CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095380815 570459110 /nfs/dbraw/zinc/45/91/10/570459110.db2.gz WXRFSDAWBGQTTL-OAHLLOKOSA-N 1 0 369.490 3.760 50 0 FHAARO COCCN1C[C@H]2CC[C@@H]1C[N@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC000095382952 570459596 /nfs/dbraw/zinc/45/95/96/570459596.db2.gz RJOASDIHSBIVJB-NZQKXSOJSA-N 1 0 364.533 3.861 50 0 FHAARO Cc1nc(C)c(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)o1 ZINC000095387649 570460345 /nfs/dbraw/zinc/46/03/45/570460345.db2.gz UMLZLPZBWJKNAR-IBGZPJMESA-N 1 0 367.493 3.633 50 0 FHAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCC(c2cccc(O)c2)CC1 ZINC000095390301 570460721 /nfs/dbraw/zinc/46/07/21/570460721.db2.gz ROZGIKIBSRBVQZ-NRFANRHFSA-N 1 0 364.489 3.879 50 0 FHAARO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095504571 570463815 /nfs/dbraw/zinc/46/38/15/570463815.db2.gz ASCUODCWYQEHFI-UHFFFAOYSA-N 1 0 368.525 3.965 50 0 FHAARO O=C(NCc1ccc(F)cc1Cl)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095504516 570464003 /nfs/dbraw/zinc/46/40/03/570464003.db2.gz BVEZJVBKYMDJOZ-CQSZACIVSA-N 1 0 350.821 3.601 50 0 FHAARO O=C(c1ccccc1)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000095508974 570464659 /nfs/dbraw/zinc/46/46/59/570464659.db2.gz KNMIBDHVTIJEQG-GHTZIAJQSA-N 1 0 352.453 3.999 50 0 FHAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](Cc1ccncc1)CC2 ZINC000095517401 570466360 /nfs/dbraw/zinc/46/63/60/570466360.db2.gz KQAKWIHFLGMSST-UHFFFAOYSA-N 1 0 369.896 3.750 50 0 FHAARO Cc1ccc2ncccc2c1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095518554 570466836 /nfs/dbraw/zinc/46/68/36/570466836.db2.gz ZSUJMYSATYATHQ-QGZVFWFLSA-N 1 0 363.461 3.665 50 0 FHAARO CN(Cc1ccccc1)C(=O)CCC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000095524511 570468514 /nfs/dbraw/zinc/46/85/14/570468514.db2.gz ACQOVKPLSQQTSW-OAQYLSRUSA-N 1 0 358.526 3.564 50 0 FHAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cccnc1Oc1ccccc1F)C2 ZINC000095524632 570468519 /nfs/dbraw/zinc/46/85/19/570468519.db2.gz URJTYVXEWGTXMU-LSDHHAIUSA-N 1 0 370.428 3.713 50 0 FHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc[nH]1 ZINC000095531721 570469886 /nfs/dbraw/zinc/46/98/86/570469886.db2.gz QQHMXKMRWYFZTN-SFHVURJKSA-N 1 0 357.473 3.571 50 0 FHAARO C[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000004815960 570470987 /nfs/dbraw/zinc/47/09/87/570470987.db2.gz RQYGBQGUEMQQBG-OXQOHEQNSA-N 1 0 364.445 3.843 50 0 FHAARO CCCOC[C@H]1CC[N@@H+](C2CCN(c3ncnc4sc(C)cc43)CC2)C1 ZINC000096149360 570477226 /nfs/dbraw/zinc/47/72/26/570477226.db2.gz WXBGGMUYLZWLHV-INIZCTEOSA-N 1 0 374.554 3.717 50 0 FHAARO Cc1ccc(-n2ncc(C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)c2C(C)C)cc1 ZINC000236866150 570513438 /nfs/dbraw/zinc/51/34/38/570513438.db2.gz XVGDFLVYMFHDGI-DLBZAZTESA-N 1 0 354.498 3.504 50 0 FHAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)c1cc(F)cc(F)c1 ZINC000002514758 570523360 /nfs/dbraw/zinc/52/33/60/570523360.db2.gz YCQRHYYERBIJNL-UHFFFAOYSA-N 1 0 373.399 3.535 50 0 FHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3ccc(F)cc3F)c2)C1 ZINC000034670408 570526933 /nfs/dbraw/zinc/52/69/33/570526933.db2.gz FENOZGMFYHMEEN-OAHLLOKOSA-N 1 0 360.404 3.802 50 0 FHAARO CCNC(=O)[C@H]1C[C@@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2F)C1 ZINC000034711189 570532562 /nfs/dbraw/zinc/53/25/62/570532562.db2.gz YBDKHMQPMBHKOT-UXHICEINSA-N 1 0 354.469 3.876 50 0 FHAARO COCCC[NH2+]CCCOc1ccc2ccccc2c1Br ZINC000003003760 570549633 /nfs/dbraw/zinc/54/96/33/570549633.db2.gz UJVYCRGGPUFKHP-UHFFFAOYSA-N 1 0 352.272 3.997 50 0 FHAARO COCCC[NH2+]CCCCOc1ccc(Cl)cc1Br ZINC000003003712 570549705 /nfs/dbraw/zinc/54/97/05/570549705.db2.gz MGGIVGDZJLIXAV-UHFFFAOYSA-N 1 0 350.684 3.888 50 0 FHAARO COc1ccc2c(c1)CCCN2C(=O)CN1CC=C(c2ccccc2)CC1 ZINC000030633860 570552889 /nfs/dbraw/zinc/55/28/89/570552889.db2.gz XAKNZXRHKHBBQA-UHFFFAOYSA-N 1 0 362.473 3.764 50 0 FHAARO O[C@@H](C[NH+]1CCC(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)C(F)(F)F ZINC000004025214 570573134 /nfs/dbraw/zinc/57/31/34/570573134.db2.gz VZHSQILNSFBNRO-INIZCTEOSA-N 1 0 373.806 3.833 50 0 FHAARO Fc1ccccc1CN1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004140878 570578369 /nfs/dbraw/zinc/57/83/69/570578369.db2.gz IRZPFUUMKXVPGH-UHFFFAOYSA-N 1 0 353.485 3.612 50 0 FHAARO COc1ccc2[nH]c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000004324494 570585192 /nfs/dbraw/zinc/58/51/92/570585192.db2.gz LILLEVXBHLVIHZ-UHFFFAOYSA-N 1 0 363.461 3.571 50 0 FHAARO O=C(COc1ccc(Cl)cc1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000004351109 570586615 /nfs/dbraw/zinc/58/66/15/570586615.db2.gz QTRSGYCTXLZASX-UHFFFAOYSA-N 1 0 350.890 3.586 50 0 FHAARO C[C@@H]1C(c2cccs2)[N+](=O)[C@@](C)(c2ccc(Br)cc2)N1O ZINC000004426788 570590637 /nfs/dbraw/zinc/59/06/37/570590637.db2.gz NLJREFMPITYUBU-BMIGLBTASA-N 1 0 367.268 3.776 50 0 FHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000011715950 570592079 /nfs/dbraw/zinc/59/20/79/570592079.db2.gz WCRAVESHLOIEID-QGZVFWFLSA-N 1 0 370.493 3.621 50 0 FHAARO C[C@@H](CCc1ccccc1)NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000248158959 570599192 /nfs/dbraw/zinc/59/91/92/570599192.db2.gz FMSDKKOEGFKTPK-UGKGYDQZSA-N 1 0 350.506 3.831 50 0 FHAARO Cc1ccc(C[NH+]2CCC(N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000004712143 570602720 /nfs/dbraw/zinc/60/27/20/570602720.db2.gz IQJQZQBEJJWMOE-UHFFFAOYSA-N 1 0 367.512 3.921 50 0 FHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000004741628 570604756 /nfs/dbraw/zinc/60/47/56/570604756.db2.gz LARYCWKUWOUFCG-FQEVSTJZSA-N 1 0 369.428 3.902 50 0 FHAARO COc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)c(Cl)c1OC ZINC000426435336 570605016 /nfs/dbraw/zinc/60/50/16/570605016.db2.gz HBQCWEZODJADJX-SIXWZSSISA-N 1 0 369.889 3.516 50 0 FHAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000004758834 570605665 /nfs/dbraw/zinc/60/56/65/570605665.db2.gz JIPHMFIDTCTQKV-UHFFFAOYSA-N 1 0 364.276 3.998 50 0 FHAARO COc1cc(C)c(-c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)cc1C ZINC000426488479 570608635 /nfs/dbraw/zinc/60/86/35/570608635.db2.gz YAMZJQJKMNZAJE-LJQANCHMSA-N 1 0 352.478 3.755 50 0 FHAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cnc(C4CCCCC4)nc3)[C@H]2C1 ZINC000426589729 570617351 /nfs/dbraw/zinc/61/73/51/570617351.db2.gz FYCJODXBTOWRLU-IRFCIJBXSA-N 1 0 359.514 3.683 50 0 FHAARO CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000005010291 570617888 /nfs/dbraw/zinc/61/78/88/570617888.db2.gz PZDCFPDKQRXIJF-SFHVURJKSA-N 1 0 355.478 3.630 50 0 FHAARO CC(C)N(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cn1 ZINC000252497002 570622947 /nfs/dbraw/zinc/62/29/47/570622947.db2.gz PXHYNKAJSZBMKZ-KRWDZBQOSA-N 1 0 351.853 3.542 50 0 FHAARO COc1ccc([C@H]2[C@H](C[NH+]3CCCCC3)C(=O)N2c2ccccc2)cc1 ZINC000005527110 570629501 /nfs/dbraw/zinc/62/95/01/570629501.db2.gz YOZCZMWRFAHLNU-SFTDATJTSA-N 1 0 350.462 3.885 50 0 FHAARO COCc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192529098 570643761 /nfs/dbraw/zinc/64/37/61/570643761.db2.gz VNBZADPQKDUXKQ-FQEVSTJZSA-N 1 0 367.493 3.819 50 0 FHAARO [NH2+]=C(Nc1cc(Cl)cc(Cl)c1)Nc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000006447888 570647037 /nfs/dbraw/zinc/64/70/37/570647037.db2.gz MNUOSLBDVFMUFS-UHFFFAOYSA-N 1 0 366.130 3.554 50 0 FHAARO Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)oc2c1[C@@H](O)CC(C)(C)C2 ZINC000005321370 570648755 /nfs/dbraw/zinc/64/87/55/570648755.db2.gz BDVJQHUJROJNKS-AWEZNQCLSA-N 1 0 362.514 3.633 50 0 FHAARO Fc1ccc(-c2ccc(C[NH2+]CCCN3CCOCC3)o2)cc1Cl ZINC000006697686 570652251 /nfs/dbraw/zinc/65/22/51/570652251.db2.gz YADFOMDLEAXIGG-UHFFFAOYSA-N 1 0 352.837 3.551 50 0 FHAARO O[C@@]1(c2ccccc2)C[N+](c2ccc(Br)cc2)=C2CCCCN21 ZINC000002966176 570678646 /nfs/dbraw/zinc/67/86/46/570678646.db2.gz YRKDGLJQEMFVGK-LJQANCHMSA-N 1 0 372.286 3.709 50 0 FHAARO COc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000002966335 570679099 /nfs/dbraw/zinc/67/90/99/570679099.db2.gz KXRYQJKFKJZVPE-HXUWFJFHSA-N 1 0 357.861 3.609 50 0 FHAARO Cc1cc(Cl)ccc1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010450815 570700916 /nfs/dbraw/zinc/70/09/16/570700916.db2.gz PLZRUOWYXBPCKL-UHFFFAOYSA-N 1 0 372.896 3.808 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)c(OC)c1OC ZINC000011662994 570704633 /nfs/dbraw/zinc/70/46/33/570704633.db2.gz JZKBOMZCOAZWCS-GOSISDBHSA-N 1 0 374.456 3.928 50 0 FHAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccncc2)CC1 ZINC000011665303 570704702 /nfs/dbraw/zinc/70/47/02/570704702.db2.gz APEBDBHIKMWDTO-UHFFFAOYSA-N 1 0 368.477 3.696 50 0 FHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccco4)C3)C2)c1 ZINC000011699833 570705698 /nfs/dbraw/zinc/70/56/98/570705698.db2.gz IYBYTWXBVNVOLF-NRFANRHFSA-N 1 0 372.440 3.556 50 0 FHAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000011782577 570706686 /nfs/dbraw/zinc/70/66/86/570706686.db2.gz MNPZAJMLOJUSDV-FQEVSTJZSA-N 1 0 370.468 3.548 50 0 FHAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000022926666 570708861 /nfs/dbraw/zinc/70/88/61/570708861.db2.gz NJAKSLNSFHBICU-OAQYLSRUSA-N 1 0 366.509 3.842 50 0 FHAARO CN(C(=O)CCc1ccsc1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011840921 570709399 /nfs/dbraw/zinc/70/93/99/570709399.db2.gz WCKQZDIOVZQCGK-HXUWFJFHSA-N 1 0 356.535 3.846 50 0 FHAARO CC1(C(=O)N2CC[C@@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)CC1 ZINC000011844548 570709686 /nfs/dbraw/zinc/70/96/86/570709686.db2.gz IYTBVBMEDBLETL-MRXNPFEDSA-N 1 0 362.464 3.825 50 0 FHAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000011844084 570709902 /nfs/dbraw/zinc/70/99/02/570709902.db2.gz UERYLOAWQISEDH-IBGZPJMESA-N 1 0 354.519 3.902 50 0 FHAARO COc1cccc(OC)c1-c1cc2c(c(OC)c1)OCC[N@@H+](C(C)C)C2 ZINC000011872580 570710158 /nfs/dbraw/zinc/71/01/58/570710158.db2.gz MYMJLHHTHGQECV-UHFFFAOYSA-N 1 0 357.450 3.982 50 0 FHAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000011878554 570710832 /nfs/dbraw/zinc/71/08/32/570710832.db2.gz ODOONJNISLIFGH-UHFFFAOYSA-N 1 0 371.506 3.640 50 0 FHAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+]([C@H](C)CSC)CC1 ZINC000011878468 570710890 /nfs/dbraw/zinc/71/08/90/570710890.db2.gz CCWPNVFCHLTASB-OAHLLOKOSA-N 1 0 353.503 3.765 50 0 FHAARO Cc1ccc([C@H](C)CC[N@H+]2CCC(=O)N(Cc3ccccc3F)CC2)o1 ZINC000011880275 570711485 /nfs/dbraw/zinc/71/14/85/570711485.db2.gz WNTHAKOXSDNEBE-MRXNPFEDSA-N 1 0 358.457 3.955 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3C)C2)c(F)c1 ZINC000011947978 570712829 /nfs/dbraw/zinc/71/28/29/570712829.db2.gz VCJSWVYMCFSYGO-QFIPXVFZSA-N 1 0 357.469 3.960 50 0 FHAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3cccc(C(C)=O)c3)C2)c1 ZINC000012073634 570716450 /nfs/dbraw/zinc/71/64/50/570716450.db2.gz TXKJDCPXMBUMIU-QHCPKHFHSA-N 1 0 367.489 3.715 50 0 FHAARO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@H+](CCCn2cccn2)C1 ZINC000012090014 570718195 /nfs/dbraw/zinc/71/81/95/570718195.db2.gz IVIQWCCPWIZVCA-QFIPXVFZSA-N 1 0 369.509 3.551 50 0 FHAARO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC000012206186 570727708 /nfs/dbraw/zinc/72/77/08/570727708.db2.gz OXOYWRAIJPZUFR-JOCHJYFZSA-N 1 0 374.488 3.908 50 0 FHAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cc(C(C)C)n[nH]2)C1 ZINC000012209983 570728080 /nfs/dbraw/zinc/72/80/80/570728080.db2.gz ONADALHHEAMSCL-QFIPXVFZSA-N 1 0 369.509 3.921 50 0 FHAARO O=C1N(CCCc2ccccc2)CCC[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000012308173 570735440 /nfs/dbraw/zinc/73/54/40/570735440.db2.gz OGCMXKFINKNLIW-HSZRJFAPSA-N 1 0 363.505 3.529 50 0 FHAARO C[C@H](Oc1ccc(F)cc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012380631 570740508 /nfs/dbraw/zinc/74/05/08/570740508.db2.gz KGCIFIQTDYWGOU-HNNXBMFYSA-N 1 0 374.431 3.513 50 0 FHAARO Cc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cn1 ZINC000012438660 570745738 /nfs/dbraw/zinc/74/57/38/570745738.db2.gz JVEVEMIASSGHTF-NRFANRHFSA-N 1 0 351.494 3.559 50 0 FHAARO Cc1cccc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)n1 ZINC000012449476 570747045 /nfs/dbraw/zinc/74/70/45/570747045.db2.gz LSUMJOAQSBZBRF-UHFFFAOYSA-N 1 0 367.497 3.552 50 0 FHAARO Cc1cc(OCC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)ccc1Cl ZINC000032593758 570750609 /nfs/dbraw/zinc/75/06/09/570750609.db2.gz APQVZVJJSMAQDC-SFHVURJKSA-N 1 0 364.848 3.585 50 0 FHAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cccs3)sc2c1 ZINC000004359126 570757022 /nfs/dbraw/zinc/75/70/22/570757022.db2.gz AKJGFBIHOFPGTP-UHFFFAOYSA-N 1 0 361.492 3.575 50 0 FHAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)COc3ccccc3)sc2c1 ZINC000004359116 570757049 /nfs/dbraw/zinc/75/70/49/570757049.db2.gz KSSCPBKYPSZEJR-UHFFFAOYSA-N 1 0 369.490 3.578 50 0 FHAARO C[NH+](C)CCN(C(=O)CCc1ccccc1)c1nc2c(cccc2F)s1 ZINC000004359290 570757353 /nfs/dbraw/zinc/75/73/53/570757353.db2.gz ASHNKGMDQNBKPB-UHFFFAOYSA-N 1 0 371.481 3.963 50 0 FHAARO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)Nc1cc(Cl)ccc1-n1cncn1 ZINC000229988904 570767408 /nfs/dbraw/zinc/76/74/08/570767408.db2.gz OVSPXCMOPYZHSQ-WMLDXEAASA-N 1 0 373.888 3.514 50 0 FHAARO COc1ccc(C[C@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)cc1OC ZINC000004989491 570774981 /nfs/dbraw/zinc/77/49/81/570774981.db2.gz JTFOBBVDBIYLDQ-SFHVURJKSA-N 1 0 368.521 3.889 50 0 FHAARO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000013675740 570784087 /nfs/dbraw/zinc/78/40/87/570784087.db2.gz QLVOVSBALYNEJZ-LJQANCHMSA-N 1 0 360.523 3.773 50 0 FHAARO COCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008469061 570796024 /nfs/dbraw/zinc/79/60/24/570796024.db2.gz VOYIKLGZEBZIIZ-UHFFFAOYSA-N 1 0 353.821 3.803 50 0 FHAARO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)cn1 ZINC000014952714 570826874 /nfs/dbraw/zinc/82/68/74/570826874.db2.gz IBLOVMYGCQZJGP-JOCHJYFZSA-N 1 0 355.526 3.898 50 0 FHAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccoc2)CC1)N1CCCCC1 ZINC000014955536 570826988 /nfs/dbraw/zinc/82/69/88/570826988.db2.gz ZSAHBLIOGBMXCW-UHFFFAOYSA-N 1 0 368.477 3.949 50 0 FHAARO CC(C)(C)c1ccc(OCC[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000015378338 570838114 /nfs/dbraw/zinc/83/81/14/570838114.db2.gz PZGRXZPPYVXGGT-UHFFFAOYSA-N 1 0 354.494 3.891 50 0 FHAARO C[C@@H](NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(Br)cc1 ZINC000104617221 570860038 /nfs/dbraw/zinc/86/00/38/570860038.db2.gz SFDKTGSMFOUREQ-HZSPNIEDSA-N 1 0 353.304 3.604 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCc2ccccc21 ZINC000047334985 570885647 /nfs/dbraw/zinc/88/56/47/570885647.db2.gz