smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[NH+]1CCC(N(Cc2ccco2)C(=S)Nc2ccccc2Cl)CC1 ZINC000002912838 209397676 /nfs/dbraw/zinc/39/76/76/209397676.db2.gz NGTUXMLOFRGDIZ-UHFFFAOYSA-N 1 0 391.968 5.005 50 0 GKAARO CC(C)(C)c1cc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000002270615 209353851 /nfs/dbraw/zinc/35/38/51/209353851.db2.gz VTKORTGHLCNSAX-NRFANRHFSA-N 1 0 376.544 5.704 50 0 GKAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccco1)c1ccc(OC(C)C)cc1 ZINC000001829762 209340239 /nfs/dbraw/zinc/34/02/39/209340239.db2.gz WOMOOTSCJMEEFY-QFIPXVFZSA-N 1 0 379.500 5.387 50 0 biogenic GKAARO Cc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000010351342 209335963 /nfs/dbraw/zinc/33/59/63/209335963.db2.gz ZLIVROVTRXNGGA-UGSOOPFHSA-N 1 0 377.315 5.370 50 0 GKAARO CC[NH+](CC)CCn1c2ccccc2n2cc(-c3cccc4ccccc43)nc21 ZINC000000716201 209262194 /nfs/dbraw/zinc/26/21/94/209262194.db2.gz YYVBPFPECROXLP-UHFFFAOYSA-N 1 0 382.511 5.451 50 0 GKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccn2)[NH+]2CCCCC2)c1C ZINC000000630637 209253216 /nfs/dbraw/zinc/25/32/16/209253216.db2.gz VZEJFTXULJXTJC-FQEVSTJZSA-N 1 0 395.528 5.181 50 0 GKAARO c1cc(C2CCCCCCCCCCC2)cc2c3c4n(c12)CC[NH2+][C@@H]4CCC3 ZINC000002075324 212262861 /nfs/dbraw/zinc/26/28/61/212262861.db2.gz AXJVCYHYSUEQAL-XMMPIXPASA-N 1 0 378.604 7.010 50 0 GKAARO Cc1ccc([C@]2(CC[NH2+][C@H](C)c3ccc(Cl)cc3)CCOC(C)(C)C2)cc1 ZINC000001902142 212258604 /nfs/dbraw/zinc/25/86/04/212258604.db2.gz AEDWQBNLDJFNFG-NTKDMRAZSA-N 1 0 385.979 6.216 50 0 GKAARO CC(C)(C)c1cc([C@@H](c2ccccc2)[NH+]2CCCCC2)cc(C(C)(C)C)c1O ZINC000001889645 212258541 /nfs/dbraw/zinc/25/85/41/212258541.db2.gz CKEXYVSMAAJUCU-HSZRJFAPSA-N 1 0 379.588 6.563 50 0 GKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(F)cc2)[NH+]2CCCC2)c1C ZINC000000935764 212196890 /nfs/dbraw/zinc/19/68/90/212196890.db2.gz DHJOFSFWEMRHAS-HXUWFJFHSA-N 1 0 398.503 5.535 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)cc1 ZINC000001815761 212145068 /nfs/dbraw/zinc/14/50/68/212145068.db2.gz WLQFTMKJBMLBJR-LOSJGSFVSA-N 1 0 381.560 5.256 50 0 biogenic GKAARO COc1ccccc1C1=C(C[NH+](C)C)[C@H](c2ccc(C)cc2)c2ccccc2O1 ZINC000001405941 212060257 /nfs/dbraw/zinc/06/02/57/212060257.db2.gz DQTAUYVWDPRQGZ-RUZDIDTESA-N 1 0 385.507 5.501 50 0 GKAARO COc1ccc2cc(C[NH2+]Cc3ccccc3F)c(-c3ccsc3)nc2c1 ZINC000299798127 212039176 /nfs/dbraw/zinc/03/91/76/212039176.db2.gz PXBBAQWQVFNQDS-UHFFFAOYSA-N 1 0 378.472 5.401 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(OC)cc2)c2ccccc2OC)cc1 ZINC000001832001 203824030 /nfs/dbraw/zinc/82/40/30/203824030.db2.gz