JZFFPNZXFIYTNW-UHFFFAOYSA-N 1 0 353.441 3.562 50 0 FHAARO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000108363129 570906070 /nfs/dbraw/zinc/90/60/70/570906070.db2.gz CGGFREDLBDXSKV-XAGWURHQSA-N 1 0 374.706 3.873 50 0 FHAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000020542724 570919606 /nfs/dbraw/zinc/91/96/06/570919606.db2.gz NMJBZAXBVRSGDP-QGZVFWFLSA-N 1 0 359.514 3.674 50 0 FHAARO O=C(c1ccc(-c2cnco2)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000047816715 570930881 /nfs/dbraw/zinc/93/08/81/570930881.db2.gz QNEZMGILPVEHAM-UHFFFAOYSA-N 1 0 361.445 3.690 50 0 FHAARO CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000022923129 570953039 /nfs/dbraw/zinc/95/30/39/570953039.db2.gz ZITJEYGHRXEHNH-VQTJNVASSA-N 1 0 363.590 3.658 50 0 FHAARO CCOc1cccc(C[NH2+]CCN(C)C)c1OCc1ccc(Cl)cc1 ZINC000022937152 570954041 /nfs/dbraw/zinc/95/40/41/570954041.db2.gz ALEDKAAQPSYVFB-UHFFFAOYSA-N 1 0 362.901 3.969 50 0 FHAARO COc1cc2c(cc1CN[C@@H]1CCC[N@H+](CC3CCCCC3)C1)OCO2 ZINC000023358957 570961915 /nfs/dbraw/zinc/96/19/15/570961915.db2.gz LTMZAKDDSSSKGD-GOSISDBHSA-N 1 0 360.498 3.558 50 0 FHAARO CC(=O)Nc1ccc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC000023359186 570962163 /nfs/dbraw/zinc/96/21/63/570962163.db2.gz GKSOEQNFOIAVKL-HSZRJFAPSA-N 1 0 365.521 3.784 50 0 FHAARO O=C(Nc1ccnn1Cc1cccs1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023581260 570965309 /nfs/dbraw/zinc/96/53/09/570965309.db2.gz SRRVGMWAVPXEGY-ZDUSSCGKSA-N 1 0 358.492 3.731 50 0 FHAARO O=C(NC1CC1)[C@@H](NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1 ZINC000024518853 570977273 /nfs/dbraw/zinc/97/72/73/570977273.db2.gz XBOJVCVYPUPVFB-NRFANRHFSA-N 1 0 369.553 3.785 50 0 FHAARO Cc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1-n1cccc1 ZINC000025331826 570994568 /nfs/dbraw/zinc/99/45/68/570994568.db2.gz CQWQGWIBLWTBKZ-LJQANCHMSA-N 1 0 353.491 3.880 50 0 FHAARO Cc1nc(-c2ccccn2)sc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000025443721 570995914 /nfs/dbraw/zinc/99/59/14/570995914.db2.gz SLUDCCHICWAPQQ-UHFFFAOYSA-N 1 0 372.538 3.898 50 0 FHAARO Fc1ccc(CC[NH2+]Cc2nc(-c3ccccc3OC(F)F)no2)cc1 ZINC000025573013 570997412 /nfs/dbraw/zinc/99/74/12/570997412.db2.gz WIBVCZZXWLSQIN-UHFFFAOYSA-N 1 0 363.339 3.809 50 0 FHAARO CCCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC000025720741 570999304 /nfs/dbraw/zinc/99/93/04/570999304.db2.gz ZMVWJGHZIBZFMW-HNNXBMFYSA-N 1 0 362.495 3.578 50 0 FHAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000027541791 571013519 /nfs/dbraw/zinc/01/35/19/571013519.db2.gz RMXAATIYJQJYQM-KRWDZBQOSA-N 1 0 358.449 3.646 50 0 FHAARO COc1ccc(CC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000027662132 571017221 /nfs/dbraw/zinc/01/72/21/571017221.db2.gz GDOBVFWXFYIHGA-JOCHJYFZSA-N 1 0 366.505 3.890 50 0 FHAARO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000040103967 571017573 /nfs/dbraw/zinc/01/75/73/571017573.db2.gz VKIHTFREMCVFSB-OKZBNKHCSA-N 1 0 358.530 3.775 50 0 FHAARO O=C(COc1ccccc1Cl)N1CCC(CC[NH+]2CCCCC2)CC1 ZINC000027994760 571025807 /nfs/dbraw/zinc/02/58/07/571025807.db2.gz ZLVREGGOESNUIV-UHFFFAOYSA-N 1 0 364.917 3.833 50 0 FHAARO C[C@H](NCC[N@H+](CC1CC1)C1CC1)c1nc(Br)ccc1F ZINC000225408065 571033563 /nfs/dbraw/zinc/03/35/63/571033563.db2.gz DRPLUYLPMRLPPL-NSHDSACASA-N 1 0 356.283 3.508 50 0 FHAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@@H](C)O ZINC000008328259 571040920 /nfs/dbraw/zinc/04/09/20/571040920.db2.gz VZHOVFPWFVJADZ-CQSZACIVSA-N 1 0 355.413 3.583 50 0 FHAARO CC1CC[NH+](Cc2ccc(CNc3nnnn3-c3ccccc3)cc2)CC1 ZINC000029529430 571041345 /nfs/dbraw/zinc/04/13/45/571041345.db2.gz XVWCUPITBNRPLE-UHFFFAOYSA-N 1 0 362.481 3.506 50 0 FHAARO COc1ccc2c(CC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)coc2c1 ZINC000008342632 571041942 /nfs/dbraw/zinc/04/19/42/571041942.db2.gz BKAQJCWLGOBTBZ-GOSISDBHSA-N 1 0 368.433 3.530 50 0 FHAARO COCc1c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)sc2cccc(F)c21 ZINC000066948785 571042715 /nfs/dbraw/zinc/04/27/15/571042715.db2.gz KSWLYYZXZSKPKO-CYBMUJFWSA-N 1 0 364.486 3.743 50 0 FHAARO CNC(=O)c1ccc(C[N@H+](Cc2ccc(F)c3cccnc23)C2CC2)cc1 ZINC000029718583 571042757 /nfs/dbraw/zinc/04/27/57/571042757.db2.gz HZAJAKGKXUFSAN-UHFFFAOYSA-N 1 0 363.436 3.898 50 0 FHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)o1 ZINC000067253359 571045373 /nfs/dbraw/zinc/04/53/73/571045373.db2.gz WOBVNLRYBUJSKT-HNNXBMFYSA-N 1 0 354.429 3.733 50 0 FHAARO Cc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CCCC3)s2)cc1 ZINC000008619125 571053446 /nfs/dbraw/zinc/05/34/46/571053446.db2.gz SXCRMWLOJMWHPG-UHFFFAOYSA-N 1 0 353.495 3.527 50 0 FHAARO Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000032541024 571058114 /nfs/dbraw/zinc/05/81/14/571058114.db2.gz HJQRCELSZATZRH-FQEVSTJZSA-N 1 0 368.521 3.693 50 0 FHAARO COc1ccc(-c2csc3ncnc(N4CCC[N@H+](C)CC4)c23)cc1 ZINC000008733953 571058301 /nfs/dbraw/zinc/05/83/01/571058301.db2.gz ABJICQMNIWRNNC-UHFFFAOYSA-N 1 0 354.479 3.509 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)no2)cc1 ZINC000032622384 571059035 /nfs/dbraw/zinc/05/90/35/571059035.db2.gz RHKDLAJPVIRAIB-IBGZPJMESA-N 1 0 367.424 3.822 50 0 FHAARO COc1ccc(NC(=O)N(CC[NH+]2CCCC2)Cc2ccccc2)cc1 ZINC000083947555 571061384 /nfs/dbraw/zinc/06/13/84/571061384.db2.gz DTPSYQHUCFVVNL-UHFFFAOYSA-N 1 0 353.466 3.825 50 0 FHAARO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3CC34CCCC4)cc2)CC1 ZINC000072310262 571070764 /nfs/dbraw/zinc/07/07/64/571070764.db2.gz JKDGTLKNLXKTRU-HXUWFJFHSA-N 1 0 355.526 3.983 50 0 FHAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc[nH]c2=S)C1 ZINC000040112278 571079374 /nfs/dbraw/zinc/07/93/74/571079374.db2.gz YXNZZADBJCODRF-OAHLLOKOSA-N 1 0 355.507 3.532 50 0 FHAARO COc1ccc(-c2noc(NC3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000021158324 571084147 /nfs/dbraw/zinc/08/41/47/571084147.db2.gz JWCXMHQUWHEMJN-UHFFFAOYSA-N 1 0 364.449 3.822 50 0 FHAARO O=C(CCN1CCC[C@H]([NH2+]Cc2ccccc2)C1)Nc1ccccc1Cl ZINC000084539308 571088331 /nfs/dbraw/zinc/08/83/31/571088331.db2.gz RNBGUSIGUDCJLR-SFHVURJKSA-N 1 0 371.912 3.923 50 0 FHAARO CCCCc1nnc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000040158606 571088534 /nfs/dbraw/zinc/08/85/34/571088534.db2.gz AKWRWNNBEPEECV-MRXNPFEDSA-N 1 0 358.511 3.731 50 0 FHAARO COc1ccccc1/C=C/CN1CC[N@H+](CC2CCCCC2)[C@H](CCO)C1 ZINC000039551315 571089702 /nfs/dbraw/zinc/08/97/02/571089702.db2.gz VWJZKULPPSBJMF-ICKBMGCOSA-N 1 0 372.553 3.657 50 0 FHAARO Cc1csc2nc(C[NH2+][C@@H](C)C34CC5CC(CC(C5)C3)C4)cc(=O)n12 ZINC000040161486 571089913 /nfs/dbraw/zinc/08/99/13/571089913.db2.gz GWKLUHOBNIAGAF-IVKJLDKCSA-N 1 0 357.523 3.759 50 0 FHAARO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720567 571092199 /nfs/dbraw/zinc/09/21/99/571092199.db2.gz OLNMCMSJFRATEV-UHFFFAOYSA-N 1 0 362.901 3.887 50 0 FHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000229890539 571095515 /nfs/dbraw/zinc/09/55/15/571095515.db2.gz WRXZJVQSVRWRSR-ZFWWWQNUSA-N 1 0 373.419 3.822 50 0 FHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000229890529 571095541 /nfs/dbraw/zinc/09/55/41/571095541.db2.gz WRXZJVQSVRWRSR-DZGCQCFKSA-N 1 0 373.419 3.822 50 0 FHAARO c1ccc2c(c1)nc(N1CC[NH+](C3CCCCC3)CC1)nc2N1CCCC1 ZINC000041148366 571096833 /nfs/dbraw/zinc/09/68/33/571096833.db2.gz FEXNKACBOVLBIG-UHFFFAOYSA-N 1 0 365.525 3.685 50 0 FHAARO CCn1c(C)c(C(C)=O)c2cc(OC[C@H](O)C[NH+]3CCCCCC3)ccc21 ZINC000012421987 571098237 /nfs/dbraw/zinc/09/82/37/571098237.db2.gz JPPRKUZYJWLXOA-GOSISDBHSA-N 1 0 372.509 3.788 50 0 FHAARO Cn1cccc1C[N@@H+](Cc1ccccc1)C[C@H](O)COCc1ccccc1 ZINC000004590997 571098634 /nfs/dbraw/zinc/09/86/34/571098634.db2.gz OCIGWSWKXJQUQQ-QHCPKHFHSA-N 1 0 364.489 3.605 50 0 FHAARO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000044912608 571104917 /nfs/dbraw/zinc/10/49/17/571104917.db2.gz VJRKCUXYYBQLKG-UHFFFAOYSA-N 1 0 366.505 3.922 50 0 FHAARO CSc1cccc(CNC(=O)N(C)[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000426640557 571105105 /nfs/dbraw/zinc/10/51/05/571105105.db2.gz UOZREPLNUKWZNL-LJQANCHMSA-N 1 0 357.523 3.853 50 0 FHAARO O=C(c1cc(C2CC2)on1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000239654259 571108710 /nfs/dbraw/zinc/10/87/10/571108710.db2.gz BNCGBLOBKKESOF-UHFFFAOYSA-N 1 0 365.477 3.680 50 0 FHAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1noc2c1COc1ccccc1-2 ZINC000033028839 571110470 /nfs/dbraw/zinc/11/04/70/571110470.db2.gz WXYLTAPKMCVCLW-GASCZTMLSA-N 1 0 369.465 3.617 50 0 FHAARO O=C1[C@@H]2CC[C@@H](c3ccccc3)N2C(=O)N1C1CC[NH+](C2CCCC2)CC1 ZINC000241795502 571110588 /nfs/dbraw/zinc/11/05/88/571110588.db2.gz RZRWQHUGCVBSDT-PMACEKPBSA-N 1 0 367.493 3.561 50 0 FHAARO COc1ccc(OC)c(COC[C@H](O)C[NH+]2C(C)(C)CCCC2(C)C)c1 ZINC000011027259 571110728 /nfs/dbraw/zinc/11/07/28/571110728.db2.gz GTRPEBADLWAMIU-QGZVFWFLSA-N 1 0 365.514 3.624 50 0 FHAARO COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c(Br)c1OC ZINC000242106249 571110850 /nfs/dbraw/zinc/11/08/50/571110850.db2.gz WIEGUIIHYHHGKS-OCCSQVGLSA-N 1 0 372.303 3.592 50 0 FHAARO C[C@H](C(=O)NCc1cc(-c2ccccc2Cl)no1)[NH+]1CCCCCC1 ZINC000244633156 571113919 /nfs/dbraw/zinc/11/39/19/571113919.db2.gz FXRIAELIYCPNTM-CQSZACIVSA-N 1 0 361.873 3.876 50 0 FHAARO C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1[nH]nc2c1CCCCC2 ZINC000244723810 571115442 /nfs/dbraw/zinc/11/54/42/571115442.db2.gz MHRXASURQJMIJR-UHFFFAOYSA-N 1 0 360.889 3.793 50 0 FHAARO COc1ccc(CNC(=O)CC[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)cc1 ZINC000244734759 571115830 /nfs/dbraw/zinc/11/58/30/571115830.db2.gz NLKNUQTUEHACRY-QGZVFWFLSA-N 1 0 372.896 3.844 50 0 FHAARO Cc1ccccc1SC1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000244741827 571115896 /nfs/dbraw/zinc/11/58/96/571115896.db2.gz NXOYTXAPBDFRKL-UHFFFAOYSA-N 1 0 355.507 3.975 50 0 FHAARO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccc4c(c3)CCCO4)o2)CC1 ZINC000244748847 571116131 /nfs/dbraw/zinc/11/61/31/571116131.db2.gz OPMHNEVPZLJAGS-UHFFFAOYSA-N 1 0 368.477 3.767 50 0 FHAARO O=C(Cc1cccc2ccccc21)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473176 571117211 /nfs/dbraw/zinc/11/72/11/571117211.db2.gz PLTCWVGHFHEZEQ-HXUWFJFHSA-N 1 0 368.546 3.812 50 0 FHAARO Cc1ccc(C[N@H+](CCC(=O)Nc2nnc(C3CC3)s2)C2CC2)s1 ZINC000244811820 571117962 /nfs/dbraw/zinc/11/79/62/571117962.db2.gz SLRKJCGVRPJLOI-UHFFFAOYSA-N 1 0 362.524 3.779 50 0 FHAARO Fc1ccc(-c2n[nH]cc2C[NH2+][C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC000055568934 571120909 /nfs/dbraw/zinc/12/09/09/571120909.db2.gz FKDYDQQBDHCFRC-HXUWFJFHSA-N 1 0 361.424 3.943 50 0 FHAARO Cc1ccc(-c2nc(CC(=O)NCc3cccc(C[NH+](C)C)c3)cs2)o1 ZINC000046380457 571122056 /nfs/dbraw/zinc/12/20/56/571122056.db2.gz KSUQXKRUCVTQCP-UHFFFAOYSA-N 1 0 369.490 3.632 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)COc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000010329534 571125320 /nfs/dbraw/zinc/12/53/20/571125320.db2.gz AYLFUFIXTHZLAC-NRFANRHFSA-N 1 0 366.436 3.777 50 0 FHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000010413531 571126463 /nfs/dbraw/zinc/12/64/63/571126463.db2.gz HFKHDGPLNVGWMP-UHFFFAOYSA-N 1 0 353.466 3.743 50 0 FHAARO CCCCN(C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1)C(C)C ZINC000247961206 571126662 /nfs/dbraw/zinc/12/66/62/571126662.db2.gz DVZZEAQCQMHYAE-GOSISDBHSA-N 1 0 370.541 3.822 50 0 FHAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)N(C(C)C)C(C)C)C2)nc2ccccc21 ZINC000249693157 571129147 /nfs/dbraw/zinc/12/91/47/571129147.db2.gz NSLVDCNDKDTSOG-SFHVURJKSA-N 1 0 370.541 3.914 50 0 FHAARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000058407667 571132275 /nfs/dbraw/zinc/13/22/75/571132275.db2.gz LKAQDEVJECHQLD-HXUWFJFHSA-N 1 0 371.525 3.854 50 0 FHAARO CC(C)[N@H+](C)Cc1ccc(CNC(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000059987172 571135894 /nfs/dbraw/zinc/13/58/94/571135894.db2.gz IICHVEGFBBLUPI-UHFFFAOYSA-N 1 0 368.477 3.618 50 0 FHAARO CCOc1ccc(C(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1 ZINC000077103965 571139699 /nfs/dbraw/zinc/13/96/99/571139699.db2.gz BJYHLVOGVCELIP-UHFFFAOYSA-N 1 0 358.507 3.756 50 0 FHAARO O=C(Cc1ccccc1Cl)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077103980 571139733 /nfs/dbraw/zinc/13/97/33/571139733.db2.gz UNWSPESABHBSMJ-UHFFFAOYSA-N 1 0 362.926 3.940 50 0 FHAARO COc1ccc(CCC(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1 ZINC000077103996 571139787 /nfs/dbraw/zinc/13/97/87/571139787.db2.gz NFJRLVQVZYIBLF-UHFFFAOYSA-N 1 0 372.534 3.685 50 0 FHAARO CCCn1cc(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)c(C)n1 ZINC000055167753 571145054 /nfs/dbraw/zinc/14/50/54/571145054.db2.gz JONHRILXHFYKGD-OAHLLOKOSA-N 1 0 350.470 3.613 50 0 FHAARO O=c1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)nc2ccc(Cl)cn12 ZINC000025445305 571146178 /nfs/dbraw/zinc/14/61/78/571146178.db2.gz XJFJGEDPKPRCLW-QGZVFWFLSA-N 1 0 357.816 3.824 50 0 FHAARO O[C@@H](CC[N@@H+]1CCc2onc(-c3cccc(F)c3)c2C1)c1ccccc1 ZINC000067515459 571146994 /nfs/dbraw/zinc/14/69/94/571146994.db2.gz DIWIKKLBAFFBLI-IBGZPJMESA-N 1 0 352.409 3.963 50 0 FHAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)c1 ZINC000006008996 571170477 /nfs/dbraw/zinc/17/04/77/571170477.db2.gz GJCVAFLZCCMJTM-GOSISDBHSA-N 1 0 363.542 3.872 50 0 FHAARO c1ccc(-c2cccc(C[N@H+]3CCCN(Cc4cccnc4)CC3)c2)nc1 ZINC000072140281 571171885 /nfs/dbraw/zinc/17/18/85/571171885.db2.gz UJROGTVFVSKFKS-UHFFFAOYSA-N 1 0 358.489 3.852 50 0 FHAARO COc1cc(Cl)cc2cc(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)oc21 ZINC000072150717 571174422 /nfs/dbraw/zinc/17/44/22/571174422.db2.gz GUMBXKKVIQPPAW-CQSZACIVSA-N 1 0 350.846 3.651 50 0 FHAARO COc1c[nH]c(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)cc1=O ZINC000072153184 571174647 /nfs/dbraw/zinc/17/46/47/571174647.db2.gz QIEBKCXJZHYOJK-AWEZNQCLSA-N 1 0 362.420 3.919 50 0 FHAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072156617 571175063 /nfs/dbraw/zinc/17/50/63/571175063.db2.gz OPUUVRHWYRUPJN-CQSZACIVSA-N 1 0 351.425 3.656 50 0 FHAARO COc1cccc(OC[C@@H]2CCC[N@H+](Cc3cc(O)ccc3OC)C2)c1 ZINC000072161024 571175631 /nfs/dbraw/zinc/17/56/31/571175631.db2.gz DSBVOPKNHIIHQX-MRXNPFEDSA-N 1 0 357.450 3.700 50 0 FHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1c[nH]nc1-c1ccccc1 ZINC000012535659 571175889 /nfs/dbraw/zinc/17/58/89/571175889.db2.gz DGLAYGSCVLUDLI-UHFFFAOYSA-N 1 0 374.488 3.993 50 0 FHAARO Cc1cccc2[nH]c(C3CC[NH+](Cc4ccccc4OCCO)CC3)nc21 ZINC000072164173 571176402 /nfs/dbraw/zinc/17/64/02/571176402.db2.gz AMJDSMLTTCMCII-UHFFFAOYSA-N 1 0 365.477 3.622 50 0 FHAARO FC1(F)CCN(Cc2cc3n(n2)CCC[N@H+](C[C@@H]2CC=CCC2)C3)CC1 ZINC000072164474 571176491 /nfs/dbraw/zinc/17/64/91/571176491.db2.gz VXLBJLHFDVRALC-QGZVFWFLSA-N 1 0 364.484 3.676 50 0 FHAARO CNc1nc(CN2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cs1 ZINC000072170009 571177325 /nfs/dbraw/zinc/17/73/25/571177325.db2.gz LOVUJAGETGRJRP-XUVXKRRUSA-N 1 0 368.550 3.555 50 0 FHAARO CC[C@H](Nc1nc(-c2ccncc2)nc2c1C[NH2+]C2)c1nc(C)c(C)s1 ZINC000072169582 571177492 /nfs/dbraw/zinc/17/74/92/571177492.db2.gz MNUMJENFCIRDHR-HNNXBMFYSA-N 1 0 366.494 3.778 50 0 FHAARO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)C2CC2)cc1 ZINC000229081218 571177556 /nfs/dbraw/zinc/17/75/56/571177556.db2.gz UPERYMFWBACBCB-XUEUYAKLSA-N 1 0 356.510 3.917 50 0 FHAARO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COCCOc2ccc(Cl)cc2)[C@@H]1C ZINC000012549378 571179298 /nfs/dbraw/zinc/17/92/98/571179298.db2.gz OSISLWGQAJWPLM-LFEHRJTNSA-N 1 0 355.906 3.511 50 0 FHAARO Clc1cccc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)c1 ZINC000012557865 571181541 /nfs/dbraw/zinc/18/15/41/571181541.db2.gz NTCPADDZFOQETO-UHFFFAOYSA-N 1 0 352.869 3.848 50 0 FHAARO O=C(Nc1ccccc1)c1cccc2[nH]cc(C[NH+]3CCSCC3)c21 ZINC000075483579 571188952 /nfs/dbraw/zinc/18/89/52/571188952.db2.gz HHRWUYNIUAYTLX-UHFFFAOYSA-N 1 0 351.475 3.969 50 0 FHAARO Cc1nn2c(nc(-c3ccccc3)cc2N(C)C[C@H]2CCCC[N@@H+]2C)c1C ZINC000072409609 571191663 /nfs/dbraw/zinc/19/16/63/571191663.db2.gz KXPTZQOXTSLKGJ-LJQANCHMSA-N 1 0 363.509 3.934 50 0 FHAARO CNc1cc(C)[nH+]c(N[C@@H]2CCCN(c3nc4ccccc4s3)C2)n1 ZINC000072418882 571192591 /nfs/dbraw/zinc/19/25/91/571192591.db2.gz DNORWQOVLPRBLG-CYBMUJFWSA-N 1 0 354.483 3.517 50 0 FHAARO CC(C)(O)CCc1ccc(C[NH+]2CCC([C@H](O)c3ccccn3)CC2)cc1 ZINC000072428315 571194786 /nfs/dbraw/zinc/19/47/86/571194786.db2.gz XTAVYVUHCPRRNI-QFIPXVFZSA-N 1 0 368.521 3.731 50 0 FHAARO Cn1cc(C[N@H+](C)CC[C@H](O)c2ccccc2)c(-c2ccccc2F)n1 ZINC000072429737 571195171 /nfs/dbraw/zinc/19/51/71/571195171.db2.gz YLYJUXCMEBZUCI-FQEVSTJZSA-N 1 0 353.441 3.782 50 0 FHAARO Cc1sc2ncnc(N[C@H]3CCC[N@H+](Cc4ccccn4)C3)c2c1C ZINC000072434366 571196337 /nfs/dbraw/zinc/19/63/37/571196337.db2.gz HHMNEUHBSVKVDX-INIZCTEOSA-N 1 0 353.495 3.780 50 0 FHAARO O=C(NCCOc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000072437474 571196472 /nfs/dbraw/zinc/19/64/72/571196472.db2.gz AJSSDFWCARZFJB-UHFFFAOYSA-N 1 0 372.896 3.747 50 0 FHAARO Cc1nn2c(nc(C)cc2N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1C ZINC000072475060 571199002 /nfs/dbraw/zinc/19/90/02/571199002.db2.gz DFWMPDJUSBGAFB-UHFFFAOYSA-N 1 0 367.472 3.506 50 0 FHAARO CCCC[NH+]1CCN(C(=O)c2cccc(-c3cccc4ccnn43)c2)CC1 ZINC000534588350 571205332 /nfs/dbraw/zinc/20/53/32/571205332.db2.gz RGQBLDCSVBVMHD-UHFFFAOYSA-N 1 0 362.477 3.559 50 0 FHAARO c1csc(-c2ncc(CN3CCC[C@H](C[NH+]4CCCCC4)C3)cn2)c1 ZINC000077286617 571206098 /nfs/dbraw/zinc/20/60/98/571206098.db2.gz MGTOYSLGFZSLIU-QGZVFWFLSA-N 1 0 356.539 3.903 50 0 FHAARO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(-c3[nH]cnc3-c3ccccc3)c2)C1 ZINC000534642150 571206373 /nfs/dbraw/zinc/20/63/73/571206373.db2.gz STOKXJDMUNWSGC-IBGZPJMESA-N 1 0 360.461 3.520 50 0 FHAARO CCn1cc(-c2ccc(C(=O)NCc3cccc(C[NH+](C)C)c3)cc2)cn1 ZINC000534631895 571206720 /nfs/dbraw/zinc/20/67/20/571206720.db2.gz QVTSIGMGGVDNSX-UHFFFAOYSA-N 1 0 362.477 3.562 50 0 FHAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000077320536 571207265 /nfs/dbraw/zinc/20/72/65/571207265.db2.gz RCGOJGLBFVSDGO-UHFFFAOYSA-N 1 0 363.383 3.761 50 0 FHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC000077338537 571207849 /nfs/dbraw/zinc/20/78/49/571207849.db2.gz DHBIDPUXKBAKSJ-FQEVSTJZSA-N 1 0 352.482 3.716 50 0 FHAARO Cc1ccc(C(=O)CCC[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077407572 571210529 /nfs/dbraw/zinc/21/05/29/571210529.db2.gz MBENZWKGIJRFDM-HSZRJFAPSA-N 1 0 368.521 3.825 50 0 FHAARO CC(C)Oc1ccc2c(NC(=O)C(C)(C)[NH3+])nn(Cc3ccccc3)c2c1 ZINC000077520554 571214567 /nfs/dbraw/zinc/21/45/67/571214567.db2.gz CMAGCKZJNHTBPV-UHFFFAOYSA-N 1 0 366.465 3.548 50 0 FHAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](Cc1ccco1)CC2 ZINC000077553711 571215302 /nfs/dbraw/zinc/21/53/02/571215302.db2.gz WYGIIQMVTPGQKX-UHFFFAOYSA-N 1 0 358.869 3.948 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2ccc(OC)cc2OC)cc1 ZINC000426361849 571215742 /nfs/dbraw/zinc/21/57/42/571215742.db2.gz XEACCGYHSAXRBV-SFHVURJKSA-N 1 0 368.477 3.585 50 0 FHAARO CCOc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)ccc1OC ZINC000072273507 571217740 /nfs/dbraw/zinc/21/77/40/571217740.db2.gz IDAOSINJHFJTNL-LJQANCHMSA-N 1 0 374.525 3.868 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc(-c3cccc(CO)c3)c2)C1 ZINC000426434789 571225103 /nfs/dbraw/zinc/22/51/03/571225103.db2.gz BTHMWSBWAIVACG-QGZVFWFLSA-N 1 0 364.489 3.545 50 0 FHAARO CC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(Sc3ccc(C)cc3)CC2)C1 ZINC000426442548 571225768 /nfs/dbraw/zinc/22/57/68/571225768.db2.gz NEKYYDCDHKVZIJ-KRWDZBQOSA-N 1 0 361.555 3.603 50 0 FHAARO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(-c2ccsc2)cc1 ZINC000426479608 571227546 /nfs/dbraw/zinc/22/75/46/571227546.db2.gz BIQPIZUHCWWLKO-HXUWFJFHSA-N 1 0 370.518 3.788 50 0 FHAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccoc3)C2)CN1CCc1ccccc1 ZINC000082091263 571227847 /nfs/dbraw/zinc/22/78/47/571227847.db2.gz BGNKXPMYGNNLFA-JOCHJYFZSA-N 1 0 352.478 3.727 50 0 FHAARO [NH3+][C@H]1CCCCN(Cc2cc(-c3ccccc3OC(F)(F)F)no2)C1 ZINC000082087907 571227871 /nfs/dbraw/zinc/22/78/71/571227871.db2.gz DVTBXKNHMFETPS-LBPRGKRZSA-N 1 0 355.360 3.553 50 0 FHAARO CO[C@]12CC[N@H+](CCc3ccccc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426515474 571229568 /nfs/dbraw/zinc/22/95/68/571229568.db2.gz DGXFPOSKOJUOGG-JAXLGGSGSA-N 1 0 352.478 3.715 50 0 FHAARO CCc1n[nH]c2c1CN(C(=O)c1cccc(C[NH+]3CCCCCC3)c1)CC2 ZINC000426517545 571229721 /nfs/dbraw/zinc/22/97/21/571229721.db2.gz GSWINBSFLDOEIS-UHFFFAOYSA-N 1 0 366.509 3.547 50 0 FHAARO [NH3+]CCOc1cccc(CC(=O)N2CCCCC[C@H]2c2cccc(F)c2)c1 ZINC000426528158 571230407 /nfs/dbraw/zinc/23/04/07/571230407.db2.gz YOKKGOGMSMUPTA-NRFANRHFSA-N 1 0 370.468 3.850 50 0 FHAARO O=C(c1ccc(-c2cccc(F)c2F)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000426563471 571231821 /nfs/dbraw/zinc/23/18/21/571231821.db2.gz OWXRUHCVKKDLEL-KRWDZBQOSA-N 1 0 356.416 3.942 50 0 FHAARO CN(CC[NH+]1CCCC1)C(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000426574878 571232073 /nfs/dbraw/zinc/23/20/73/571232073.db2.gz JSEREJCEAJOFEZ-IBGZPJMESA-N 1 0 372.900 3.562 50 0 FHAARO CO[C@]12CC[N@H+](Cc3ccc(Cl)cc3Cl)[C@H]1C[C@H](OCCO)CC2 ZINC000426588951 571232589 /nfs/dbraw/zinc/23/25/89/571232589.db2.gz JIPPATLWMYTYGN-BPQIPLTHSA-N 1 0 374.308 3.514 50 0 FHAARO O=C(NCCc1c[nH]cn1)c1cccc(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000426634014 571234010 /nfs/dbraw/zinc/23/40/10/571234010.db2.gz SHABVRKJEQLIPZ-UHFFFAOYSA-N 1 0 374.488 3.645 50 0 FHAARO O=C1NC2(CCCCC2)N=C2[C@H]3CCC[C@@]12C[N@H+](Cc1ccccc1)C3 ZINC000585152519 571235200 /nfs/dbraw/zinc/23/52/00/571235200.db2.gz WZRTWUHXKJHGRF-RXVVDRJESA-N 1 0 351.494 3.520 50 0 FHAARO CN(CCC[NH+](C)C)C(=O)c1cccc(-c2ccc3cc[nH]c(=O)c3c2)c1 ZINC000426698238 571235525 /nfs/dbraw/zinc/23/55/25/571235525.db2.gz LNXVJHYBWNEVRG-UHFFFAOYSA-N 1 0 363.461 3.631 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(-c3ccc4[nH]cnc4c3)cc2)C1 ZINC000426712021 571236241 /nfs/dbraw/zinc/23/62/41/571236241.db2.gz JVVRAYLJENMDIM-MRXNPFEDSA-N 1 0 374.488 3.929 50 0 FHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000426372368 571237671 /nfs/dbraw/zinc/23/76/71/571237671.db2.gz TZTLHTZHJCFGHA-SFHVURJKSA-N 1 0 362.477 3.786 50 0 FHAARO Cn1nc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)cc1-c1ccccc1 ZINC000091254534 571238515 /nfs/dbraw/zinc/23/85/15/571238515.db2.gz VBFOEMOORBMLGW-IBGZPJMESA-N 1 0 366.509 3.568 50 0 FHAARO CSc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cc1 ZINC000091305451 571238869 /nfs/dbraw/zinc/23/88/69/571238869.db2.gz AZXXBEZFQDNRNH-PKOBYXMFSA-N 1 0 367.518 3.540 50 0 FHAARO CCCN1CCC[C@@]2(CC[N@H+](Cc3cc(-c4ccc(C)cc4)no3)C2)C1=O ZINC000091326737 571239000 /nfs/dbraw/zinc/23/90/00/571239000.db2.gz OHBRDWMTWBEYPQ-QFIPXVFZSA-N 1 0 367.493 3.875 50 0 FHAARO CC(=O)c1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000091563269 571240654 /nfs/dbraw/zinc/24/06/54/571240654.db2.gz GQHDKWQEKLZRMY-SIKLNZKXSA-N 1 0 362.473 3.626 50 0 FHAARO COc1ccc(C[N@@H+](Cc2cccc(C)c2)C[C@H](O)COC(C)C)cc1 ZINC000036095318 571240828 /nfs/dbraw/zinc/24/08/28/571240828.db2.gz ZVDQGJRRDAIZDP-NRFANRHFSA-N 1 0 357.494 3.792 50 0 FHAARO CC[C@@H](C)[N@@H+](Cc1cccn1C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036098151 571241053 /nfs/dbraw/zinc/24/10/53/571241053.db2.gz AAQZKWCVEUMXET-QAPCUYQASA-N 1 0 350.890 3.719 50 0 FHAARO Cc1c(C(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)[nH]nc1-c1ccc(Cl)cc1 ZINC000091594356 571241101 /nfs/dbraw/zinc/24/11/01/571241101.db2.gz ONSWAHBUYSUHHA-ZDUSSCGKSA-N 1 0 372.900 3.737 50 0 FHAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(CC)cn1)CC2 ZINC000091625337 571241503 /nfs/dbraw/zinc/24/15/03/571241503.db2.gz HWFXIKAWSIUUKS-UHFFFAOYSA-N 1 0 367.541 3.517 50 0 FHAARO Cc1cccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@@H]2CCCO2)c1 ZINC000036100655 571241588 /nfs/dbraw/zinc/24/15/88/571241588.db2.gz OTZUCQPIWAZSJB-VXKWHMMOSA-N 1 0 369.505 3.724 50 0 FHAARO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2C)CC(C)C)cc1 ZINC000036099832 571241658 /nfs/dbraw/zinc/24/16/58/571241658.db2.gz QHPKBIITPMCNNZ-HXUWFJFHSA-N 1 0 357.494 3.902 50 0 FHAARO C[N@@H+]1CCCN(C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000091657199 571242085 /nfs/dbraw/zinc/24/20/85/571242085.db2.gz BHAIPSUMRDFYKY-UHFFFAOYSA-N 1 0 369.412 3.607 50 0 FHAARO CCn1ccc2cc(C[N@@H+]3CC[C@]4(C3)CCCN(CC3CC3)C4=O)ccc21 ZINC000091677669 571242368 /nfs/dbraw/zinc/24/23/68/571242368.db2.gz QBAUONANDVEPOR-QHCPKHFHSA-N 1 0 365.521 3.886 50 0 FHAARO CCN1C[C@@]2(CCC[N@H+](Cc3cncn3C3CCCCC3)C2)CCC1=O ZINC000091713415 571242733 /nfs/dbraw/zinc/24/27/33/571242733.db2.gz BQVGPAKXYDRDAV-NRFANRHFSA-N 1 0 358.530 3.613 50 0 FHAARO CCn1c(C)cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1C ZINC000091725281 571242952 /nfs/dbraw/zinc/24/29/52/571242952.db2.gz IXCZLLNSCWDDKX-NHCUHLMSSA-N 1 0 365.521 3.861 50 0 FHAARO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cc1 ZINC000006784419 571246343 /nfs/dbraw/zinc/24/63/43/571246343.db2.gz QWYVCLZOFADHKF-NRFANRHFSA-N 1 0 372.534 3.891 50 0 FHAARO Cc1cccc(C2=NN(C(=O)CN3CCCC3)[C@@H](c3ccccc3F)C2)c1 ZINC000036345441 571248519 /nfs/dbraw/zinc/24/85/19/571248519.db2.gz QWMIRUMINBANOO-OAQYLSRUSA-N 1 0 365.452 3.908 50 0 FHAARO CCN(C(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1)C1=CCCCC1 ZINC000036391985 571252679 /nfs/dbraw/zinc/25/26/79/571252679.db2.gz NJYPRHAULWFPNE-QGZVFWFLSA-N 1 0 367.497 3.567 50 0 FHAARO CN([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000006936155 571255278 /nfs/dbraw/zinc/25/52/78/571255278.db2.gz BWOUGFHYOSCTRB-FQEVSTJZSA-N 1 0 355.457 3.532 50 0 FHAARO CC[NH+]1CCN(c2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)CC1 ZINC000036618611 571258182 /nfs/dbraw/zinc/25/81/82/571258182.db2.gz OPVCXBMMDWVDOC-UHFFFAOYSA-N 1 0 352.816 3.877 50 0 FHAARO COc1ccc([C@H](NC(=O)C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000007424416 571265323 /nfs/dbraw/zinc/26/53/23/571265323.db2.gz OPMPDPRHOQSZED-JOCHJYFZSA-N 1 0 352.478 3.777 50 0 FHAARO CC(C)(C)C[N@H+](CCCO)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000170591393 571265932 /nfs/dbraw/zinc/26/59/32/571265932.db2.gz YFGCFYDJGINKRL-UHFFFAOYSA-N 1 0 356.551 3.754 50 0 FHAARO Cn1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2ccc(Cl)cc21 ZINC000170613631 571268002 /nfs/dbraw/zinc/26/80/02/571268002.db2.gz QDNICQCLJISVMO-RDJZCZTQSA-N 1 0 359.901 3.826 50 0 FHAARO CN(Cc1ccc(Br)cc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000170614525 571268130 /nfs/dbraw/zinc/26/81/30/571268130.db2.gz JNACFHOFUWZZFH-INIZCTEOSA-N 1 0 353.304 3.672 50 0 FHAARO CCc1cc2oc(=O)cc(COC(=O)[C@@H](C(C)C)[NH+](C)C)c2cc1Cl ZINC000170616600 571268351 /nfs/dbraw/zinc/26/83/51/571268351.db2.gz XJTVAKXYFJXNAV-GOSISDBHSA-N 1 0 365.857 3.638 50 0 FHAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000237531843 571277271 /nfs/dbraw/zinc/27/72/71/571277271.db2.gz DNQSOZUPVQNPIV-GJZGRUSLSA-N 1 0 366.490 3.553 50 0 FHAARO C[C@@H]1Cc2ccc(Br)cc2[C@@H]1[NH2+]CCCOC[C@@H]1CCOC1 ZINC000095451030 571329896 /nfs/dbraw/zinc/32/98/96/571329896.db2.gz INOYTRZJPUSKDE-QWQRMKEZSA-N 1 0 368.315 3.715 50 0 FHAARO Cc1ccc2nc(CN[C@H](c3cccs3)c3ccccc3)cc(=O)n2c1 ZINC000007924455 571294313 /nfs/dbraw/zinc/29/43/13/571294313.db2.gz BEUFEWSAFOVRGO-NRFANRHFSA-N 1 0 361.470 3.944 50 0 FHAARO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000479454418 571322319 /nfs/dbraw/zinc/32/23/19/571322319.db2.gz OITSOSMFQKIRQD-HXUWFJFHSA-N 1 0 363.509 3.898 50 0 FHAARO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000080027595 571328600 /nfs/dbraw/zinc/32/86/00/571328600.db2.gz OOGJIGNGPCFJTA-HUUCEWRRSA-N 1 0 355.482 3.569 50 0 FHAARO COc1ccc(CC[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1OC ZINC000095407041 571329317 /nfs/dbraw/zinc/32/93/17/571329317.db2.gz SAWRYBBRTMXXEP-PXNSSMCTSA-N 1 0 354.494 3.671 50 0 FHAARO COc1ccc([C@H](CNc2ccc(Br)c(C)n2)[NH+](C)C)cc1 ZINC000095460586 571330204 /nfs/dbraw/zinc/33/02/04/571330204.db2.gz QDIGNZSXZPRGLX-INIZCTEOSA-N 1 0 364.287 3.876 50 0 FHAARO COCC[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1Cn1cccn1 ZINC000095967195 571333185 /nfs/dbraw/zinc/33/31/85/571333185.db2.gz VFKLVTWJBZYCCR-QFIPXVFZSA-N 1 0 367.468 3.808 50 0 FHAARO C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000095995887 571333650 /nfs/dbraw/zinc/33/36/50/571333650.db2.gz PFOMGEWYUKZWKV-YVEFUNNKSA-N 1 0 371.308 3.894 50 0 FHAARO C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000096006931 571333802 /nfs/dbraw/zinc/33/38/02/571333802.db2.gz RDSJKCWLSCPGKM-PWSUYJOCSA-N 1 0 353.816 3.777 50 0 FHAARO O=C(CCSc1ccccc1)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225569907 571337222 /nfs/dbraw/zinc/33/72/22/571337222.db2.gz YUPMFXIKMZFOLK-QGZVFWFLSA-N 1 0 364.580 3.503 50 0 FHAARO COc1cccc(C[N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000002631886 571339644 /nfs/dbraw/zinc/33/96/44/571339644.db2.gz MWCKTMHFLWUHMI-OAHLLOKOSA-N 1 0 370.276 3.874 50 0 FHAARO COc1ccc(NC(=S)N2CCC([N@H+](C)C(C)C)CC2)cc1Cl ZINC000003042008 571344013 /nfs/dbraw/zinc/34/40/13/571344013.db2.gz WHXOESNICKOOOU-UHFFFAOYSA-N 1 0 355.935 3.850 50 0 FHAARO C[C@H](c1ccco1)N(CC[NH+](C)C)C(=S)Nc1cc(F)cc(F)c1 