OJPCZQJSRIQTSG-QHCPKHFHSA-N 1 0 391.511 5.024 50 0 biogenic GKAARO COc1ccc(N2CCc3c2c2cc(Oc4ccccc4)ccc2[nH+]c3C)cc1 ZINC000001386289 203905254 /nfs/dbraw/zinc/90/52/54/203905254.db2.gz AZDOESBFPVLBNQ-UHFFFAOYSA-N 1 0 382.463 6.038 50 0 GKAARO CCC[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000003440214 204006249 /nfs/dbraw/zinc/00/62/49/204006249.db2.gz AGQLYJCLKLLNDY-ILBGXUMGSA-N 1 0 375.512 5.224 50 0 GKAARO CCCC[N@H+](C)CCCN(Cc1ccco1)C(=S)Nc1ccc(C)c(C)c1 ZINC000003662453 204017945 /nfs/dbraw/zinc/01/79/45/204017945.db2.gz KJRBUCSIWOCMBK-UHFFFAOYSA-N 1 0 387.593 5.217 50 0 GKAARO Cc1cccc(NC(=S)N(CCC[NH+]2CCCCC2)Cc2cccs2)c1 ZINC000003665479 204018181 /nfs/dbraw/zinc/01/81/81/204018181.db2.gz ALHZHWPPZSECFP-UHFFFAOYSA-N 1 0 387.618 5.132 50 0 GKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)cc2)(c2ccc(C)cc2)CCO1 ZINC000004093980 204026624 /nfs/dbraw/zinc/02/66/24/204026624.db2.gz SJVLUKPXGVQVFR-RPBOFIJWSA-N 1 0 381.560 5.400 50 0 GKAARO Brc1ccc2[nH+]c(CCc3ccccc3)c(NC3CCCCC3)n2c1 ZINC000004155373 204030440 /nfs/dbraw/zinc/03/04/40/204030440.db2.gz FZGUNCUYUQGUIA-UHFFFAOYSA-N 1 0 398.348 5.627 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2cccc(F)c2F)[C@@H](C)C(C)C)c1 ZINC000004735735 204071041 /nfs/dbraw/zinc/07/10/41/204071041.db2.gz LSDNCVFVCJTSAR-FQEVSTJZSA-N 1 0 396.525 6.170 50 0 GKAARO CCC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1C)CC1CCCCC1 ZINC000004733838 204071271 /nfs/dbraw/zinc/07/12/71/204071271.db2.gz IXVOBRMJQGQZGU-VWLOTQADSA-N 1 0 382.592 5.388 50 0 GKAARO Brc1ccc(NC2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000004749429 204073096 /nfs/dbraw/zinc/07/30/96/204073096.db2.gz RUIAQYZLSQXQFC-UHFFFAOYSA-N 1 0 395.344 5.679 50 0 GKAARO COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1F ZINC000004653398 204059735 /nfs/dbraw/zinc/05/97/35/204059735.db2.gz XHUOVHUTIIWKRG-UHFFFAOYSA-N 1 0 395.518 5.472 50 0 GKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005093854 204111215 /nfs/dbraw/zinc/11/12/15/204111215.db2.gz CNQGAEKVQKGUFW-NRFANRHFSA-N 1 0 395.934 5.086 50 0 GKAARO Cc1cc(C)c(NC(=O)[C@@H]2CCCC[N@@H+]2C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000004990160 204101004 /nfs/dbraw/zinc/10/10/04/204101004.db2.gz MQBHDIRQAAYOCS-UQQXROCHSA-N 1 0 380.576 5.374 50 0 GKAARO Fc1ccc(C[NH+]2CCC(c3cc(-c4cccc5ccccc54)n[nH]3)CC2)cc1 ZINC000005762757 204150172 /nfs/dbraw/zinc/15/01/72/204150172.db2.gz MBNLQXNNAXUKFU-UHFFFAOYSA-N 1 0 385.486 5.749 50 0 GKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000006832867 204213937 /nfs/dbraw/zinc/21/39/37/204213937.db2.gz