ZINC000003047147 571344039 /nfs/dbraw/zinc/34/40/39/571344039.db2.gz TZOLSMURIRWNFV-GFCCVEGCSA-N 1 0 353.438 3.879 50 0 FHAARO COc1ccc(N2c3cccc[n+]3C[C@@]2(O)Cc2ccc(Cl)cc2)cc1 ZINC000003197280 571345375 /nfs/dbraw/zinc/34/53/75/571345375.db2.gz FWXCXYMAEJTHFO-NRFANRHFSA-N 1 0 367.856 3.719 50 0 FHAARO CCOc1ccc(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000003314413 571347159 /nfs/dbraw/zinc/34/71/59/571347159.db2.gz JYGHQMDQLLQMSN-UHFFFAOYSA-N 1 0 358.526 3.933 50 0 FHAARO CCN(CC[NH2+]C[C@@H](O)COc1ccccc1C(C)C)c1cccc(C)c1 ZINC000003349427 571347990 /nfs/dbraw/zinc/34/79/90/571347990.db2.gz PMGIEVRUTMTUOI-OAQYLSRUSA-N 1 0 370.537 3.974 50 0 FHAARO COc1ccccc1[C@@H](CNC(=S)NC1CCCCC1)[NH+]1CCCC1 ZINC000003351571 571348196 /nfs/dbraw/zinc/34/81/96/571348196.db2.gz FCPHBKZXAGAZGV-GOSISDBHSA-N 1 0 361.555 3.629 50 0 FHAARO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000003414470 571349269 /nfs/dbraw/zinc/34/92/69/571349269.db2.gz UHMRZPDSHNJHAN-HNNXBMFYSA-N 1 0 353.466 3.666 50 0 FHAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000670444250 571350143 /nfs/dbraw/zinc/35/01/43/571350143.db2.gz DUVUFTBFXQKEBH-GOSISDBHSA-N 1 0 361.489 3.625 50 0 FHAARO COc1ccc(-c2csc3nc(SCC[NH+](C)C)nc(N)c23)cc1 ZINC000031815833 571353892 /nfs/dbraw/zinc/35/38/92/571353892.db2.gz ZUWVVIRFCUJAPI-UHFFFAOYSA-N 1 0 360.508 3.603 50 0 FHAARO COc1ccc(N2C[C@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCCC3)cc1 ZINC000004086871 571355004 /nfs/dbraw/zinc/35/50/04/571355004.db2.gz MKOZJRHQPHBRMC-NRFANRHFSA-N 1 0 371.888 3.999 50 0 FHAARO COc1ccc(N2C[C@@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCCC3)cc1 ZINC000004086870 571355013 /nfs/dbraw/zinc/35/50/13/571355013.db2.gz MKOZJRHQPHBRMC-OAQYLSRUSA-N 1 0 371.888 3.999 50 0 FHAARO COc1ccc([C@H](CNC(=O)Cc2ccc3ccccc3c2)[NH+](C)C)cc1 ZINC000007987132 571358155 /nfs/dbraw/zinc/35/81/55/571358155.db2.gz XSLCXLFZWSRXND-QFIPXVFZSA-N 1 0 362.473 3.810 50 0 FHAARO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120628945 929138855 /nfs/dbraw/zinc/13/88/55/929138855.db2.gz MNSUAMXQNWAPAA-MRXNPFEDSA-N 1 0 374.488 3.720 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccncc1Cl ZINC000161649054 937343832 /nfs/dbraw/zinc/34/38/32/937343832.db2.gz DLIIMJMKUOHMGI-INIZCTEOSA-N 1 0 373.884 3.567 50 0 FHAARO C[NH+]1CCC(Cc2nc(CCc3cccnc3)n(C3CCCCC3)n2)CC1 ZINC000095386792 939180955 /nfs/dbraw/zinc/18/09/55/939180955.db2.gz XIFGAIWLEVSPBF-UHFFFAOYSA-N 1 0 367.541 3.848 50 0 FHAARO OC1(c2ccc(Br)cc2)CC[NH+](Cc2ccsc2)CC1 ZINC000023283528 940008785 /nfs/dbraw/zinc/00/87/85/940008785.db2.gz VBVSAZQQXQLMAY-UHFFFAOYSA-N 1 0 352.297 3.994 50 0 FHAARO Cc1c2cc(Cl)ccc2[nH]c1CN1CC[N@@H+](CC(C)C)[C@@H](CCO)C1 ZINC000023373106 940296360 /nfs/dbraw/zinc/29/63/60/940296360.db2.gz BGLAGLJDATUVLB-KRWDZBQOSA-N 1 0 363.933 3.654 50 0 FHAARO Cn1cc(C[N@H+](C)C[C@H](O)c2ccccc2)c(-c2cccc(Cl)c2)n1 ZINC000020211732 941878530 /nfs/dbraw/zinc/87/85/30/941878530.db2.gz XJUSDJCMVPRLSF-IBGZPJMESA-N 1 0 355.869 3.906 50 0 FHAARO NC(=O)c1csc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000119917540 942103411 /nfs/dbraw/zinc/10/34/11/942103411.db2.gz ZKHXSZODIJWUHI-UHFFFAOYSA-N 1 0 355.438 3.757 50 0 FHAARO C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)Cc1ccc2c(c1)OCO2 ZINC000120052301 942162943 /nfs/dbraw/zinc/16/29/43/942162943.db2.gz QKFHEFHFTHNXJN-UHFFFAOYSA-N 1 0 357.360 3.716 50 0 FHAARO Cc1c[nH+]c(C2CCC2)n1CC1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC000257190733 942650479 /nfs/dbraw/zinc/65/04/79/942650479.db2.gz NQKCJURGSAHXGC-UHFFFAOYSA-N 1 0 352.482 3.715 50 0 FHAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1CCc1noc(-c2ccccc2)n1 ZINC000675019142 943626882 /nfs/dbraw/zinc/62/68/82/943626882.db2.gz BGFUKTOOHJERRL-SFHVURJKSA-N 1 0 365.481 3.684 50 0 FHAARO O[C@H](C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)c1cc(F)ccc1F ZINC000120679377 945766968 /nfs/dbraw/zinc/76/69/68/945766968.db2.gz NIYCWORKNOOCSH-LJQANCHMSA-N 1 0 357.404 3.754 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000045463759 946050471 /nfs/dbraw/zinc/05/04/71/946050471.db2.gz NPNVKSVYRLHHQU-UHFFFAOYSA-N 1 0 371.447 3.967 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000045462699 946050814 /nfs/dbraw/zinc/05/08/14/946050814.db2.gz SERVXQDMCOJYGG-HNNXBMFYSA-N 1 0 351.922 3.691 50 0 FHAARO COc1ccc(Cl)cc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262094720 947554760 /nfs/dbraw/zinc/55/47/60/947554760.db2.gz SERUYOMCRKKUGJ-UHFFFAOYSA-N 1 0 351.859 3.524 50 0 FHAARO CCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000888088956 948010630 /nfs/dbraw/zinc/01/06/30/948010630.db2.gz ZPKLFHBHWFCNOP-CRAIPNDOSA-N 1 0 372.538 3.865 50 0 FHAARO COc1ccc(N(Cc2cccs2)C(=O)C[C@@H]2CC[NH2+]C[C@H]2F)cc1 ZINC000888101555 948443946 /nfs/dbraw/zinc/44/39/46/948443946.db2.gz INDAKBXFZRWNLH-KBXCAEBGSA-N 1 0 362.470 3.628 50 0 FHAARO CN(C)c1nc2cc(Cl)ccc2cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000299796538 529804496 /nfs/dbraw/zinc/80/44/96/529804496.db2.gz PDNNKZVSJARUDF-UHFFFAOYSA-N 1 0 369.852 3.973 50 0 FHAARO C[NH2+]CCN(C)C(=O)c1cccc(-c2cc(C)c3cccc(OC)c3n2)c1 ZINC000299780649 529973384 /nfs/dbraw/zinc/97/33/84/529973384.db2.gz UGICWNFSUDRGOX-UHFFFAOYSA-N 1 0 363.461 3.510 50 0 FHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3Cc1ccc(OC)c(OC)c1 ZINC000000622003 219305625 /nfs/dbraw/zinc/30/56/25/219305625.db2.gz CSBAVYNEVHLVAF-SFHVURJKSA-N 1 0 352.434 3.623 50 0 FHAARO CN(C)C(=O)Oc1cccc(-c2c[n+]3cc(C(F)(F)F)ccc3n2C)c1 ZINC000000633461 219307885 /nfs/dbraw/zinc/30/78/85/219307885.db2.gz GJXKNVXEVPLTOJ-UHFFFAOYSA-N 1 0 364.347 3.510 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)cc1OC)[NH2+]CC2 ZINC000000719040 219317181 /nfs/dbraw/zinc/31/71/81/219317181.db2.gz IWFAKKQEWNYNRB-OAQYLSRUSA-N 1 0 357.450 3.736 50 0 biogenic,in-vitro FHAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]C1CCCCC1)CCCC2 ZINC000000754201 219318234 /nfs/dbraw/zinc/31/82/34/219318234.db2.gz DFCDBBROKLUYOF-UHFFFAOYSA-N 1 0 364.511 3.664 50 0 FHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000000755543 219319065 /nfs/dbraw/zinc/31/90/65/219319065.db2.gz PYOUTBBZYWMAGO-OAHLLOKOSA-N 1 0 353.304 3.530 50 0 FHAARO CC1(C)CC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC(C)(C)[NH2+]1 ZINC000000802672 219323867 /nfs/dbraw/zinc/32/38/67/219323867.db2.gz XXHWPRYJRFBKRM-UHFFFAOYSA-N 1 0 365.326 3.581 50 0 FHAARO COc1cc(C(=O)CC[N@@H+]2CC[C@@H](c3ccccc3)C2)cc(OC)c1OC ZINC000000889998 219336299 /nfs/dbraw/zinc/33/62/99/219336299.db2.gz CBHGHNQKXANTGW-QGZVFWFLSA-N 1 0 369.461 3.775 50 0 FHAARO CCC[C@H]1CO[C@@](C[n+]2cn(CC)cn2)(c2ccc(Cl)cc2Cl)O1 ZINC000000896416 219337638 /nfs/dbraw/zinc/33/76/38/219337638.db2.gz ZMIUUEUCMUEWIG-WMLDXEAASA-N 1 0 371.288 3.566 50 0 FHAARO COc1ccc2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n(C)c2c1 ZINC000253408218 222984830 /nfs/dbraw/zinc/98/48/30/222984830.db2.gz KNAYXGKHAXKSAB-PKOBYXMFSA-N 1 0 369.509 3.523 50 0 FHAARO CC[NH+](CC)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000005578606 219690696 /nfs/dbraw/zinc/69/06/96/219690696.db2.gz ANESEFKGCBUFHJ-UHFFFAOYSA-N 1 0 362.477 3.611 50 0 FHAARO Cc1cc(-c2cccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)c2)c2ccccc2n1 ZINC000299758488 223083804 /nfs/dbraw/zinc/08/38/04/223083804.db2.gz NVFHWIRAVPGRPK-PGRDOPGGSA-N 1 0 357.457 3.644 50 0 FHAARO CCc1oc(C(=O)N[C@@H](C)Cc2cccc(C)n2)cc1C[NH+]1CCCC1 ZINC000299767508 223087383 /nfs/dbraw/zinc/08/73/83/223087383.db2.gz HGEQARWQYMDWDV-INIZCTEOSA-N 1 0 355.482 3.502 50 0 FHAARO Cc1nnc(CCNC(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3C)c2)s1 ZINC000299775352 223090135 /nfs/dbraw/zinc/09/01/35/223090135.db2.gz BKHVGCAPUQROMR-CQSZACIVSA-N 1 0 373.526 3.585 50 0 FHAARO O=C(NCCc1ccc(F)cc1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299792170 223099186 /nfs/dbraw/zinc/09/91/86/223099186.db2.gz DYXZESVADVIYFD-HBMCJLEFSA-N 1 0 352.453 3.710 50 0 FHAARO CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccc(CC(C)C)cc3)CC2)O1 ZINC000012040842 219949134 /nfs/dbraw/zinc/94/91/34/219949134.db2.gz XNBTYASBSLMYQH-OAQYLSRUSA-N 1 0 358.526 3.535 50 0 FHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cccc2)cc1 ZINC000012523036 220003381 /nfs/dbraw/zinc/00/33/81/220003381.db2.gz SQDJOTMQEOAUNA-UHFFFAOYSA-N 1 0 359.473 3.872 50 0 FHAARO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012543501 220005043 /nfs/dbraw/zinc/00/50/43/220005043.db2.gz JPEYBTUTQDQPGR-HXUWFJFHSA-N 1 0 373.500 3.785 50 0 FHAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(O)CC2)c1 ZINC000012596021 220011412 /nfs/dbraw/zinc/01/14/12/220011412.db2.gz BZLVHMRKSZSRHU-UHFFFAOYSA-N 1 0 363.461 3.505 50 0 FHAARO CCOC(=O)C1(CCOC)CC[NH+](Cc2[nH]c3c(cccc3C)c2C)CC1 ZINC000012701816 220017548 /nfs/dbraw/zinc/01/75/48/220017548.db2.gz CFBVVJCMVMWYAT-UHFFFAOYSA-N 1 0 372.509 3.967 50 0 FHAARO CC(=O)c1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000012701703 220018188 /nfs/dbraw/zinc/01/81/88/220018188.db2.gz CBOUHSBNVLIMDE-QFIPXVFZSA-N 1 0 364.489 3.668 50 0 FHAARO Fc1ccccc1-c1cnnc(NCC2([NH+]3CCCCC3)CCCC2)n1 ZINC000012708839 220020300 /nfs/dbraw/zinc/02/03/00/220020300.db2.gz SMKSLMSNLIMRQN-UHFFFAOYSA-N 1 0 355.461 3.888 50 0 FHAARO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000012744878 220023725 /nfs/dbraw/zinc/02/37/25/220023725.db2.gz URYNHLLTRYXUGR-JOCHJYFZSA-N 1 0 367.468 3.657 50 0 FHAARO CC(C)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000012751469 220024319 /nfs/dbraw/zinc/02/43/19/220024319.db2.gz DPFWUYMXHYMRFZ-KSSFIOAISA-N 1 0 366.465 3.560 50 0 FHAARO COC(=O)c1ccc(C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000012751168 220024924 /nfs/dbraw/zinc/02/49/24/220024924.db2.gz RZUFHUOXBRUAGP-UHFFFAOYSA-N 1 0 367.445 3.577 50 0 FHAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)[C@@H]2CC23CCC3)cc1 ZINC000012758508 220025558 /nfs/dbraw/zinc/02/55/58/220025558.db2.gz PAPDMYPIPVTBFV-NRFANRHFSA-N 1 0 370.537 3.598 50 0 FHAARO CCC(CC)[C@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)[NH+](C)C ZINC000012811655 220033122 /nfs/dbraw/zinc/03/31/22/220033122.db2.gz ITTXFHRLZBMZNT-KRWDZBQOSA-N 1 0 362.905 3.664 50 0 FHAARO COc1ccc(CCC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000012836153 220034681 /nfs/dbraw/zinc/03/46/81/220034681.db2.gz MWTIMUPQHSYUMP-OAQYLSRUSA-N 1 0 366.505 3.751 50 0 FHAARO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C[NH+]1CCC(C)CC1 ZINC000012910173 220042063 /nfs/dbraw/zinc/04/20/63/220042063.db2.gz KQSPNAOXSGHFOE-SFHVURJKSA-N 1 0 373.541 3.601 50 0 FHAARO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(C)cc1)c1cccc(OC)c1 ZINC000013008848 220052494 /nfs/dbraw/zinc/05/24/94/220052494.db2.gz FHCGFGVURDNPTI-OAQYLSRUSA-N 1 0 354.494 3.745 50 0 FHAARO COc1ccc([C@@H](CNC(=S)NC2CCCCC2)[NH+]2CCCC2)cc1 ZINC000013042397 220056583 /nfs/dbraw/zinc/05/65/83/220056583.db2.gz VCJVQENYTPFXDN-LJQANCHMSA-N 1 0 361.555 3.629 50 0 FHAARO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000013727912 220090570 /nfs/dbraw/zinc/09/05/70/220090570.db2.gz YVHMWECLXQMEIL-UHFFFAOYSA-N 1 0 350.821 3.841 50 0 FHAARO COc1cccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000014083236 220105119 /nfs/dbraw/zinc/10/51/19/220105119.db2.gz IWAJUINAUHRYKM-UHFFFAOYSA-N 1 0 363.461 3.995 50 0 FHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(=O)c2ccccc2o1 ZINC000014184430 220115077 /nfs/dbraw/zinc/11/50/77/220115077.db2.gz NQAXZVKRJNYYMY-UHFFFAOYSA-N 1 0 364.445 3.565 50 0 FHAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000014254280 220121253 /nfs/dbraw/zinc/12/12/53/220121253.db2.gz BQTUGBMVHLJYBB-JTQLQIEISA-N 1 0 367.232 3.839 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000014939320 220136108 /nfs/dbraw/zinc/13/61/08/220136108.db2.gz SZGAQAHHLGJBAI-UHFFFAOYSA-N 1 0 352.478 3.721 50 0 FHAARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](C[C@@H]3CC=CCC3)CC2)C1=O ZINC000014748114 220132146 /nfs/dbraw/zinc/13/21/46/220132146.db2.gz OURBQNXEVUGHDD-GOSISDBHSA-N 1 0 361.530 3.508 50 0 FHAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1ccco1 ZINC000014879158 220134049 /nfs/dbraw/zinc/13/40/49/220134049.db2.gz PWXFNQDEWQPHIJ-UHFFFAOYSA-N 1 0 364.445 3.703 50 0 FHAARO Cc1cc2nc(N3CCC[N@H+](Cc4cccnc4)CC3)nc(C)c2cc1C ZINC000014880071 220134262 /nfs/dbraw/zinc/13/42/62/220134262.db2.gz SUJJOJMPZQWBIS-UHFFFAOYSA-N 1 0 361.493 3.662 50 0 FHAARO CSc1ncccc1C(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000014967021 220137467 /nfs/dbraw/zinc/13/74/67/220137467.db2.gz HIPQPUCHYZONPP-GOSISDBHSA-N 1 0 369.534 3.631 50 0 FHAARO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000014977229 220138285 /nfs/dbraw/zinc/13/82/85/220138285.db2.gz RVEHPAYRAHBUDY-SFHVURJKSA-N 1 0 373.880 3.806 50 0 FHAARO O=C1CC[N@@H+](Cc2cc3ccccc3[nH]2)CCN1Cc1ccccc1F ZINC000014983803 220138557 /nfs/dbraw/zinc/13/85/57/220138557.db2.gz VSICOWZXCVHXQJ-UHFFFAOYSA-N 1 0 351.425 3.542 50 0 FHAARO c1coc(C[NH2+]Cc2ccc(OCc3ccc4c(c3)OCCO4)cc2)c1 ZINC000015084575 220146969 /nfs/dbraw/zinc/14/69/69/220146969.db2.gz ONZHKZJJXOPJPX-UHFFFAOYSA-N 1 0 351.402 3.920 50 0 FHAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1Br ZINC000015225216 220148983 /nfs/dbraw/zinc/14/89/83/220148983.db2.gz PMZBYYOEWUUODT-BBRMVZONSA-N 1 0 352.272 3.870 50 0 FHAARO COC(=O)CC[C@@H](C)[N@@H+]1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000015065664 220143829 /nfs/dbraw/zinc/14/38/29/220143829.db2.gz FYVHEKAAAZTKHS-OAHLLOKOSA-N 1 0 363.461 3.930 50 0 FHAARO CCC[NH+]1CCC(N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)CC1 ZINC000015066472 220143925 /nfs/dbraw/zinc/14/39/25/220143925.db2.gz ZUCNBGXXGJSMES-HXUWFJFHSA-N 1 0 350.510 3.985 50 0 FHAARO CC(=O)Nc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000015581956 220156272 /nfs/dbraw/zinc/15/62/72/220156272.db2.gz UPJSZSAXGPOTEO-UHFFFAOYSA-N 1 0 362.477 3.796 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc3cc(C)ccc3nc2s1 ZINC000015784545 220164839 /nfs/dbraw/zinc/16/48/39/220164839.db2.gz LJGLAYDWFFLJBL-MRXNPFEDSA-N 1 0 353.491 3.972 50 0 FHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc3cc(C)ccc3nc2s1 ZINC000015784547 220165352 /nfs/dbraw/zinc/16/53/52/220165352.db2.gz LJGLAYDWFFLJBL-INIZCTEOSA-N 1 0 353.491 3.972 50 0 FHAARO COc1ccccc1-c1noc2ncnc(NCCC[NH+]3CCCCC3)c21 ZINC000015822008 220166213 /nfs/dbraw/zinc/16/62/13/220166213.db2.gz BVNKSUMHTKTKPD-UHFFFAOYSA-N 1 0 367.453 3.581 50 0 FHAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)[NH+]2CCCC2)o1 ZINC000015860241 220168550 /nfs/dbraw/zinc/16/85/50/220168550.db2.gz RKZTYTZACDYRHG-MRXNPFEDSA-N 1 0 362.857 3.574 