KSJPEQZRNDGLIS-OAQYLSRUSA-N 1 0 395.934 5.084 50 0 GKAARO CCN1C=CC(=C/C=C/C=C/c2cc[n+](CC)c3ccccc23)c2ccccc21 ZINC000006350970 204175214 /nfs/dbraw/zinc/17/52/14/204175214.db2.gz MLENNECRNUHQQS-UHFFFAOYSA-N 1 0 379.527 6.154 50 0 GKAARO CC1(C)C[C@@](CC[NH2+]Cc2ccccn2)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000006661601 204190393 /nfs/dbraw/zinc/19/03/93/204190393.db2.gz AXTVNRGUZVFZIU-NRFANRHFSA-N 1 0 392.465 5.107 50 0 GKAARO Clc1ccc([C@@H](CC[NH+]2Cc3ccccc3C2)Cc2ccccc2Cl)cc1 ZINC000006661316 204190646 /nfs/dbraw/zinc/19/06/46/204190646.db2.gz YQFIRNJNNWCNNX-IBGZPJMESA-N 1 0 396.361 6.726 50 0 GKAARO Clc1ccc(OCCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c2ccccc12 ZINC000006719417 204194391 /nfs/dbraw/zinc/19/43/91/204194391.db2.gz NWFJBZAKQAMEAA-HSZRJFAPSA-N 1 0 394.946 6.274 50 0 GKAARO CCc1ccc([C@H](CNc2ncnc3sc4c(c32)CCCCC4)[NH+](C)C)cc1 ZINC000006881311 204220896 /nfs/dbraw/zinc/22/08/96/204220896.db2.gz FBOMMAILBBJCEW-IBGZPJMESA-N 1 0 394.588 5.237 50 0 GKAARO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCc1cccs1 ZINC000007540018 204241948 /nfs/dbraw/zinc/24/19/48/204241948.db2.gz PGFDEKFWBYBNCU-UHFFFAOYSA-N 1 0 387.932 5.587 50 0 GKAARO COCC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008469030 204277334 /nfs/dbraw/zinc/27/73/34/204277334.db2.gz HPHBMFWSBVVTPM-UHFFFAOYSA-N 1 0 390.310 5.462 50 0 GKAARO CCC1(O)[C@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000009358854 204308387 /nfs/dbraw/zinc/30/83/87/204308387.db2.gz LRKCWFYHHUSIOT-CUFOAUDUSA-N 1 0 378.343 5.792 50 0 GKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000009942470 204328061 /nfs/dbraw/zinc/32/80/61/204328061.db2.gz RJXSMTCNWROJID-UHFFFAOYSA-N 1 0 396.560 5.136 50 0 GKAARO Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](Cc4cccc(C)n4)CC3)cc2)c1 ZINC000011821270 204355477 /nfs/dbraw/zinc/35/54/77/204355477.db2.gz AGHFNVNDQUNMNL-UHFFFAOYSA-N 1 0 399.538 5.216 50 0 GKAARO O=C(CCC1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccccc1Cl ZINC000011838433 204356216 /nfs/dbraw/zinc/35/62/16/204356216.db2.gz WTPASCGZPRNQIH-RMKNXTFCSA-N 1 0 382.935 5.484 50 0 GKAARO C=Cc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)cc1 ZINC000011843597 204357712 /nfs/dbraw/zinc/35/77/12/204357712.db2.gz CLYXRYUKYCKHSH-UHFFFAOYSA-N 1 0 396.962 5.010 50 0 GKAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3OC)oc2C)c1 ZINC000011933821 204362862 /nfs/dbraw/zinc/36/28/62/204362862.db2.gz ZAEJNKLUJOLPRW-OAQYLSRUSA-N 1 0 378.472 5.004 50 0 GKAARO Fc1ccc(-c2nc3cc4c(cc3cc2C[NH2+]Cc2ccsc2)OCO4)cc1 ZINC000012150729 204377458 /nfs/dbraw/zinc/37/74/58/204377458.db2.gz ZPODJYRQOYYWSL-UHFFFAOYSA-N 1 0 392.455 5.121 50 0 GKAARO Cc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)s1 ZINC000012304175 204393509 /nfs/dbraw/zinc/39/35/09/204393509.db2.gz VDWYWIHJZIJUFW-QFIPXVFZSA-N 1 0 397.632 5.498 50 0 GKAARO Fc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCCC2)cc1 ZINC000016401763 204594364 /nfs/dbraw/zinc/59/43/64/204594364.db2.gz LKUBZGJCTXWGSG-UHFFFAOYSA-N 1 0 392.312 5.590 50 0 GKAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)c(C)c1 ZINC000036098997 205006621 /nfs/dbraw/zinc/00/66/21/205006621.db2.gz JOINITSSBQMBFL-VWLOTQADSA-N 1 0 377.503 5.048 50 0 GKAARO CCC[N@H+](Cc1ccc(C(O)(C=C(C)C)C=C(C)C)o1)Cc1ccc(OC)cc1 ZINC000036167691 205008662 /nfs/dbraw/zinc/00/86/62/205008662.db2.gz OJCNYCOKAKJMPL-UHFFFAOYSA-N 1 0 397.559 5.820 50 0 GKAARO COc1ccc(OC)c(C[N@@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c1 ZINC000036348133 205012182 /nfs/dbraw/zinc/01/21/82/205012182.db2.gz RQONBWWAEZTKLP-RUZDIDTESA-N 1 0 390.527 5.117 50 0 GKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C)cc2C)cc1OC ZINC000036348470 205012255 /nfs/dbraw/zinc/01/22/55/205012255.db2.gz SGVQCTVVIAOQPX-VWLOTQADSA-N 1 0 390.527 5.117 50 0 GKAARO c1ccc(OC2=CC[N@H+](CCCN(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000039281600 205041273 /nfs/dbraw/zinc/04/12/73/205041273.db2.gz NDSSAGBYFWYICD-UHFFFAOYSA-N 1 0 384.523 5.883 50 0 GKAARO COc1ccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000037559631 205028122 /nfs/dbraw/zinc/02/81/22/205028122.db2.gz JOFQWONOPFWILO-UHFFFAOYSA-N 1 0 394.559 5.047 50 0 GKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3cccs3)c3ccccc3)CC2)cc1 ZINC000037559515 205028511 /nfs/dbraw/zinc/02/85/11/205028511.db2.gz VUKDPUWRPVRRBH-UHFFFAOYSA-N 1 0 390.552 5.368 50 0 GKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccnc2)[NH+]2CCCC2)c1C ZINC000038546883 205037546 /nfs/dbraw/zinc/03/75/46/205037546.db2.gz UTAMEGKHYGZRAE-LJQANCHMSA-N 1 0 397.569 5.259 50 0 GKAARO CSc1ccc(C[N@H+](Cc2ccc3cc(NC(C)=O)ccc3n2)C2CC2)cc1 ZINC000055327321 205147126 /nfs/dbraw/zinc/14/71/26/205147126.db2.gz XLBRNHSBIGEZFT-UHFFFAOYSA-N 1 0 391.540 5.080 50 0 GKAARO CC1=C(C)[C@@H]([NH2+]C2CCCCCCCCCCC2)N(Cc2ccccc2)C1=O ZINC000057284704 205155511 /nfs/dbraw/zinc/15/55/11/205155511.db2.gz WEHAAMMBWDNXJR-DEOSSOPVSA-N 1 0 382.592 5.954 50 0 GKAARO COc1cc(C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)ccc1OC(F)F ZINC000058014353 205162950 /nfs/dbraw/zinc/16/29/50/205162950.db2.gz JNVSQQMYMWJKSD-IBGZPJMESA-N 1 0 