50 0 FHAARO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12 ZINC000016052569 220177074 /nfs/dbraw/zinc/17/70/74/220177074.db2.gz BPNUQXPIQBZCMR-IBGZPJMESA-N 1 0 358.445 3.882 50 0 in-vivo FHAARO Cc1ccccc1O[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016604352 220187342 /nfs/dbraw/zinc/18/73/42/220187342.db2.gz XTCFXHDHCWBMIT-GOSISDBHSA-N 1 0 352.478 3.543 50 0 FHAARO Cc1cc(OC(C)(C)C(=O)NC2CC[NH+](C(C)C)CC2)ccc1Cl ZINC000016603811 220187810 /nfs/dbraw/zinc/18/78/10/220187810.db2.gz DBYYTDSCKUYKBR-UHFFFAOYSA-N 1 0 352.906 3.795 50 0 FHAARO CCOc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(F)cc2)cc1 ZINC000016852097 220195778 /nfs/dbraw/zinc/19/57/78/220195778.db2.gz CQUPXTNMZHFTLZ-JOCHJYFZSA-N 1 0 369.460 3.875 50 0 FHAARO C[C@@H](CSc1nnc(-c2ccncc2)n1-c1ccccc1)C[NH+](C)C ZINC000018196134 220227378 /nfs/dbraw/zinc/22/73/78/220227378.db2.gz QZEAZYITNYMPKI-OAHLLOKOSA-N 1 0 353.495 3.619 50 0 FHAARO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)c2cc(Cl)ccc2o1 ZINC000019371318 220252761 /nfs/dbraw/zinc/25/27/61/220252761.db2.gz ZUFJYRMOVXEQIB-UHFFFAOYSA-N 1 0 368.864 3.764 50 0 FHAARO CC(C)CC[N@@H+]1CCC[C@H]1c1ccc(C(=O)NCCn2ccnc2)s1 ZINC000019743190 220292123 /nfs/dbraw/zinc/29/21/23/220292123.db2.gz UKTSEHPUVGCVRC-INIZCTEOSA-N 1 0 360.527 3.558 50 0 FHAARO Cc1cccc(C)c1N1C(=O)C[C@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)C1=O ZINC000019848336 220300920 /nfs/dbraw/zinc/30/09/20/220300920.db2.gz HNCWJMWXWVNAEF-HJGBXLFDSA-N 1 0 366.505 3.741 50 0 FHAARO Fc1ccc([C@@]2(C[NH2+]Cc3ccc(C(F)(F)F)nc3)CCOC2)cc1 ZINC000020135645 220314183 /nfs/dbraw/zinc/31/41/83/220314183.db2.gz KOONPNOBCRILOH-QGZVFWFLSA-N 1 0 354.347 3.687 50 0 FHAARO O=C1C[C@H]([NH2+]C23CC4CC(CC(C4)C2)C3)C(=O)N1c1cccc(Cl)c1 ZINC000020011058 220308427 /nfs/dbraw/zinc/30/84/27/220308427.db2.gz HUADOTDIDMFKCD-UTNBAMHJSA-N 1 0 358.869 3.530 50 0 FHAARO Fc1ccc(Br)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000020567259 220332940 /nfs/dbraw/zinc/33/29/40/220332940.db2.gz ITFZNTRIAHGNGD-ZDUSSCGKSA-N 1 0 352.203 3.518 50 0 FHAARO CC(C)c1ccc(NC(=S)N2CCN(Cc3cccnc3)CC2)cc1 ZINC000020664472 220337096 /nfs/dbraw/zinc/33/70/96/220337096.db2.gz ZOWULJYNVRBENH-UHFFFAOYSA-N 1 0 354.523 3.720 50 0 FHAARO CCC[NH+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000020595129 220335368 /nfs/dbraw/zinc/33/53/68/220335368.db2.gz QQRMEBAGFONBPZ-UHFFFAOYSA-N 1 0 364.704 3.613 50 0 FHAARO Cc1cc(C)c2oc(=O)cc(CN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000020412431 220326108 /nfs/dbraw/zinc/32/61/08/220326108.db2.gz VREIFCVVBJQDJU-UHFFFAOYSA-N 1 0 362.473 3.728 50 0 FHAARO CCOc1cc2c(cc1OCC)[C@@H](c1cccc(OC)c1OC)[NH2+]CC2 ZINC000020506940 220330701 /nfs/dbraw/zinc/33/07/01/220330701.db2.gz RZDWAUYVPWTZRU-HXUWFJFHSA-N 1 0 357.450 3.736 50 0 FHAARO Cc1ccc(-n2ncc3c2ncnc3NCc2cccnc2)cc1Cl ZINC000020661964 220337655 /nfs/dbraw/zinc/33/76/55/220337655.db2.gz ZQIVRUPZQCCDBI-UHFFFAOYSA-N 1 0 350.813 3.784 50 0 FHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1c[nH]c2ccc(C)cc2c1=O ZINC000021148803 220353542 /nfs/dbraw/zinc/35/35/42/220353542.db2.gz MUWIRVSEYOMSID-INIZCTEOSA-N 1 0 370.497 3.613 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCN(C(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000021718295 220364394 /nfs/dbraw/zinc/36/43/94/220364394.db2.gz NYMDMDOHZZHDDL-CALCHBBNSA-N 1 0 361.505 3.725 50 0 FHAARO C[C@H]1C[C@H](C)C[NH+](CC2CCN(C(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000021718297 220365088 /nfs/dbraw/zinc/36/50/88/220365088.db2.gz NYMDMDOHZZHDDL-IRXDYDNUSA-N 1 0 361.505 3.725 50 0 FHAARO COc1cc(OC)c(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c(OC)c1 ZINC000022024827 220373548 /nfs/dbraw/zinc/37/35/48/220373548.db2.gz WXSMOZTUNBXGQH-SFHVURJKSA-N 1 0 374.481 3.622 50 0 FHAARO CCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000022075939 220377327 /nfs/dbraw/zinc/37/73/27/220377327.db2.gz KRJJMUBBDHCIKO-MRXNPFEDSA-N 1 0 350.256 3.671 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Cc2coc3cc(C)ccc23)[NH+](C)C)cc1 ZINC000022439079 220386811 /nfs/dbraw/zinc/38/68/11/220386811.db2.gz NMDYNPQKOZNQOA-HXUWFJFHSA-N 1 0 366.461 3.711 50 0 FHAARO CCC[NH+]1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000022787103 220398116 /nfs/dbraw/zinc/39/81/16/220398116.db2.gz VKVRSKBKZWRWAQ-HXUWFJFHSA-N 1 0 355.457 3.533 50 0 FHAARO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cccc(Br)c1 ZINC000022793068 220398771 /nfs/dbraw/zinc/39/87/71/220398771.db2.gz FTZQRQNPBKUNJO-UHFFFAOYSA-N 1 0 366.255 3.765 50 0 FHAARO Cc1[nH]c2ccccc2c1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024627483 220454326 /nfs/dbraw/zinc/45/43/26/220454326.db2.gz WCYTWIOYSLOYSD-UHFFFAOYSA-N 1 0 361.489 3.931 50 0 FHAARO COc1ccc(CC[NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)cc1OC ZINC000038538201 220854444 /nfs/dbraw/zinc/85/44/44/220854444.db2.gz FTXNIAGANRGKRW-UHFFFAOYSA-N 1 0 367.445 3.759 50 0 FHAARO Cc1cccc(COc2cccc(C[NH2+]CCCN3CCCC3=O)c2)c1 ZINC000040738225 220920223 /nfs/dbraw/zinc/92/02/23/220920223.db2.gz WVTWTNPBZIHJCX-UHFFFAOYSA-N 1 0 352.478 3.676 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000043075854 220944365 /nfs/dbraw/zinc/94/43/65/220944365.db2.gz HABDGMCOTFTLJP-UHFFFAOYSA-N 1 0 357.420 3.625 50 0 FHAARO Fc1cc(C[NH+]2CCC(COc3ccccc3)CC2)c2c(c1)COCO2 ZINC000055082297 221058182 /nfs/dbraw/zinc/05/81/82/221058182.db2.gz LXZASNIYMLALHJ-UHFFFAOYSA-N 1 0 357.425 3.983 50 0 FHAARO Cc1ccc2nc(CCCNC(=O)CC[NH+]3CCCCCCC3)oc2c1 ZINC000055198982 221061378 /nfs/dbraw/zinc/06/13/78/221061378.db2.gz QYPISRAWYNNRHR-UHFFFAOYSA-N 1 0 357.498 3.841 50 0 FHAARO CC(C)[C@H](C)[N@H+](Cc1ccco1)Cc1cn(CC(N)=O)c2ccccc12 ZINC000055166926 221061626 /nfs/dbraw/zinc/06/16/26/221061626.db2.gz WOIZKVIIMTYYAH-INIZCTEOSA-N 1 0 353.466 3.766 50 0 FHAARO CCN(C/C=C/c1ccccc1)C(=O)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000055270610 221064901 /nfs/dbraw/zinc/06/49/01/221064901.db2.gz BYWCTKBJWLUULC-UFUQCMIWSA-N 1 0 368.477 3.656 50 0 FHAARO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)c1 ZINC000055308279 221065820 /nfs/dbraw/zinc/06/58/20/221065820.db2.gz KXFLNYOSYWVWEC-AWEZNQCLSA-N 1 0 363.870 3.595 50 0 FHAARO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000056172212 221078591 /nfs/dbraw/zinc/07/85/91/221078591.db2.gz KTBCDSDRBRUTJK-HZPDHXFCSA-N 1 0 365.477 3.866 50 0 FHAARO Cc1ccsc1CN(CC[NH+](C)C)Cc1cccc(-n2cccn2)c1 ZINC000055392814 221068332 /nfs/dbraw/zinc/06/83/32/221068332.db2.gz DBSVDIJLFAOIIK-UHFFFAOYSA-N 1 0 354.523 3.806 50 0 FHAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000058164910 221101923 /nfs/dbraw/zinc/10/19/23/221101923.db2.gz XRVNXCDENIJBFY-NOCBQHASSA-N 1 0 356.510 3.678 50 0 FHAARO O=C(NCCc1ccccc1F)C1CC[NH+](CCc2cccs2)CC1 ZINC000058185972 221104702 /nfs/dbraw/zinc/10/47/02/221104702.db2.gz LCOQMCMWCSDJRS-UHFFFAOYSA-N 1 0 360.498 3.501 50 0 FHAARO O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000057413210 221088981 /nfs/dbraw/zinc/08/89/81/221088981.db2.gz RKJNKQLFQBQRRG-UHFFFAOYSA-N 1 0 372.900 3.821 50 0 FHAARO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 ZINC000057475461 221089663 /nfs/dbraw/zinc/08/96/63/221089663.db2.gz OTCVIFWBWHMHMR-AWEZNQCLSA-N 1 0 371.868 3.756 50 0 FHAARO COc1ccc([C@H](CNC(=[NH2+])Nc2ccccc2)N2CCCCC2)cc1 ZINC000057752123 221093329 /nfs/dbraw/zinc/09/33/29/221093329.db2.gz FAFFUVADPHRESY-FQEVSTJZSA-N 1 0 352.482 3.859 50 0 FHAARO O=c1cc(C[NH+](Cc2ccccc2)Cc2ccccc2)nc2ccccn12 ZINC000058019023 221097332 /nfs/dbraw/zinc/09/73/32/221097332.db2.gz UKDSHIPPMGNZLH-UHFFFAOYSA-N 1 0 355.441 3.897 50 0 FHAARO CC(C)c1nccn1Cc1cccc(NC(=O)NCC[C@@H]2CCCO2)c1 ZINC000058087473 221098707 /nfs/dbraw/zinc/09/87/07/221098707.db2.gz CDBRMMIHWQPZDS-SFHVURJKSA-N 1 0 356.470 3.745 50 0 FHAARO CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000058158575 221100408 /nfs/dbraw/zinc/10/04/08/221100408.db2.gz AQMVFPYXMOWFTD-MRXNPFEDSA-N 1 0 361.873 3.836 50 0 FHAARO CC[NH+](CC)Cc1ccccc1NCC(=O)N1CCc2sccc2C1 ZINC000059803386 221127653 /nfs/dbraw/zinc/12/76/53/221127653.db2.gz PACBXRSUUGZHSC-UHFFFAOYSA-N 1 0 357.523 3.587 50 0 FHAARO C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000059856536 221127819 /nfs/dbraw/zinc/12/78/19/221127819.db2.gz SYMCOPKTJJCQNC-QGZVFWFLSA-N 1 0 374.481 3.733 50 0 FHAARO COc1ccc2oc(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)c(C)c2c1 ZINC000060390836 221131462 /nfs/dbraw/zinc/13/14/62/221131462.db2.gz SHOBNRLELMICBU-SFHVURJKSA-N 1 0 370.424 3.922 50 0 FHAARO C[N@@H+](Cc1cccnc1)C[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000058330186 221114750 /nfs/dbraw/zinc/11/47/50/221114750.db2.gz IBSXGVNJGXOFTN-KRWDZBQOSA-N 1 0 356.445 3.597 50 0 FHAARO C/C(=C\C(=O)NC1CC[NH+](Cc2ccccn2)CC1)CCc1ccccc1 ZINC000058407306 221117360 /nfs/dbraw/zinc/11/73/60/221117360.db2.gz MLIUKHVQQWXEMZ-HTXNQAPBSA-N 1 0 363.505 3.741 50 0 FHAARO O=C(c1cccc(-c2ccc(O)cc2)c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000063855598 221144126 /nfs/dbraw/zinc/14/41/26/221144126.db2.gz IKVZGUMTWKFOHJ-UHFFFAOYSA-N 1 0 373.456 3.807 50 0 FHAARO COc1ccc(C[N@H+](CCc2ccccc2)C2CCN(C)CC2)cc1O ZINC000063871408 221144430 /nfs/dbraw/zinc/14/44/30/221144430.db2.gz SDFYZKKSMLCYGX-UHFFFAOYSA-N 1 0 354.494 3.540 50 0 FHAARO CCOc1ccc(C[N@H+](CC)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000064590918 221149123 /nfs/dbraw/zinc/14/91/23/221149123.db2.gz YCMAFZNICQBKCU-UHFFFAOYSA-N 1 0 371.868 3.769 50 0 FHAARO CCO[C@@H](c1ccc(Br)cc1)[C@@H]([NH2+]C)C(=O)c1ccccc1 ZINC000061868583 221135680 /nfs/dbraw/zinc/13/56/80/221135680.db2.gz HXBYRMFPYAGPJO-WMZOPIPTSA-N 1 0 362.267 3.998 50 0 FHAARO O=C(CCc1conc1-c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065213322 221180212 /nfs/dbraw/zinc/18/02/12/221180212.db2.gz LSHMYNXCDKQJBX-UHFFFAOYSA-N 1 0 367.493 3.751 50 0 FHAARO C[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000065298515 221197226 /nfs/dbraw/zinc/19/72/26/221197226.db2.gz UBCFVDLEFOEVGS-SFHVURJKSA-N 1 0 369.896 3.991 50 0 FHAARO C[C@H](COc1ccccc1)[NH2+]C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000065398417 221212217 /nfs/dbraw/zinc/21/22/17/221212217.db2.gz JGCVYCCCIKXDGK-QGZVFWFLSA-N 1 0 353.466 3.740 50 0 FHAARO CCOC(=O)N1CCC([NH2+][C@@H](c2cccnc2)c2ccc(C)c(C)c2)CC1 ZINC000065407393 221214690 /nfs/dbraw/zinc/21/46/90/221214690.db2.gz UHFXKAATVRAQMY-OAQYLSRUSA-N 1 0 367.493 3.998 50 0 FHAARO COc1ccc(-c2c(-c3ccccc3)ncn2CCCO)cc1C[NH+](C)C ZINC000065406597 221215095 /nfs/dbraw/zinc/21/50/95/221215095.db2.gz UGENEMSTTDESRU-UHFFFAOYSA-N 1 0 365.477 3.670 50 0 FHAARO Cc1cccc(C(C)C)c1NC(=O)C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000065421147 221217045 /nfs/dbraw/zinc/21/70/45/221217045.db2.gz ATBKZXHKMKIWRW-FQEVSTJZSA-N 1 0 352.478 3.961 50 0 FHAARO O=C(Nc1nncs1)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000065423070 221217507 /nfs/dbraw/zinc/21/75/07/221217507.db2.gz XNUKQNYCFFGINX-QGZVFWFLSA-N 1 0 365.462 3.523 50 0 FHAARO Cc1ccc(Cl)c(OCC[NH+]2CCC([C@H](O)c3cccnc3)CC2)c1 ZINC000065456787 221221481 /nfs/dbraw/zinc/22/14/81/221221481.db2.gz JLBNXAZBXVYERE-FQEVSTJZSA-N 1 0 360.885 3.868 50 0 FHAARO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1 ZINC000065474291 221224537 /nfs/dbraw/zinc/22/45/37/221224537.db2.gz UVWAGJFXUKECPU-INIZCTEOSA-N 1 0 372.538 3.777 50 0 FHAARO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC000065513921 221229082 /nfs/dbraw/zinc/22/90/82/221229082.db2.gz ZBUGEDCIGQBLSB-HRAATJIYSA-N 1 0 374.529 3.913 50 0 FHAARO COc1cccc([C@@H]2CC[N@H+](Cc3cn(C)c4ccccc34)C[C@H]2O)c1 ZINC000065525817 221229504 /nfs/dbraw/zinc/22/95/04/221229504.db2.gz DYFOLNCRRGFIKK-RBBKRZOGSA-N 1 0 350.462 3.537 50 0 FHAARO Cc1noc(-c2ccc(Oc3cccc(C[NH+]4CCCC4)c3F)nc2)n1 ZINC000067446709 221254552 /nfs/dbraw/zinc/25/45/52/221254552.db2.gz PTGFZXWCEYMLEK-UHFFFAOYSA-N 1 0 354.385 3.967 50 0 FHAARO C[C@H](C[NH+]1CCCC1)C(=O)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067458346 221256511 /nfs/dbraw/zinc/25/65/11/221256511.db2.gz BOMWVMWYCIJJAG-QGZVFWFLSA-N 1 0 366.509 3.515 50 0 FHAARO CCn1c(=O)n(C)nc1C1CC[NH+](CCC2=C(C)CCCC2(C)C)CC1 ZINC000067649035 221264529 /nfs/dbraw/zinc/26/45/29/221264529.db2.gz WGDIOSYSTJXJCL-UHFFFAOYSA-N 1 0 360.546 3.698 50 0 FHAARO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000067714859 221276942 /nfs/dbraw/zinc/27/69/42/221276942.db2.gz JYOPTMBIAPNGRR-MRXNPFEDSA-N 1 0 365.477 3.976 50 0 FHAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc(Cl)cc3C)cnn2c1 ZINC000067677666 221270850 /nfs/dbraw/zinc/27/08/50/221270850.db2.gz HXBSOAGYHFIKCR-UHFFFAOYSA-N 1 0 371.872 3.785 50 0 FHAARO C[NH+](C)Cc1ccccc1-c1ccc(C(=O)NCCCc2ccccn2)cn1 ZINC000067741611 221279092 /nfs/dbraw/zinc/27/90/92/221279092.db2.gz FJRWOCAGIVBCLS-UHFFFAOYSA-N 1 0 374.488 3.568 50 0 FHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](O)C3)c(C)o2)c2ccccc12 ZINC000067739698 221279175 /nfs/dbraw/zinc/27/91/75/221279175.db2.gz WQGQCWCOCVIRDR-HNNXBMFYSA-N 1 0 352.434 3.769 50 0 FHAARO CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000067834357 221292803 /nfs/dbraw/zinc/29/28/03/221292803.db2.gz KFBOLNXOVLRAHL-FQEVSTJZSA-N 1 0 373.500 3.872 50 0 FHAARO CC(C)C[N@@H+]1CCCN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 ZINC000067866827 221296786 /nfs/dbraw/zinc/29/67/86/221296786.db2.gz NHIICSWFAKTUHH-UHFFFAOYSA-N 1 0 363.509 3.560 50 0 FHAARO CC(C)[NH+]1CCC(CN2CCc3nc[nH]c3[C@@H]2Cc2ccccc2)CC1 ZINC000067885165 221301478 /nfs/dbraw/zinc/30/14/78/221301478.db2.gz HIYYRGFQBSEVSP-NRFANRHFSA-N 1 0 352.526 3.672 50 0 FHAARO CC[N@@H+]1CC[C@@H](CN2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)C1 ZINC000067934390 221306322 /nfs/dbraw/zinc/30/63/22/221306322.db2.gz ALUWEYBEYGERAA-MRXNPFEDSA-N 1 0 372.534 3.965 50 0 FHAARO C[NH+]1CCC(N(Cc2ccccc2F)C(=O)c2cc(F)ccc2F)CC1 ZINC000068113656 221313359 /nfs/dbraw/zinc/31/33/59/221313359.db2.gz KBVDMYDGEHDWMY-UHFFFAOYSA-N 1 0 362.395 3.841 50 0 FHAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)no2)cc1 ZINC000071195100 221336295 /nfs/dbraw/zinc/33/62/95/221336295.db2.gz VBTMJTHPXFBQTJ-KRWDZBQOSA-N 1 0 355.463 3.744 50 0 FHAARO Cc1nccn1CCC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071385537 221344636 /nfs/dbraw/zinc/34/46/36/221344636.db2.gz YOZZITXHJIIVLG-QFIPXVFZSA-N 1 0 372.532 3.953 50 0 FHAARO Cc1ccc(CCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000071384764 221344745 /nfs/dbraw/zinc/34/47/45/221344745.db2.gz OJVOLQBKQGRBRB-UHFFFAOYSA-N 1 0 366.505 3.717 50 0 FHAARO CCCn1ncc(C[N@@H+]2CCC(=O)N(Cc3ccccc3)[C@H](CC)C2)c1C ZINC000071589464 221351404 /nfs/dbraw/zinc/35/14/04/221351404.db2.gz LXSSRRMWTXFNKF-OAQYLSRUSA-N 1 0 368.525 