393.430 5.376 50 0 GKAARO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058163964 205166410 /nfs/dbraw/zinc/16/64/10/205166410.db2.gz WPOLOFLHBVULOI-INIZCTEOSA-N 1 0 394.902 5.055 50 0 GKAARO CC(C)(C)P1Cc2ccccc2[C@@H]1[C@H]1c2ccccc2C[P@@H+]1C(C)(C)C ZINC000060290780 205179482 /nfs/dbraw/zinc/17/94/82/205179482.db2.gz HCBRTCFUVLYSKU-URFUVCHWSA-N 1 0 382.468 8.057 50 0 GKAARO FC(F)(F)c1cccc(CC[C@H]2CCC[N@H+](Cc3cncn3C3CC3)C2)c1 ZINC000072143554 205310980 /nfs/dbraw/zinc/31/09/80/205310980.db2.gz OOSWQAKVBMXMOV-QGZVFWFLSA-N 1 0 377.454 5.082 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000004027184 206293418 /nfs/dbraw/zinc/29/34/18/206293418.db2.gz QSHBTIIFXSODCK-VXKWHMMOSA-N 1 0 397.559 5.173 50 0 biogenic GKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(F)cc2)[NH+]2CCCC2)c1C ZINC000000935765 206334640 /nfs/dbraw/zinc/33/46/40/206334640.db2.gz DHJOFSFWEMRHAS-FQEVSTJZSA-N 1 0 398.503 5.535 50 0 GKAARO CCC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)c(C(C)(C)CC)c1 ZINC000000938376 206335133 /nfs/dbraw/zinc/33/51/33/206335133.db2.gz DLRKJICJRVVRCV-FQEVSTJZSA-N 1 0 375.597 5.287 50 0 GKAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3cc(C)ccc3Cl)CC2)c(C)c1 ZINC000001069915 206348231 /nfs/dbraw/zinc/34/82/31/206348231.db2.gz OGMPHYQPNSUBSE-UHFFFAOYSA-N 1 0 399.966 5.299 50 0 GKAARO COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2ccccc2)cc1 ZINC000001447727 206381743 /nfs/dbraw/zinc/38/17/43/206381743.db2.gz UEEQRGWIVDJPBA-UHFFFAOYSA-N 1 0 392.462 5.840 50 0 GKAARO CCN1c2ccccc2S/C1=C\C=C\C=C\c1sc2ccccc2[n+]1CC ZINC000001628132 206387562 /nfs/dbraw/zinc/38/75/62/206387562.db2.gz FYXWDSGGZAMYFZ-UHFFFAOYSA-N 1 0 391.585 6.252 50 0 in-man GKAARO Cc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000010351347 206388654 /nfs/dbraw/zinc/38/86/54/206388654.db2.gz ZLIVROVTRXNGGA-FZKQIMNGSA-N 1 0 377.315 5.370 50 0 GKAARO CC1(C)C[C@H]([NH2+]CC[C@]2(c3ccc(Cl)cc3)CCOC(C)(C)C2)CCO1 ZINC000095479275 211248895 /nfs/dbraw/zinc/24/88/95/211248895.db2.gz ZYHHAMIZRMGREI-KNQAVFIVSA-N 1 0 379.972 5.104 50 0 GKAARO CC(C)n1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000086048533 211178604 /nfs/dbraw/zinc/17/86/04/211178604.db2.gz WDHHLKZGVLQROO-UHFFFAOYSA-N 1 0 396.922 5.119 50 0 GKAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000078714188 211149776 /nfs/dbraw/zinc/14/97/76/211149776.db2.gz CJUOCLDYUCOARO-JXFKEZNVSA-N 1 0 394.515 5.120 50 0 GKAARO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000011818318 206834952 /nfs/dbraw/zinc/83/49/52/206834952.db2.gz ZTBOJCYKMUSQMH-QFIPXVFZSA-N 1 0 388.490 5.296 50 0 GKAARO CC(C)=CCC[C@H](C)C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2)CC1 ZINC000012571726 206913927 /nfs/dbraw/zinc/91/39/27/206913927.db2.gz KIEJMXQYTIUZKW-FQEVSTJZSA-N 1 0 394.563 5.155 50 0 GKAARO CSc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cc1 ZINC000015003818 207040459 /nfs/dbraw/zinc/04/04/59/207040459.db2.gz RZYVGFWEPYTLIZ-GOSISDBHSA-N 1 0 381.520 5.317 50 0 GKAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000015074592 207046568 /nfs/dbraw/zinc/04/65/68/207046568.db2.gz RNCCLBXRJOACFL-LJQANCHMSA-N 1 0 376.525 5.052 50 0 GKAARO CC[C@@H](C)C[N@@H+]1CCC[C@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 ZINC000039360221 210761591 /nfs/dbraw/zinc/76/15/91/210761591.db2.gz CLVPDTFXZFHDDH-KNQAVFIVSA-N 1 0 386.543 5.431 50 0 GKAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000015679748 207056306 /nfs/dbraw/zinc/05/63/06/207056306.db2.gz UFABZCSRVUJYOI-UHFFFAOYSA-N 1 0 391.968 5.228 50 0 GKAARO COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCc2ccccc2-3)cc1 ZINC000015953189 207068431 /nfs/dbraw/zinc/06/84/31/207068431.db2.gz LLCHPKABGFRGHB-UHFFFAOYSA-N 1 0 387.890 5.182 50 0 GKAARO Clc1cccc(C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)c1 ZINC000016995192 207081342 /nfs/dbraw/zinc/08/13/42/207081342.db2.gz SNTRNEHJGCYQDW-UHFFFAOYSA-N 1 0 378.710 5.397 50 0 GKAARO COc1ccc(-c2c[n+](C(c3ccccc3)c3ccccc3)c3n2CCC3)cc1 ZINC000017209491 207088176 /nfs/dbraw/zinc/08/81/76/207088176.db2.gz SGOHHLPRIOVJFF-UHFFFAOYSA-N 1 0 381.499 5.035 50 0 GKAARO COc1ccc2oc(=O)cc(C[NH+](Cc3ccccc3)Cc3ccccc3)c2c1 ZINC000020353098 207188385 /nfs/dbraw/zinc/18/83/85/207188385.db2.gz MSGOCLLXQCMITE-UHFFFAOYSA-N 1 0 385.463 5.004 50 0 GKAARO COc1ccc2oc(=O)cc(C[N@H+](Cc3ccco3)[C@@H]3CCC[C@@H](C)[C@@H]3C)c2c1 ZINC000020446877 207192691 /nfs/dbraw/zinc/19/26/91/207192691.db2.gz DUYKSUKMPDEBPO-HYFFOGBASA-N 1 0 395.499 5.222 50 0 GKAARO CCOc1ccc2oc(=O)cc(C[NH+](Cc3ccccc3)Cc3ccccc3)c2c1 ZINC000020446886 207193172 /nfs/dbraw/zinc/19/31/72/207193172.db2.gz RTPZYFKPIZWKFJ-UHFFFAOYSA-N 1 0 399.490 5.394 50 0 GKAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000020874235 207216296 /nfs/dbraw/zinc/21/62/96/207216296.db2.gz AWAOTMJXYPXHKO-SANMLTNESA-N 1 0 397.518 5.550 50 0 GKAARO CCOc1cccc(-c2cccc(-c3nc(C[NH+]4CCC(C)CC4)cs3)c2)c1 ZINC000023326166 207273274 /nfs/dbraw/zinc/27/32/74/207273274.db2.gz LCKQRRRACQHCMM-UHFFFAOYSA-N 1 0 392.568 6.108 50 0 GKAARO CC(C)[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccccc1 ZINC000024922629 207297166 /nfs/dbraw/zinc/29/71/66/207297166.db2.gz