3.615 50 0 FHAARO COc1cccc(C[C@H]2C[N@H+](CCc3c[nH]c4ccccc34)CCO2)c1 ZINC000071746735 221357896 /nfs/dbraw/zinc/35/78/96/221357896.db2.gz PFKPCCHQPQQKMA-FQEVSTJZSA-N 1 0 350.462 3.663 50 0 FHAARO Oc1cccc(C[N@@H+]2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000071745873 221358248 /nfs/dbraw/zinc/35/82/48/221358248.db2.gz TZSHQAVPGIDKEL-VLCRHTCISA-N 1 0 370.443 3.733 50 0 FHAARO CC(C)[C@H]1CN(C(=O)Cc2ccc(O)c(Cl)c2)CCC[N@@H+]1CC1CC1 ZINC000071751348 221361866 /nfs/dbraw/zinc/36/18/66/221361866.db2.gz XORWZULQRBCMKL-GOSISDBHSA-N 1 0 364.917 3.557 50 0 FHAARO Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2ccc(N3CCCC3)nn2)c1 ZINC000071750319 221362465 /nfs/dbraw/zinc/36/24/65/221362465.db2.gz VWZMHBWIABUHBP-SFHVURJKSA-N 1 0 352.482 3.524 50 0 FHAARO CC(C)[C@@H]1CN(C(=O)c2cccc3c2ccn3C)CCC[N@@H+]1CC1CC1 ZINC000071752068 221364382 /nfs/dbraw/zinc/36/43/82/221364382.db2.gz MZFZCADNGWVWTJ-NRFANRHFSA-N 1 0 353.510 3.761 50 0 FHAARO Cc1oc(-c2cccc(F)c2F)nc1CN1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000071761219 221367701 /nfs/dbraw/zinc/36/77/01/221367701.db2.gz JXUYURXIMNTLKK-ZDUSSCGKSA-N 1 0 361.436 3.987 50 0 FHAARO Cn1ccnc1-c1nccn1C[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000071764037 221370377 /nfs/dbraw/zinc/37/03/77/221370377.db2.gz LVLPXEHVZIWSJJ-GOSISDBHSA-N 1 0 353.445 3.650 50 0 FHAARO COc1c[nH]c(C[N@@H+]2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)cc1=O ZINC000072145030 221422404 /nfs/dbraw/zinc/42/24/04/221422404.db2.gz JGENOFXYTRZIDC-SFHVURJKSA-N 1 0 355.482 3.996 50 0 FHAARO COc1ncccc1-c1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299764486 533247696 /nfs/dbraw/zinc/24/76/96/533247696.db2.gz HNOBAOCRVIATDZ-KSZLIROESA-N 1 0 362.433 3.833 50 0 FHAARO Cc1ccc(C)c(CC(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)c1 ZINC000299773883 533656470 /nfs/dbraw/zinc/65/64/70/533656470.db2.gz GRRMELROWAWPMW-NRFANRHFSA-N 1 0 354.469 3.938 50 0 FHAARO Cc1cc(N2CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000077301334 132180375 /nfs/dbraw/zinc/18/03/75/132180375.db2.gz IIOHBHALUGUWBI-UHFFFAOYSA-N 1 0 357.885 3.715 50 0 FHAARO Cc1cc(N2CCC3(CC(=O)N(Cc4cc(F)cc(F)c4)C3)CC2)cc[nH+]1 ZINC000091595859 132202311 /nfs/dbraw/zinc/20/23/11/132202311.db2.gz SEKCHONUAMQQBA-UHFFFAOYSA-N 1 0 371.431 3.687 50 0 FHAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2nccc3ccccc32)C1 ZINC000095521166 132214005 /nfs/dbraw/zinc/21/40/05/132214005.db2.gz BLOMYRPYDFMMKH-IBGZPJMESA-N 1 0 363.509 3.767 50 0 FHAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccccc2)CC1 ZINC000000959113 132252511 /nfs/dbraw/zinc/25/25/11/132252511.db2.gz QEDJNTPZRAOHQL-UHFFFAOYSA-N 1 0 363.383 3.710 50 0 FHAARO C[NH+](C)C1CCN(c2ccc(C(F)(F)F)c(Br)c2)CC1 ZINC000169725654 132262172 /nfs/dbraw/zinc/26/21/72/132262172.db2.gz WGFFCCBQKFYTAV-UHFFFAOYSA-N 1 0 351.210 3.998 50 0 FHAARO Cc1cccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccccc4)CC3)c21 ZINC000061935705 136132565 /nfs/dbraw/zinc/13/25/65/136132565.db2.gz VGEJQLCXXWRUDC-UHFFFAOYSA-N 1 0 357.461 3.742 50 0 FHAARO CNc1nc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc(C)[nH+]1 ZINC000071422211 136139239 /nfs/dbraw/zinc/13/92/39/136139239.db2.gz HKKJESFEMHNGPH-CQSZACIVSA-N 1 0 353.253 3.711 50 0 FHAARO Cc1cc(N2CCCCC2)nc2sc3c(ncnc3NCC[NH+](C)C)c21 ZINC000071283588 136138751 /nfs/dbraw/zinc/13/87/51/136138751.db2.gz FEXUATTUHSMPMV-UHFFFAOYSA-N 1 0 370.526 3.512 50 0 FHAARO Cc1n[nH]c(C)c1CCCN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095363775 221864518 /nfs/dbraw/zinc/86/45/18/221864518.db2.gz DKESFXCPGRJAFE-UHFFFAOYSA-N 1 0 368.525 3.717 50 0 FHAARO CC(C)c1ncc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cn1 ZINC000095382374 221886358 /nfs/dbraw/zinc/88/63/58/221886358.db2.gz RVIZZSCRKHIFOE-PZJWPPBQSA-N 1 0 350.510 3.696 50 0 FHAARO COc1cc(OC)cc(N2CC[C@@H]([NH2+]CC(C)(C)c3ccccc3)C2)c1 ZINC000095464132 221913060 /nfs/dbraw/zinc/91/30/60/221913060.db2.gz IAEPOJGWLMFKBD-GOSISDBHSA-N 1 0 354.494 3.850 50 0 FHAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1ccc[nH]1 ZINC000095521068 221946961 /nfs/dbraw/zinc/94/69/61/221946961.db2.gz MABSGZHTSONNEZ-UHFFFAOYSA-N 1 0 359.901 3.695 50 0 FHAARO CCOC(=O)/C=C\c1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000096130086 222035166 /nfs/dbraw/zinc/03/51/66/222035166.db2.gz PDDXODPZJWPFGG-XFXZXTDPSA-N 1 0 373.497 3.694 50 0 FHAARO Cc1[nH]c2ccc(C(=O)NC3CC[NH+](C4CCSCC4)CC3)cc2c1C ZINC000096132966 222038688 /nfs/dbraw/zinc/03/86/88/222038688.db2.gz BXCMZANYROXKMC-UHFFFAOYSA-N 1 0 371.550 3.875 50 0 FHAARO Cc1nn(C)c2nc(N[C@@H]3CCC[N@H+](Cc4ccccc4F)C3)sc12 ZINC000096136808 222041881 /nfs/dbraw/zinc/04/18/81/222041881.db2.gz YRVLQMOOFZLCCJ-CQSZACIVSA-N 1 0 359.474 3.554 50 0 FHAARO CCOc1ccc(NC(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)cc1Cl ZINC000096164051 222062999 /nfs/dbraw/zinc/06/29/99/222062999.db2.gz JZEUWHQZWXIQBN-ZDUSSCGKSA-N 1 0 351.878 3.829 50 0 FHAARO COc1cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)cc(Cl)c1OC ZINC000097079670 222156850 /nfs/dbraw/zinc/15/68/50/222156850.db2.gz ZJDWPGWHNXJFIH-UHFFFAOYSA-N 1 0 361.873 3.642 50 0 FHAARO Cc1cc(CN2CCc3nc[nH]c3C2)c(C)c(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000097137604 222163065 /nfs/dbraw/zinc/16/30/65/222163065.db2.gz HWKFXASQIQMSSC-MRXNPFEDSA-N 1 0 352.526 3.817 50 0 FHAARO CCn1ncc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)c1C ZINC000097288854 222172760 /nfs/dbraw/zinc/17/27/60/222172760.db2.gz RIYJUQWHRKMDSI-NRFANRHFSA-N 1 0 368.525 3.723 50 0 FHAARO Cc1cc(C(=O)N2CC[NH+](C(C)C)CC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000097288145 222173711 /nfs/dbraw/zinc/17/37/11/222173711.db2.gz HDLYOOHNYGCTGI-SFHVURJKSA-N 1 0 353.510 3.880 50 0 FHAARO CC[N@@H+]1CCCC[C@H]1C(=O)N(Cc1scnc1C)Cc1ccccc1 ZINC000097514457 222187437 /nfs/dbraw/zinc/18/74/37/222187437.db2.gz XQDOBRJQWDTKGU-SFHVURJKSA-N 1 0 357.523 3.855 50 0 FHAARO O[C@H]1CN(Cc2cccc(Oc3ccccc3)c2)C[C@@H]1[NH+]1CCCCC1 ZINC000097729661 222206811 /nfs/dbraw/zinc/20/68/11/222206811.db2.gz HPWWKMASVUTTPB-VXKWHMMOSA-N 1 0 352.478 3.510 50 0 FHAARO c1cn(CC2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)cn1 ZINC000097730209 222209237 /nfs/dbraw/zinc/20/92/37/222209237.db2.gz NBINGDZPSWKCDU-UHFFFAOYSA-N 1 0 362.477 3.769 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc(-c3ccc(O)cc3)c2)C1 ZINC000097732840 222209557 /nfs/dbraw/zinc/20/95/57/222209557.db2.gz XSRBJVCUIJIOQO-MRXNPFEDSA-N 1 0 350.462 3.758 50 0 FHAARO CC(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000010302658 263364598 /nfs/dbraw/zinc/36/45/98/263364598.db2.gz DDXPWJKBQDANFV-UHFFFAOYSA-N 1 0 371.506 3.622 50 0 FHAARO Clc1ccccc1C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000020452148 263380315 /nfs/dbraw/zinc/38/03/15/263380315.db2.gz KLBFPDKGTMSPJE-UHFFFAOYSA-N 1 0 366.896 3.775 50 0 FHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]C(CC)CC)CN1Cc1cccc2ccccc21 ZINC000020449718 263380436 /nfs/dbraw/zinc/38/04/36/263380436.db2.gz XRVPSURQZICULD-UNMCSNQZSA-N 1 0 367.537 3.697 50 0 FHAARO C[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1ccc(Cl)cc1Cl ZINC000027398706 263389929 /nfs/dbraw/zinc/38/99/29/263389929.db2.gz RPSUNZIPIIFFNN-LLVKDONJSA-N 1 0 353.249 3.708 50 0 FHAARO Cc1ccc(C(=O)N(Cc2ccccn2)C2CCCCC2)cc1OCC[NH3+] ZINC000426477132 263598347 /nfs/dbraw/zinc/59/83/47/263598347.db2.gz AFBFROWSKVRNPX-UHFFFAOYSA-N 1 0 367.493 3.703 50 0 FHAARO COc1ccccc1C[N@@H+]1CC[C@]2(OC)CC[C@@H](Oc3ccccn3)C[C@H]12 ZINC000426500296 263609040 /nfs/dbraw/zinc/60/90/40/263609040.db2.gz OFTKKJSSAPJNQR-KAGYGMCKSA-N 1 0 368.477 3.681 50 0 FHAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)Nc1ccnn1C1CCCC1 ZINC000299763209 534341962 /nfs/dbraw/zinc/34/19/62/534341962.db2.gz ZACILBWVPULWBR-GOSISDBHSA-N 1 0 367.497 3.609 50 0 FHAARO CC(C)[NH+]1CCC(NC(=O)CN(Cc2ccccc2)c2ccccc2)CC1 ZINC000089870050 519670854 /nfs/dbraw/zinc/67/08/54/519670854.db2.gz KCOULVDCPJVPFA-UHFFFAOYSA-N 1 0 365.521 3.682 50 0 FHAARO CC(C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000000679586 519838089 /nfs/dbraw/zinc/83/80/89/519838089.db2.gz HXVPTWQCBGXMRF-UHFFFAOYSA-N 1 0 367.493 3.579 50 0 FHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000020535741 520539331 /nfs/dbraw/zinc/53/93/31/520539331.db2.gz ZAKZUQSUUSXCDP-HNNXBMFYSA-N 1 0 361.511 3.792 50 0 FHAARO CCCCc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)[nH]1 ZINC000091645267 521299874 /nfs/dbraw/zinc/29/98/74/521299874.db2.gz MLZALKILFLAAEA-QFIPXVFZSA-N 1 0 372.557 3.900 50 0 FHAARO CCCc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)n(C)n1 ZINC000082146046 521359236 /nfs/dbraw/zinc/35/92/36/521359236.db2.gz HSWOEVXKQOLJDT-OAQYLSRUSA-N 1 0 368.525 3.720 50 0 FHAARO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000252457290 521699837 /nfs/dbraw/zinc/69/98/37/521699837.db2.gz VKIHTFREMCVFSB-KZNAEPCWSA-N 1 0 358.530 3.775 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cnc(C3CC3)nc2)cc1 ZINC000082109077 521909496 /nfs/dbraw/zinc/90/94/96/521909496.db2.gz VRNGEEVVVQVVSM-HXUWFJFHSA-N 1 0 364.493 3.783 50 0 FHAARO COc1cc(OC)c(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cc1Cl ZINC000091604863 522791986 /nfs/dbraw/zinc/79/19/86/522791986.db2.gz PHCLJUSFBVPHLP-DOTOQJQBSA-N 1 0 364.917 3.663 50 0 FHAARO COCc1ccc(C[NH2+]CC2(N3CCCCC3)Cc3ccccc3C2)o1 ZINC000020995941 522988830 /nfs/dbraw/zinc/98/88/30/522988830.db2.gz CZYUCOYOSDFWSO-UHFFFAOYSA-N 1 0 354.494 3.539 50 0 FHAARO COc1cc2c(cc1NC(=O)CC(C)C)[C@H]([C@H]1CC[C@@H]([NH3+])CC1)CC(=O)N2 ZINC000244874705 523016512 /nfs/dbraw/zinc/01/65/12/523016512.db2.gz XFXUGZAMERIAQH-ZNMIVQPWSA-N 1 0 373.497 3.623 50 0 FHAARO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000020166220 523654296 /nfs/dbraw/zinc/65/42/96/523654296.db2.gz ACHNCUWUTFXLBV-HSZRJFAPSA-N 1 0 365.521 3.751 50 0 FHAARO COc1ccc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1OC ZINC000020450830 524028073 /nfs/dbraw/zinc/02/80/73/524028073.db2.gz WHZNRWBQKVMQBB-HXUWFJFHSA-N 1 0 354.494 3.800 50 0 FHAARO COc1ccccc1[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000242273592 524783770 /nfs/dbraw/zinc/78/37/70/524783770.db2.gz YEFSBYVRKYWTQG-JTBRQZTESA-N 1 0 360.404 3.596 50 0 FHAARO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000242389494 524880970 /nfs/dbraw/zinc/88/09/70/524880970.db2.gz ZXQDMCKJNVRGKZ-UZLBHIALSA-N 1 0 374.525 3.926 50 0 FHAARO C[C@@H](Cc1cccnc1)[NH+]1CCC(CO)(CCOc2ccccc2)CC1 ZINC000019885232 524924848 /nfs/dbraw/zinc/92/48/48/524924848.db2.gz XADRXEZFJSLPDH-IBGZPJMESA-N 1 0 354.494 3.556 50 0 FHAARO C[C@@H]1C[N@@H+](CCCCNc2ncnc3c4ccccc4oc32)C[C@H](C)O1 ZINC000079063607 524944164 /nfs/dbraw/zinc/94/41/64/524944164.db2.gz KOEPTOYJNUGADY-GASCZTMLSA-N 1 0 354.454 3.677 50 0 FHAARO C[C@H]1Oc2ccccc2N(CC[N@H+](Cc2ccco2)C2CCCC2)C1=O ZINC000089919842 525066340 /nfs/dbraw/zinc/06/63/40/525066340.db2.gz GULGVVVHSWQIGM-MRXNPFEDSA-N 1 0 354.450 3.838 50 0 FHAARO CSCc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)o1 ZINC000091474534 525725495 /nfs/dbraw/zinc/72/54/95/525725495.db2.gz BHDNPSPCASQSEX-ZWKOTPCHSA-N 1 0 370.518 3.879 50 0 FHAARO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3cn(C)c4ccccc34)C2)c1 ZINC000020916390 525937387 /nfs/dbraw/zinc/93/73/87/525937387.db2.gz HUKBSTRBLGFZLP-HXUWFJFHSA-N 1 0 363.505 3.941 50 0 FHAARO CSc1ccc(CN2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)cc1 ZINC000020905528 525990099 /nfs/dbraw/zinc/99/00/99/525990099.db2.gz UPAWJZDATFOQRW-FQEVSTJZSA-N 1 0 355.551 3.942 50 0 FHAARO C[C@H](c1ccc(-c2cn(Cc3nc4cc(F)ccc4[nH]3)nn2)cc1)[NH+](C)C ZINC000091625110 526038950 /nfs/dbraw/zinc/03/89/50/526038950.db2.gz LGPQTUDHFMNHIP-CYBMUJFWSA-N 1 0 364.428 3.631 50 0 FHAARO O=C(CCCc1cccs1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091616923 526462228 /nfs/dbraw/zinc/46/22/28/526462228.db2.gz OGAABNHRXVWYFX-PKOBYXMFSA-N 1 0 369.534 3.589 50 0 FHAARO Cc1nc(-c2cccc(N3CCC([NH2+]C4CCOCC4)CC3)c2)cs1 ZINC000082039482 526584493 /nfs/dbraw/zinc/58/44/93/526584493.db2.gz UTFHQZMZAHDMNN-UHFFFAOYSA-N 1 0 357.523 3.856 50 0 FHAARO O=C1C2=C(CCCC2)[C@H]([NH2+][C@H]2CCCc3ccccc32)N1C[C@H]1CCCO1 ZINC000239174319 526958405 /nfs/dbraw/zinc/95/84/05/526958405.db2.gz PTPLPMIEMQNNNC-VOQZNFBZSA-N 1 0 366.505 3.872 50 0 FHAARO Clc1cccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC000019745694 526980998 /nfs/dbraw/zinc/98/09/98/526980998.db2.gz OQERYORRVWIAAO-HXUWFJFHSA-N 1 0 359.901 3.720 50 0 FHAARO O=C(Cc1ccc(F)c(F)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091656076 527226585 /nfs/dbraw/zinc/22/65/85/527226585.db2.gz QNTGFLNFTGFHFI-RBUKOAKNSA-N 1 0 370.443 3.630 50 0 FHAARO [NH3+]C[C@H]1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000178537094 527238408 /nfs/dbraw/zinc/23/84/08/527238408.db2.gz OPNODPPLTNCGEI-CYBMUJFWSA-N 1 0 364.367 3.919 50 0 FHAARO CC(C)c1nnsc1C(=O)N1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000299778181 528486074 /nfs/dbraw/zinc/48/60/74/528486074.db2.gz PACCWDOGJRBYSR-MRXNPFEDSA-N 1 0 358.511 3.700 50 0 FHAARO CC[NH+]1CCN(c2ccccc2NC(=O)/C=C\c2ccccc2F)CC1 ZINC000096828902 535753659 /nfs/dbraw/zinc/75/36/59/535753659.db2.gz RNCZNXVXSPDDPO-QXMHVHEDSA-N 1 0 353.441 3.620 50 0 FHAARO CC[NH+](CC)CCN(CC(C)C)C(=O)c1oc(Br)cc1C ZINC000084771264 571099551 /nfs/dbraw/zinc/09/95/51/571099551.db2.gz IVQQBTYTMUBFSA-UHFFFAOYSA-N 1 0 359.308 3.791 50 0 FHAARO CC(C)n1c2ccccc2nc1CN1CC[NH+](C2CCSCC2)CC1 ZINC000215458177 568071709 /nfs/dbraw/zinc/07/17/09/568071709.db2.gz NVSYUEJGSVTHPY-UHFFFAOYSA-N 1 0 358.555 3.630 50 0 FHAARO Cc1cccc2cc(C(=O)N3CC[NH+](C4CCSCC4)CC3)c(C)nc12 ZINC000215530018 568075492 /nfs/dbraw/zinc/07/54/92/568075492.db2.gz FKOSCRBMUUNGBO-UHFFFAOYSA-N 1 0 369.534 3.505 50 0 FHAARO CCc1nc(C)sc1C(=O)NCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000216115943 568106542 /nfs/dbraw/zinc/10/65/42/568106542.db2.gz IGNRWALFBSHXRN-KRWDZBQOSA-N 1 0 357.523 3.623 50 0 FHAARO COc1ccc2[nH]c(C[NH+]3CCC(Oc4cccnc4)CC3)c(C)c2c1 ZINC000216120964 568106860 /nfs/dbraw/zinc/10/68/60/568106860.db2.gz WJLURXHVDLRSTE-UHFFFAOYSA-N 1 0 351.450 3.923 50 0 FHAARO C[C@H](C1CCN(Cc2[nH]c3ccccc3c2Cl)CC1)[NH+]1CCOCC1 ZINC000216274153 568115905 /nfs/dbraw/zinc/11/59/05/568115905.db2.gz UGHTVWSWGRZAFH-OAHLLOKOSA-N 1 0 361.917 3.754 50 0 FHAARO Cc1cc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c2cc(Cl)ccc2n1 ZINC000216280943 568116236 /nfs/dbraw/zinc/11/62/36/568116236.db2.gz HEMGRBHUVZOCSG-HXUWFJFHSA-N 1 0 357.885 3.755 50 0 FHAARO c1cc([C@H]2CCCCO2)oc1CN1CCN(CCOc2ccccc2)CC1 ZINC000216346624 568119022 /nfs/dbraw/zinc/11/90/22/568119022.db2.gz QJTFQDKZXZZQJN-OAQYLSRUSA-N 1 0 370.493 3.718 