RSCRNRNMTARWOF-NRFANRHFSA-N 1 0 389.524 5.139 50 0 GKAARO Clc1ccc([C@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025426280 207302690 /nfs/dbraw/zinc/30/26/90/207302690.db2.gz SJUNBXNHZLULCE-PGRDOPGGSA-N 1 0 393.317 6.299 50 0 GKAARO COc1ccc2cc(C[NH2+]Cc3ccccc3OCc3ccccn3)ccc2c1 ZINC000025312263 207302749 /nfs/dbraw/zinc/30/27/49/207302749.db2.gz MSLHKXLOYLQFAB-UHFFFAOYSA-N 1 0 384.479 5.112 50 0 GKAARO Cc1ccc(C(=O)C2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)c(C)c1 ZINC000026644497 207318237 /nfs/dbraw/zinc/31/82/37/207318237.db2.gz JWERXJLLKFTSNG-MRXNPFEDSA-N 1 0 395.528 5.071 50 0 GKAARO Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000028293595 207339342 /nfs/dbraw/zinc/33/93/42/207339342.db2.gz WPEQMQSKWGIJPC-LJQANCHMSA-N 1 0 396.556 5.458 50 0 GKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000028287602 207339396 /nfs/dbraw/zinc/33/93/96/207339396.db2.gz VKEVZOGERICKCH-SFHVURJKSA-N 1 0 382.529 5.068 50 0 GKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000028287798 207339587 /nfs/dbraw/zinc/33/95/87/207339587.db2.gz GKTLHMHNEFVDME-MRXNPFEDSA-N 1 0 388.920 5.023 50 0 GKAARO C[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925553 207351120 /nfs/dbraw/zinc/35/11/20/207351120.db2.gz HCOMTPYTVODMFE-HNNXBMFYSA-N 1 0 378.447 5.285 50 0 GKAARO O=C(Nc1ccccc1)C1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000058297997 207773174 /nfs/dbraw/zinc/77/31/74/207773174.db2.gz LZQVUWLJUSVCND-UHFFFAOYSA-N 1 0 388.964 5.173 50 0 GKAARO CSc1ccc2cc(C[N@@H+]3CCC[C@@H](O)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072472838 208029670 /nfs/dbraw/zinc/02/96/70/208029670.db2.gz YGVQORYUCPEQIG-LJQANCHMSA-N 1 0 398.959 5.234 50 0 GKAARO Cc1cccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000096236628 208291175 /nfs/dbraw/zinc/29/11/75/208291175.db2.gz QGYWTGZWCAOYTI-DNQXCXABSA-N 1 0 384.523 5.239 50 0 GKAARO COc1ccccc1OCCCn1c2ccccc2nc1[C@H](C)[NH+]1CCCCC1 ZINC000021783109 210393814 /nfs/dbraw/zinc/39/38/14/210393814.db2.gz WRVDWKNVWYTDIQ-IBGZPJMESA-N 1 0 393.531 5.061 50 0 GKAARO Cc1ccc(C[NH2+]Cc2c(OCc3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000020874264 210364770 /nfs/dbraw/zinc/36/47/70/210364770.db2.gz QAQLQAWDUKLBOM-UHFFFAOYSA-N 1 0 381.519 6.325 50 0 GKAARO Cc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001801343 208498383 /nfs/dbraw/zinc/49/83/83/208498383.db2.gz GSDFCHVNBSMNQD-WXVAWEFUSA-N 1 0 387.567 6.655 50 0 biogenic GKAARO Fc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1F ZINC000020598349 210350850 /nfs/dbraw/zinc/35/08/50/210350850.db2.gz