50 0 FHAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@@H](O)c1ccc(Cl)cc1 ZINC000221249494 568393941 /nfs/dbraw/zinc/39/39/41/568393941.db2.gz ODOVYGAKCAQESP-FQEVSTJZSA-N 1 0 372.896 3.628 50 0 FHAARO CCc1oc(C(=O)N2CC(Oc3ccccc3)C2)cc1C[NH+](CC)CC ZINC000221314164 568397379 /nfs/dbraw/zinc/39/73/79/568397379.db2.gz RQVBYOHQTIBKEU-UHFFFAOYSA-N 1 0 356.466 3.587 50 0 FHAARO C[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000222204027 568504085 /nfs/dbraw/zinc/50/40/85/568504085.db2.gz FURPSVXUKJUJOT-IINYFYTJSA-N 1 0 361.795 3.917 50 0 FHAARO CCN1CC2(CC[NH+](Cc3cccnc3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091830082 570440065 /nfs/dbraw/zinc/44/00/65/570440065.db2.gz OITJRBGYPHKOCO-NRFANRHFSA-N 1 0 363.505 3.700 50 0 FHAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1ccccc1F)C2 ZINC000091848841 570440976 /nfs/dbraw/zinc/44/09/76/570440976.db2.gz LOYYALYVTGZDDV-JKSUJKDBSA-N 1 0 372.444 3.559 50 0 FHAARO Cn1c(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc2cc(F)ccc21 ZINC000092065900 570446509 /nfs/dbraw/zinc/44/65/09/570446509.db2.gz UIQUMSFJVAGRSR-GOSISDBHSA-N 1 0 357.473 3.798 50 0 FHAARO COCC[C@]1(O)CC[N@H+](Cc2[nH]c3ccc(Cl)cc3c2C)C[C@H]1C ZINC000092062496 570446659 /nfs/dbraw/zinc/44/66/59/570446659.db2.gz UDCZRKXPNJDZNE-BFUOFWGJSA-N 1 0 350.890 3.739 50 0 FHAARO CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095364057 570454751 /nfs/dbraw/zinc/45/47/51/570454751.db2.gz LUEDZTUUDJJVKP-QGZVFWFLSA-N 1 0 369.534 3.761 50 0 FHAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCOc2ccc(Cl)cc2C1 ZINC000095372123 570456574 /nfs/dbraw/zinc/45/65/74/570456574.db2.gz ITSUYIIQLBIMEG-KRWDZBQOSA-N 1 0 370.880 3.842 50 0 FHAARO Cc1ccc([C@H](NC(=O)CCC[NH+]2CCCCC2)c2ccncc2)cc1 ZINC000095375709 570457347 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FHAARO O=C(CN1CCCCCCC1=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000050488030 570547122 /nfs/dbraw/zinc/54/71/22/570547122.db2.gz GAYNCEZPOZUYAC-UHFFFAOYSA-N 1 0 353.422 3.605 50 0 FHAARO CC(=O)N(CC(C)C)C[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1ccccc1 ZINC000034740396 570550576 /nfs/dbraw/zinc/55/05/76/570550576.db2.gz QYVUAOZEEFLPGF-JTHBVZDNSA-N 1 0 367.537 3.745 50 0 FHAARO Clc1cc(Br)ccc1OCCOCC[NH+]1CCCCC1 ZINC000003460674 570565096 /nfs/dbraw/zinc/56/50/96/570565096.db2.gz AJNAOCMEYUPEKT-UHFFFAOYSA-N 1 0 362.695 3.984 50 0 FHAARO CC[NH+](CC)CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O ZINC000004950891 570566209 /nfs/dbraw/zinc/56/62/09/570566209.db2.gz BJMHPSATDKGHEQ-UHFFFAOYSA-N 1 0 371.506 3.513 50 0 FHAARO COc1ccc(CC(=O)N(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C(C)C)cc1 ZINC000409413917 570589717 /nfs/dbraw/zinc/58/97/17/570589717.db2.gz GGRXMHLVJVQUJE-PZJWPPBQSA-N 1 0 358.526 3.739 50 0 FHAARO Cc1ccc2[nH]c3c(ncn(CCC[N@@H+](C)C4CCCCC4)c3=O)c2c1 ZINC000005152213 570591704 /nfs/dbraw/zinc/59/17/04/570591704.db2.gz 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O=C(Cc1ccc2c(c1)CCC2)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000044515481 570603807 /nfs/dbraw/zinc/60/38/07/570603807.db2.gz SAQUUBWSNDYDQS-FQEVSTJZSA-N 1 0 352.478 3.654 50 0 FHAARO CN(Cc1cccs1)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426488250 570608647 /nfs/dbraw/zinc/60/86/47/570608647.db2.gz MUSFHQLIIHHAIB-GOSISDBHSA-N 1 0 357.523 3.802 50 0 FHAARO COCc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000252489408 570622659 /nfs/dbraw/zinc/62/26/59/570622659.db2.gz JQLFSPADQCUEPQ-UHFFFAOYSA-N 1 0 367.493 3.928 50 0 FHAARO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(C)Cc2cccc(F)c2)C12CCCC2 ZINC000253429992 570625524 /nfs/dbraw/zinc/62/55/24/570625524.db2.gz PKEVQKRUZNAJLH-ATZDWAIDSA-N 1 0 362.489 3.500 50 0 FHAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccncc3)=NN12 ZINC000005575715 570677456 /nfs/dbraw/zinc/67/74/56/570677456.db2.gz UIJKUKUBGOTTQZ-HXUWFJFHSA-N 1 0 362.477 3.826 50 0 FHAARO Cc1ccc(Sc2cc(C(=O)NCC[NH+](C)C)c3ccccc3n2)cc1 ZINC000003035119 570681188 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COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3cnc(N(C)C)s3)c2C)cc1 ZINC000011712063 570705688 /nfs/dbraw/zinc/70/56/88/570705688.db2.gz TYTJQGUULKSKAO-CYBMUJFWSA-N 1 0 371.510 3.563 50 0 FHAARO CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)o1 ZINC000011766545 570706564 /nfs/dbraw/zinc/70/65/64/570706564.db2.gz NYEQJKNBJPNHPP-MRXNPFEDSA-N 1 0 357.450 3.954 50 0 FHAARO COc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1C ZINC000011766669 570706737 /nfs/dbraw/zinc/70/67/37/570706737.db2.gz FQYPOFKQVKJKKC-QFIPXVFZSA-N 1 0 357.469 3.960 50 0 FHAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1ccncc1 ZINC000011815304 570707541 /nfs/dbraw/zinc/70/75/41/570707541.db2.gz CJQATYIHEUPKJP-UHFFFAOYSA-N 1 0 365.521 3.807 50 0 FHAARO O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1Cc1cc(F)ccc1F ZINC000011872734 570710280 /nfs/dbraw/zinc/71/02/80/570710280.db2.gz CMAFDXRONKCVKN-SFHVURJKSA-N 1 0 362.395 3.775 50 0 FHAARO CC(C)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cccc(Cl)c3)CC2)O1 ZINC000012040761 570715122 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COc1ccc([C@@H](CNC(=O)c2oc3c(cccc3F)c2C)[NH+](C)C)cc1 ZINC000032780879 570799376 /nfs/dbraw/zinc/79/93/76/570799376.db2.gz FIQNCDXMRALEIY-GOSISDBHSA-N 1 0 370.424 3.922 50 0 FHAARO Cc1cc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1Cl ZINC000005704745 570824214 /nfs/dbraw/zinc/82/42/14/570824214.db2.gz SJNMSJJWXVYJAQ-KRWDZBQOSA-N 1 0 362.857 3.574 50 0 FHAARO CCC[NH+]1CCC(NCc2cccnc2N2CCc3ccccc3C2)CC1 ZINC000014947743 570826331 /nfs/dbraw/zinc/82/63/31/570826331.db2.gz YRGHRPAKTMQVCK-UHFFFAOYSA-N 1 0 364.537 3.608 50 0 FHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(OC)ccc2OC)N3)C1 ZINC000004556400 570834697 /nfs/dbraw/zinc/83/46/97/570834697.db2.gz DKXVITPTMMTDJJ-KRWDZBQOSA-N 1 0 373.478 3.572 50 0 FHAARO C[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)C1 ZINC000016334625 570854809 /nfs/dbraw/zinc/85/48/09/570854809.db2.gz UVCFBZNFCJHWOD-YLJYHZDGSA-N 1 0 350.462 3.885 50 0 FHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000032931449 570872253 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FHAARO CCc1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCCC2)cc1 ZINC000028403413 571031583 /nfs/dbraw/zinc/03/15/83/571031583.db2.gz XIXXZJINPHEESC-OAQYLSRUSA-N 1 0 352.478 3.581 50 0 FHAARO CCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000038545818 571045422 /nfs/dbraw/zinc/04/54/22/571045422.db2.gz KNQKUWDNXCVRQP-OAQYLSRUSA-N 1 0 370.493 3.712 50 0 FHAARO COc1cc(SC)ccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008428970 571046808 /nfs/dbraw/zinc/04/68/08/571046808.db2.gz ICCLXPPYDSFHFP-MRXNPFEDSA-N 1 0 360.479 3.577 50 0 FHAARO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C(C)(C)C ZINC000225589182 571047530 /nfs/dbraw/zinc/04/75/30/571047530.db2.gz VRIBICFFRBKXIP-GOSISDBHSA-N 1 0 372.513 3.901 50 0 FHAARO O=C(N1CCc2ccccc2CC1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000225644852 571052090 /nfs/dbraw/zinc/05/20/90/571052090.db2.gz JAGYHAWJSVXKQK-NRFANRHFSA-N 1 0 361.489 3.692 50 0 FHAARO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1csc(-c2cccs2)n1 ZINC000225731458 571059981 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C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCNC(=O)C3CCCC3)cc2)C1 ZINC000040121251 571080810 /nfs/dbraw/zinc/08/08/10/571080810.db2.gz IABXXWBQBXXOJN-QGZVFWFLSA-N 1 0 371.525 3.554 50 0 FHAARO C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000060275014 571083293 /nfs/dbraw/zinc/08/32/93/571083293.db2.gz WGTILHOOMYKTLU-TZIWHRDSSA-N 1 0 358.526 3.562 50 0 FHAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CCCOC1CCCCC1 ZINC000040153210 571086844 /nfs/dbraw/zinc/08/68/44/571086844.db2.gz GSECHGVZFQQEHJ-UHFFFAOYSA-N 1 0 357.454 3.634 50 0 FHAARO Cc1cc(N2CC[NH+](Cc3cccc4cccnc43)CC2)nc(C(C)C)n1 ZINC000012768583 571087891 /nfs/dbraw/zinc/08/78/91/571087891.db2.gz JIPXLEGXRZHCEL-UHFFFAOYSA-N 1 0 361.493 3.779 50 0 FHAARO Cc1nc(COc2ccc(C(=O)NC[C@@H](C)[NH+]3CCCCC3)cc2)cs1 ZINC000040157559 571088178 /nfs/dbraw/zinc/08/81/78/571088178.db2.gz VOALQIHYYSZHRO-OAHLLOKOSA-N 1 0 373.522 3.635 50 0 FHAARO COc1cccc(CNCCC[NH+](C)C)c1OCc1cccc(Cl)c1 ZINC000040719495 571092122 /nfs/dbraw/zinc/09/21/22/571092122.db2.gz 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/nfs/dbraw/zinc/11/86/92/571118692.db2.gz XGHDNXVUJDBBAO-UHFFFAOYSA-N 1 0 362.477 3.784 50 0 FHAARO C[NH+]1CCC(OCCCNC(=O)[C@]2(c3ccccc3)CC23CCCC3)CC1 ZINC000244882532 571118956 /nfs/dbraw/zinc/11/89/56/571118956.db2.gz XTPDXAFHXFMIPQ-HSZRJFAPSA-N 1 0 370.537 3.506 50 0 FHAARO C[NH+](C)[C@H](CNc1nc(-c2cccnc2)nc2ccccc21)c1ccco1 ZINC000006086254 571119118 /nfs/dbraw/zinc/11/91/18/571119118.db2.gz FANLNKSLVQMULC-GOSISDBHSA-N 1 0 359.433 4.000 50 0 FHAARO CC[NH+](CC)CCOC(=O)c1ccc(NCCC(=O)c2ccccc2)cc1 ZINC000004623832 571122063 /nfs/dbraw/zinc/12/20/63/571122063.db2.gz FDIWIFCUMSMFAL-UHFFFAOYSA-N 1 0 368.477 3.870 50 0 FHAARO CCCOc1ccc(C[NH2+]CCOc2ccccn2)cc1Br ZINC000057356050 571122388 /nfs/dbraw/zinc/12/23/88/571122388.db2.gz ZEKAVZGAMZTBCZ-UHFFFAOYSA-N 1 0 365.271 3.802 50 0 FHAARO CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000042996666 571127364 /nfs/dbraw/zinc/12/73/64/571127364.db2.gz KEXZFTFVVXRYSX-UHFFFAOYSA-N 1 0 358.313 3.913 50 0 FHAARO COc1cccc(C[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)c1OC ZINC000058174294 571127459 /nfs/dbraw/zinc/12/74/59/571127459.db2.gz DVHUGHYKENQYNX-UHFFFAOYSA-N 1 0 355.413 3.627 50 0 FHAARO CC[C@@H](CO)[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248174815 571128296 /nfs/dbraw/zinc/12/82/96/571128296.db2.gz VEOSJIDKCOQXJU-SFHVURJKSA-N 1 0 370.884 3.507 50 0 FHAARO CCOCCC[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248319632 571129137 /nfs/dbraw/zinc/12/91/37/571129137.db2.gz QRPXHTKKVWWUGU-UHFFFAOYSA-N 1 0 350.466 3.510 50 0 FHAARO Cc1cc([C@H]2CCCC[N@@H+]2CCC(=O)NCc2cccc(Cl)c2)no1 ZINC000252491508 571132982 /nfs/dbraw/zinc/13/29/82/571132982.db2.gz LNTNLKFZTCLXOB-GOSISDBHSA-N 1 0 361.873 3.870 50 0 FHAARO Cc1cc([C@@H]2CCCC[N@@H+]2CCC(=O)NCc2cccc(Cl)c2)no1 ZINC000252491509 571133060 /nfs/dbraw/zinc/13/30/60/571133060.db2.gz LNTNLKFZTCLXOB-SFHVURJKSA-N 1 0 361.873 3.870 50 0 FHAARO CN(CCC(=O)Nc1cccc2ccccc21)CC[N@H+](C)C1CCCC1 ZINC000252509418 571133801 /nfs/dbraw/zinc/13/38/01/571133801.db2.gz YNQXZZUQEAKOIB-UHFFFAOYSA-N 1 0 353.510 3.975 50 0 FHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCOc3ccccc3)c(C)c2)CC1 ZINC000025185798 571141268 /nfs/dbraw/zinc/14/12/68/571141268.db2.gz PIELMYUQESHOKK-UHFFFAOYSA-N 1 0 367.493 3.545 50 0 FHAARO CCOc1c(Cl)cc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1OC ZINC000025262526 571142116 /nfs/dbraw/zinc/14/21/16/571142116.db2.gz LJYCUGFAWOLBGN-UHFFFAOYSA-N 1 0 363.841 3.808 50 0 FHAARO Cc1cccc(C2(C(=O)N3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)CCCC2)c1 ZINC000333230984 571143154 /nfs/dbraw/zinc/14/31/54/571143154.db2.gz BYLAGLYYSZYDIX-LEWJYISDSA-N 1 0 370.537 3.552 50 0 FHAARO COc1cc(C[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)cc(Cl)c1OC ZINC000025360359 571145137 /nfs/dbraw/zinc/14/51/37/571145137.db2.gz XYPSACOFKVOBHT-KRWDZBQOSA-N 1 0 366.864 3.889 50 0 FHAARO CCC(CC)c1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)on1 ZINC000075107352 571155256 /nfs/dbraw/zinc/15/52/56/571155256.db2.gz NCLFMCVLRKMYNL-KDURUIRLSA-N 1 0 367.493 3.782 50 0 FHAARO C[C@H]1CC[N@H+](CCN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000075109084 571155878 /nfs/dbraw/zinc/15/58/78/571155878.db2.gz ZNHZFVOVQUKJKH-SUMWQHHRSA-N 1 0 370.324 3.738 50 0 FHAARO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000075110419 571156105 /nfs/dbraw/zinc/15/61/05/571156105.db2.gz FLIAMOHAZDJUPX-SHACYNPGSA-N 1 0 366.914 3.561 50 0 FHAARO C[N@H+](Cc1cc(-c2ccncc2)no1)C[C@@]1(c2ccc(F)cc2)CCOC1 ZINC000072134281 571171436 /nfs/dbraw/zinc/17/14/36/571171436.db2.gz IIGMEANEMKBERI-NRFANRHFSA-N 1 0 367.424 3.666 50 0 FHAARO O=C(c1ccc([C@@H]2CC[NH2+]C2)cc1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000072144379 571172367 /nfs/dbraw/zinc/17/23/67/571172367.db2.gz SVFYJTVRWHDLPH-OAQYLSRUSA-N 1 0 358.485 3.964 50 0 FHAARO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1F)c1csc2ccccc21 ZINC000575621644 571173245 /nfs/dbraw/zinc/17/32/45/571173245.db2.gz QAENRRLMWRYWBA-KRWDZBQOSA-N 1 0 372.465 3.838 50 0 FHAARO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1Cc1nc2cc(Cl)ccc2o1 ZINC000072148806 571174109 /nfs/dbraw/zinc/17/41/09/571174109.db2.gz ILTAGXUMWNKXAX-HNNXBMFYSA-N 1 0 361.873 3.848 50 0 FHAARO Cc1nccc(-c2cccc(NC(=O)c3ccccc3[C@H]3CC[NH2+]C3)c2)n1 ZINC000072153854 571174636 /nfs/dbraw/zinc/17/46/36/571174636.db2.gz USAFQWNOCSERFO-KRWDZBQOSA-N 1 0 358.445 3.781 50 0 FHAARO CN(C)C(=O)COc1ccccc1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000072159077 571175708 /nfs/dbraw/zinc/17/57/08/571175708.db2.gz MXGRDHBNOXJRAY-HXUWFJFHSA-N 1 0 352.478 3.663 50 0 FHAARO C[N@@H+]1C[C@H](NC(=O)c2csc(-c3cccs3)n2)[C@@H](c2ccccc2)C1 ZINC000222029374 571175719 /nfs/dbraw/zinc/17/57/19/571175719.db2.gz ZOOFMLGSIDJCFD-CABCVRRESA-N 1 0 369.515 3.699 50 0 FHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c[nH]nc1-c1ccccc1 ZINC000012534982 571175786 /nfs/dbraw/zinc/17/57/86/571175786.db2.gz YQTVAQOGCKKOND-UHFFFAOYSA-N 1 0 362.477 3.849 50 0 FHAARO FC1(F)CCN(Cc2cc3n(n2)CCC[N@H+](C[C@H]2CC=CCC2)C3)CC1 ZINC000072164473 571176437 /nfs/dbraw/zinc/17/64/37/571176437.db2.gz VXLBJLHFDVRALC-KRWDZBQOSA-N 1 0 364.484 3.676 50 0 FHAARO c1[nH]nc(C2CCCCC2)c1CN1CCC[N@H+](Cc2ccncc2)CC1 ZINC000072166656 571176795 /nfs/dbraw/zinc/17/67/95/571176795.db2.gz SYKKOGJLHLMFAN-UHFFFAOYSA-N 1 0 353.514 3.560 50 0 FHAARO [NH3+]CC1CCC(c2c3ccccc3sc2C(=O)N2CCOCC2)CC1 ZINC000072345876 571179740 /nfs/dbraw/zinc/17/97/40/571179740.db2.gz PMTNKLZWYJETTM-UHFFFAOYSA-N 1 0 358.507 3.606 50 0 FHAARO CC[C@](C)([NH2+]CCc1ccccc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000035622219 571183755 /nfs/dbraw/zinc/18/37/55/571183755.db2.gz NGFPVSVNMFCUFL-IBGZPJMESA-N 1 0 355.873 3.773 50 0 FHAARO CC(C)C[NH+]1CCC(CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)CC1 ZINC000072408014 571191462 /nfs/dbraw/zinc/19/14/62/571191462.db2.gz SSPDMMCMQGWJRE-UHFFFAOYSA-N 1 0 374.569 3.830 50 0 FHAARO Cc1nn2c(nc(-c3ccccc3)cc2N(C)C[C@@H]2CCCC[N@@H+]2C)c1C ZINC000072409608 571191650 /nfs/dbraw/zinc/19/16/50/571191650.db2.gz KXPTZQOXTSLKGJ-IBGZPJMESA-N 1 0 363.509 3.934 50 0 FHAARO Clc1ccc2scc(Cn3ccnc3-c3cc4n(n3)CC[NH2+]C4)c2c1 ZINC000072420277 571192929 /nfs/dbraw/zinc/19/29/29/571192929.db2.gz QJUDPJFNIXIFGU-UHFFFAOYSA-N 1 0 369.881 3.766 50 0 FHAARO O=C1CC[C@]2(CCC[N@H+](CCc3ccccn3)C2)CN1Cc1ccccc1 ZINC000072422878 571193654 /nfs/dbraw/zinc/19/36/54/571193654.db2.gz PQOKBRAMGSQPJY-QHCPKHFHSA-N 1 0 363.505 3.529 50 0 FHAARO Cc1cc(C[N@@H+]2CCCC23CCN(c2nc4ccccc4o2)CC3)on1 ZINC000072456958 571197542 /nfs/dbraw/zinc/19/75/42/571197542.db2.gz JLLMTXWBUXFBIE-UHFFFAOYSA-N 1 0 352.438 3.759 50 0 FHAARO COc1cc2c(cc1C[NH+]1CCC(c3ccncc3)CC1)OCCCO2 ZINC000072470601 571198655 /nfs/dbraw/zinc/19/86/55/571198655.db2.gz JRTLZYUTVDJRPW-UHFFFAOYSA-N 1 0 354.450 3.631 50 0 FHAARO O=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1CCC[NH2+]CC1 ZINC000072480236 571199808 /nfs/dbraw/zinc/19/98/08/571199808.db2.gz CWNVAOINNDOFMV-UHFFFAOYSA-N 1 0 353.853 3.924 50 0 FHAARO C[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)CC1 ZINC000054148044 571202748 /nfs/dbraw/zinc/20/27/48/571202748.db2.gz XPLDEZMVQDRXGJ-UHFFFAOYSA-N 1 0 365.452 3.653 50 0 FHAARO CN(C(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1)C1CC[NH+](C)CC1 ZINC000534589061 571205617 /nfs/dbraw/zinc/20/56/17/571205617.db2.gz VPPNXGFHWMHTKU-LJQANCHMSA-N 1 0 372.900 3.560 50 0 FHAARO Cc1ccccc1OC1CCN(C(=O)c2cccc([C@H]3CC[NH2+]C3)c2)CC1 ZINC000077286362 571206245 /nfs/dbraw/zinc/20/62/45/571206245.db2.gz BONUTPOYOSSHKC-FQEVSTJZSA-N 1 0 364.489 3.756 50 0 FHAARO CN(CCC[NH+]1CCCC1)C(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000534644772 571206482 /nfs/dbraw/zinc/20/64/82/571206482.db2.gz JXNSWTVWISIWPH-LJQANCHMSA-N 1 0 357.523 3.965 50 0 FHAARO Cc1nc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cs1 ZINC000077339060 571207944 /nfs/dbraw/zinc/20/79/44/571207944.db2.gz COYNOOIATCSYMR-IBGZPJMESA-N 1 0 357.523 3.728 50 0 FHAARO CC[N@@H+]1CCC[C@@H](NC(=O)N(Cc2c(F)cccc2Cl)C2CC2)C1 ZINC000534658771 571208007 /nfs/dbraw/zinc/20/80/07/571208007.db2.gz CJYSOGIAMCEQEP-CYBMUJFWSA-N 1 0 353.869 3.637 50 0 FHAARO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cc(F)cc(F)c1 ZINC000534666961 571208380 /nfs/dbraw/zinc/20/83/80/571208380.db2.gz UJXFOHBDIFFQHN-AWEZNQCLSA-N 1 0 351.441 3.543 50 0 FHAARO Cc1cccc2[nH]nc(-c3cccc(C(=O)NCC[C@@H]4CCC[N@H+]4C)c3)c21 ZINC000534669329 571208686 /nfs/dbraw/zinc/20/86/86/571208686.db2.gz LOBAHGLALSBEGD-SFHVURJKSA-N 1 0 362.477 3.752 50 0 FHAARO CC[C@@H](C)[NH2+]C[C@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000006553075 571209404 /nfs/dbraw/zinc/20/94/04/571209404.db2.gz CIBXAFWEOIRJJM-APWZRJJASA-N 1 0 373.493 3.559 50 0 FHAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc(-c2ccccc2)on1 ZINC000077378684 571209450 /nfs/dbraw/zinc/20/94/50/571209450.db2.gz CWEXSJHAXOQQQN-INIZCTEOSA-N 1 0 361.445 3.518 50 0 FHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccnn2C(F)F)cc1 ZINC000077470245 571212538 /nfs/dbraw/zinc/21/25/38/571212538.db2.gz QOIHQOUVRCOEJT-MRXNPFEDSA-N 1 0 362.424 3.707 50 0 FHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccccc2I)C1 ZINC000004907500 571213787 /nfs/dbraw/zinc/21/37/87/571213787.db2.gz KGUSTBDNXHJOLX-BETUJISGSA-N 1 0 359.251 3.648 50 0 FHAARO CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)c1ccc(-c2ccc(O)cc2F)cc1 ZINC000426420361 571222845 /nfs/dbraw/zinc/22/28/45/571222845.db2.gz PZARUSKBXIIZSD-OAQYLSRUSA-N 1 0 356.441 3.612 50 0 FHAARO CN(C[C@@]1(C)CC[N@H+](C)C1)C(=O)c1ccc(-c2ccc(O)cc2F)cc1 ZINC000426420359 571222935 /nfs/dbraw/zinc/22/29/35/571222935.db2.gz PZARUSKBXIIZSD-NRFANRHFSA-N 1 0 356.441 3.612 50 0 FHAARO O=C(c1cccc(-c2ccc(OC(F)F)cc2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000426438932 571225192 /nfs/dbraw/zinc/22/51/92/571225192.db2.gz SXCCCNDEXQFYFQ-SFHVURJKSA-N 1 0 372.415 3.875 50 0 FHAARO O=C(CCC[NH+]1CCCCC1)N[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000081355476 571227015 /nfs/dbraw/zinc/22/70/15/571227015.db2.gz JVPDFSILKFSGCE-OAQYLSRUSA-N 1 0 355.457 3.692 50 0 FHAARO CC(=O)c1ccc(F)cc1-c1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000426501718 571228737 /nfs/dbraw/zinc/22/87/37/571228737.db2.gz FMXYOBHIHMMNEJ-UHFFFAOYSA-N 1 0 368.452 3.862 50 0 FHAARO CCC[N@@H+]1CCCn2nc(CNc3ccc(C(F)(F)F)cn3)cc2C1 ZINC000082161794 571229460 /nfs/dbraw/zinc/22/94/60/571229460.db2.gz HUAXXYGENSKFKG-UHFFFAOYSA-N 1 0 353.392 3.525 50 0 FHAARO Cn1ccnc1[C@@H](NC(=O)c1cccc(C[NH+]2CCCCCC2)c1)C1CC1 ZINC000426531559 571230557 /nfs/dbraw/zinc/23/05/57/571230557.db2.gz IBGMFQQEYHOMDN-FQEVSTJZSA-N 1 0 366.509 3.677 50 0 FHAARO CC(C)C[N@@H+]1CCN(C(=O)c2ccc(-c3ccsc3)cc2)C[C@H]1CCO ZINC000426596673 571232867 /nfs/dbraw/zinc/23/28/67/571232867.db2.gz WVEDSHJSKZZQDG-HXUWFJFHSA-N 1 0 372.534 3.580 50 0 FHAARO O=C(c1cccc(-c2cc(O)c(F)c(F)c2)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000426662360 571234655 /nfs/dbraw/zinc/23/46/55/571234655.db2.gz VFDZFHDVQMYFFB-OAQYLSRUSA-N 1 0 372.415 3.553 50 0 FHAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(-c2ccc(SC)cc2)cc1 ZINC000426684501 571234953 /nfs/dbraw/zinc/23/49/53/571234953.db2.gz NLDLBHNFDPETMS-PMACEKPBSA-N 1 0 370.518 3.524 50 0 FHAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(F)cc3)=NN12 ZINC000004812069 571237927 /nfs/dbraw/zinc/23/79/27/571237927.db2.gz VSQZJZUERLPDDV-LJQANCHMSA-N 1 0 351.425 3.791 50 0 FHAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1[C@@H]3CCc4ccccc4C3=NN12 ZINC000004812631 571237946 /nfs/dbraw/zinc/23/79/46/571237946.db2.gz COBOEWUKKRMQNZ-DENIHFKCSA-N 1 0 359.473 3.824 50 0 FHAARO O=C1CCC2(CC[NH+](Cc3cccc(Cl)c3F)CC2)CN1C1CC1 ZINC000091269954 571238547 /nfs/dbraw/zinc/23/85/47/571238547.db2.gz IKEZCTBBVBLOEO-UHFFFAOYSA-N 1 0 350.865 3.846 50 0 FHAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)o1 ZINC000036031393 571238931 /nfs/dbraw/zinc/23/89/31/571238931.db2.gz BJEXIZMGXLEMKK-LJQANCHMSA-N 1 0 373.424 3.900 50 0 FHAARO COCCn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091325941 571239067 /nfs/dbraw/zinc/23/90/67/571239067.db2.gz SOPYWIGZSDCEIY-MRXNPFEDSA-N 1 0 367.415 3.928 50 0 FHAARO Cc1nccn1CC(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091434310 571239501 /nfs/dbraw/zinc/23/95/01/571239501.db2.gz VYADILXWFODRQO-UHFFFAOYSA-N 1 0 359.473 3.800 50 0 FHAARO [NH3+][C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)C[C@@H]1C1CC1 ZINC000091434736 571239697 /nfs/dbraw/zinc/23/96/97/571239697.db2.gz FFJJECZSYNZYBI-YPMHNXCESA-N 1 0 366.305 3.534 50 0 FHAARO COc1cccc(-c2cccc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4C)C3)c2)c1 ZINC000091459733 571239827 /nfs/dbraw/zinc/23/98/27/571239827.db2.gz RGKPXUMGXWSSDT-OXQOHEQNSA-N 1 0 350.462 3.528 50 0 FHAARO CSc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091562859 571240596 /nfs/dbraw/zinc/24/05/96/571240596.db2.gz UFNUSNMBPCQTED-ZWKOTPCHSA-N 1 0 367.518 3.540 50 0 FHAARO COc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036095174 571240848 /nfs/dbraw/zinc/24/08/48/571240848.db2.gz KVEWRUOBTYHYFA-HXUWFJFHSA-N 1 0 357.494 3.902 50 0 FHAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccccc1 ZINC000036095808 571241151 /nfs/dbraw/zinc/24/11/51/571241151.db2.gz MMDIQKGWVFTHLD-HKUYNNGSSA-N 1 0 373.493 3.744 50 0 FHAARO O=C(c1cc(Cl)ccc1F)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091616623 571241211 /nfs/dbraw/zinc/24/12/11/571241211.db2.gz JLKBQYICHHQQMM-GDBMZVCRSA-N 1 0 350.865 3.816 50 0 FHAARO COCC[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036100477 571241560 /nfs/dbraw/zinc/24/15/60/571241560.db2.gz ZNUJVIOCDCIQJL-LJQANCHMSA-N 1 0 363.885 3.537 50 0 FHAARO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COc2ccccc2)c1 ZINC000036100317 571241582 /nfs/dbraw/zinc/24/15/82/571241582.db2.gz RRVSLFCNIPAVTO-FQEVSTJZSA-N 1 0 357.494 3.983 50 0 FHAARO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104291 571242133 /nfs/dbraw/zinc/24/21/33/571242133.db2.gz RIKBEOTWXGZKDY-OAQYLSRUSA-N 1 0 369.436 3.999 50 0 FHAARO O=C(CN1CCCCC1)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000036345193 571248529 /nfs/dbraw/zinc/24/85/29/571248529.db2.gz DIFDMUUHEKWAJU-NRFANRHFSA-N 1 0 365.452 3.989 50 0 FHAARO COc1cccc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000036394287 571252872 /nfs/dbraw/zinc/25/28/72/571252872.db2.gz UIKUOPRCBZAIJO-GOSISDBHSA-N 1 0 366.505 3.786 50 0 FHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000006881870 571252882 /nfs/dbraw/zinc/25/28/82/571252882.db2.gz ASCRJOBFBPUMGA-HXUWFJFHSA-N 1 0 374.488 3.753 50 0 FHAARO COc1cccc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000036394288 571252889 /nfs/dbraw/zinc/25/28/89/571252889.db2.gz UIKUOPRCBZAIJO-SFHVURJKSA-N 1 0 366.505 3.786 50 0 FHAARO COc1ccc2[nH]c(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)c(C)c2c1 ZINC000524733528 571259200 /nfs/dbraw/zinc/25/92/00/571259200.db2.gz RRWLSSLEBFODHA-UHFFFAOYSA-N 1 0 367.449 3.678 50 0 FHAARO Cn1c(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2ccc(Cl)cc21 ZINC000170613633 571267953 /nfs/dbraw/zinc/26/79/53/571267953.db2.gz QDNICQCLJISVMO-WBVHZDCISA-N 1 0 359.901 3.826 50 0 FHAARO O=C(NC1CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000170614512 571268179 /nfs/dbraw/zinc/26/81/79/571268179.db2.gz FQKSKVINDFNZQZ-DLBZAZTESA-N 1 0 354.416 3.746 50 0 FHAARO COc1cccc(C[N@H+](Cc2ccc3c[nH]nc3c2)C2CCC(O)CC2)c1 ZINC000130228782 571275658 /nfs/dbraw/zinc/27/56/58/571275658.db2.gz BDRJXYNZJMFTDW-UHFFFAOYSA-N 1 0 365.477 3.877 50 0 FHAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000252512164 571281865 /nfs/dbraw/zinc/28/18/65/571281865.db2.gz NJPVPHULKXWQDZ-ZTFGCOKTSA-N 1 0 364.534 3.514 50 0 FHAARO CN(C(=O)c1ccc(F)c(COc2ccc(F)cc2)c1)C1CCC([NH3+])CC1 ZINC000170677217 571285102 /nfs/dbraw/zinc/28/51/02/571285102.db2.gz YERQBJNSQUYKLQ-UHFFFAOYSA-N 1 0 374.431 3.886 50 0 FHAARO C[NH+](C)CCNC(=O)c1cc2sccc2n1Cc1ccccc1Cl ZINC000037526405 571287443 /nfs/dbraw/zinc/28/74/43/571287443.db2.gz JFJXIQKYXGCBHY-UHFFFAOYSA-N 1 0 361.898 3.696 50 0 FHAARO COCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000037559948 571287994 /nfs/dbraw/zinc/28/79/94/571287994.db2.gz QTBSEYLZOXDJSQ-UHFFFAOYSA-N 1 0 370.468 3.778 50 0 FHAARO COc1ccc(CNC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000007922372 571294319 /nfs/dbraw/zinc/29/43/19/571294319.db2.gz MYWXQVGGCFVLIL-CQSZACIVSA-N 1 0 369.490 3.614 50 0 FHAARO COc1cc2c(cc1OC)[C@@H](N1CC[NH+](C)CC1)Cc1ccccc1S2 ZINC000033884271 571308547 /nfs/dbraw/zinc/30/85/47/571308547.db2.gz NJINVTPOJJDKII-KRWDZBQOSA-N 1 0 370.518 3.700 50 0 FHAARO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Br)CC1 ZINC000253426686 571313081 /nfs/dbraw/zinc/31/30/81/571313081.db2.gz IFCFQFOOQMTNDU-GFCCVEGCSA-N 1 0 358.251 3.753 50 0 FHAARO CN(Cc1cccc(O)c1)C(=O)NC[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000584894878 571315183 /nfs/dbraw/zinc/31/51/83/571315183.db2.gz BGNCHHJEYHMZHS-SFHVURJKSA-N 1 0 359.514 3.578 50 0 FHAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)[N@@H+]1CCCC(C)(C)C1 ZINC000002308764 571317521 /nfs/dbraw/zinc/31/75/21/571317521.db2.gz IPTLTKDOGSOEOV-AWEZNQCLSA-N 1 0 371.481 3.712 50 0 FHAARO Cn1cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C2CCCCC2)n1 ZINC000585101654 571320582 /nfs/dbraw/zinc/32/05/82/571320582.db2.gz GLNNVSPSVDPEPS-OAHLLOKOSA-N 1 0 361.534 3.710 50 0 FHAARO CCOc1ccc(NC(=O)N(CC[NH+](C)C)[C@H](C)c2cccnc2)cc1 ZINC000037868666 571322852 /nfs/dbraw/zinc/32/28/52/571322852.db2.gz VWGICUWYALNOJQ-MRXNPFEDSA-N 1 0 356.470 3.637 50 0 FHAARO O=C(NCc1ccccc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000390828180 571328257 /nfs/dbraw/zinc/32/82/57/571328257.db2.gz PHPWGEMSZMRUSS-DXBBTUNJSA-N 1 0 365.521 3.791 50 0 FHAARO C[NH+](C)Cc1cccc(CNC(=O)COc2ccccc2C(C)(C)C)c1 ZINC000095349803 571328876 /nfs/dbraw/zinc/32/88/76/571328876.db2.gz CNKNOBYLROLUKE-UHFFFAOYSA-N 1 0 354.494 3.741 50 0 FHAARO COC[C@H]([NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)C1CC1 ZINC000095432521 571329604 /nfs/dbraw/zinc/32/96/04/571329604.db2.gz WMMLBNKOSFQWRJ-FPOVZHCZSA-N 1 0 368.477 3.698 50 0 FHAARO COC[C@@H]([NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)C1CC1 ZINC000095432523 571329612 /nfs/dbraw/zinc/32/96/12/571329612.db2.gz WMMLBNKOSFQWRJ-CTNGQTDRSA-N 1 0 368.477 3.698 50 0 FHAARO O=C1CCCc2c(OC[C@@H](O)C[NH2+]C34CC5CC(CC(C5)C3)C4)cccc21 ZINC000096028132 571334127 /nfs/dbraw/zinc/33/41/27/571334127.db2.gz YOFMLMWFQNWIRR-WMVQRKQLSA-N 1 0 369.505 3.504 50 0 FHAARO CN(C)N1c2ccccc2[C@@](CC[NH+]2CCCCC2)(c2ccccc2)C1=O ZINC000096027504 571334191 /nfs/dbraw/zinc/33/41/91/571334191.db2.gz RCNWGRRPIQNGGP-HSZRJFAPSA-N 1 0 363.505 3.672 50 0 FHAARO O=C(CCSc1ccccc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225685137 571337845 /nfs/dbraw/zinc/33/78/45/571337845.db2.gz LTZSTTDMQZXBOB-FQEVSTJZSA-N 1 0 366.530 3.828 50 0 FHAARO COc1ccc2cc(C(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@@H]34)n(C)c2c1 ZINC000299754411 571338509 /nfs/dbraw/zinc/33/85/09/571338509.db2.gz KNAYXGKHAXKSAB-MJGOQNOKSA-N 1 0 369.509 3.523 50 0 FHAARO O[C@H](COCc1ccccc1F)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002674986 571340386 /nfs/dbraw/zinc/34/03/86/571340386.db2.gz NGHJLQJMRCYSPO-NRFANRHFSA-N 1 0 357.469 3.658 50 0 FHAARO CC[C@@H](CNC(=O)CCc1cccc(OC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000029911557 571344195 /nfs/dbraw/zinc/34/41/95/571344195.db2.gz JYFAVUKULSAHFR-NRFANRHFSA-N 1 0 366.505 3.581 50 0 FHAARO C[C@@H](NC(=S)NCCc1ccccc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211449 571345587 /nfs/dbraw/zinc/34/55/87/571345587.db2.gz NRQMKRQAOPNFFE-VQIMIIECSA-N 1 0 373.591 3.980 50 0 FHAARO Cn1c(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2c1cccc2Cl ZINC000504401803 571347257 /nfs/dbraw/zinc/34/72/57/571347257.db2.gz VYEVFIWPVHADNM-PBHICJAKSA-N 1 0 359.901 3.826 50 0 FHAARO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c2cc(F)ccc2n1 ZINC000504700709 571348848 /nfs/dbraw/zinc/34/88/48/571348848.db2.gz IWGOGVQXAIAKHJ-FOIQADDNSA-N 1 0 355.457 3.677 50 0 FHAARO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000003414475 571349328 /nfs/dbraw/zinc/34/93/28/571349328.db2.gz UHMRZPDSHNJHAN-OAHLLOKOSA-N 1 0 353.466 3.666 50 0 FHAARO CC[NH+](CC)Cc1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1 ZINC000031589136 571352838 /nfs/dbraw/zinc/35/28/38/571352838.db2.gz JMQGDAFXSUZGJB-UHFFFAOYSA-N 1 0 367.493 3.514 50 0 FHAARO COc1ccc([C@@]2(CC[NH2+]C3CCN(C)CC3)CCOC(C)(C)C2)cc1 ZINC000031819145 571353882 /nfs/dbraw/zinc/35/38/82/571353882.db2.gz YFWZPSFRPAVUEZ-QFIPXVFZSA-N 1 0 360.542 3.596 50 0 FHAARO COc1ccc([C@@H](CNC(=O)Cc2ccc3ccccc3c2)[NH+](C)C)cc1 ZINC000007987133 571358173 /nfs/dbraw/zinc/35/81/73/571358173.db2.gz XSLCXLFZWSRXND-JOCHJYFZSA-N 1 0 362.473 3.810 50 0 FHAARO