CZPDLHATWPOPCA-CQSZACIVSA-N 1 0 389.396 5.013 50 0 GKAARO O=C(NC1CCCCCCC1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020567861 210348354 /nfs/dbraw/zinc/34/83/54/210348354.db2.gz LBSIYPGHVJJMNG-UHFFFAOYSA-N 1 0 376.544 5.088 50 0 GKAARO OC(C[NH2+]Cc1ccccc1F)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365335 210329531 /nfs/dbraw/zinc/32/95/31/210329531.db2.gz DFZDGPPLFSPOKR-UHFFFAOYSA-N 1 0 390.285 5.158 50 0 GKAARO O[C@@](C[NH2+]Cc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccc(F)cc1 ZINC000020365964 210329678 /nfs/dbraw/zinc/32/96/78/210329678.db2.gz TUDHZAKGQTXOSS-NRFANRHFSA-N 1 0 390.285 5.158 50 0 GKAARO CCCCCC[C@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020447585 210333255 /nfs/dbraw/zinc/33/32/55/210333255.db2.gz USSCYZYKABYKAR-DQEYMECFSA-N 1 0 399.550 5.100 50 0 GKAARO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)s1 ZINC000019836869 210301410 /nfs/dbraw/zinc/30/14/10/210301410.db2.gz MSDMSECZCXWOFN-OAQYLSRUSA-N 1 0 376.525 5.213 50 0 GKAARO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](c3cccc(C)c3)C2)c(C)o1 ZINC000019884836 210304272 /nfs/dbraw/zinc/30/42/72/210304272.db2.gz QQUIKEOGZJYBSM-HXUWFJFHSA-N 1 0 376.500 5.347 50 0 GKAARO COc1ccc([C@@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 ZINC000002450317 220534909 /nfs/dbraw/zinc/53/49/09/220534909.db2.gz NBOHSATYJQEGLE-OSPHWJPCSA-N 1 0 397.921 6.361 50 0 GKAARO CCN(CC)c1ccc2cc(C(=O)Nc3cccc4ccccc43)c(=[NH2+])oc2c1 ZINC000004718440 220755186 /nfs/dbraw/zinc/75/51/86/220755186.db2.gz NREQVYQPTUXJOL-UHFFFAOYSA-N 1 0 385.467 5.164 50 0 GKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH2+]CC(C)C)cc(=O)oc2c1C ZINC000096113839 209011067 /nfs/dbraw/zinc/01/10/67/209011067.db2.gz IAEVGUXMGFRUTO-UHFFFAOYSA-N 1 0 390.483 5.272 50 0 biogenic GKAARO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@H]2C[C@@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000253623584 209044439 /nfs/dbraw/zinc/04/44/39/209044439.db2.gz MVUKDQDMGIMFPT-SPQBDHHPSA-N 1 0 379.632 6.460 50 0 GKAARO Clc1ccc(Cl)c(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)c1 ZINC000007524502 221000228 /nfs/dbraw/zinc/00/02/28/221000228.db2.gz IDKGNNVMESZALX-UHFFFAOYSA-N 1 0 376.239 5.272 50 0 GKAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1cccc2ccccc21 ZINC000008863156 221061655 /nfs/dbraw/zinc/06/16/55/221061655.db2.gz GRBOGFRADZIHTD-JOCHJYFZSA-N 1 0 378.541 5.248 50 0 GKAARO Clc1ccc(OCCC[N@@H+]2CCCC[C@H]2c2cccnc2)c2ccccc12 ZINC000008742591 221053586 /nfs/dbraw/zinc/05/35/86/221053586.db2.gz LBPIAAWOVWKQMR-QFIPXVFZSA-N 1 0 380.919 5.884 50 0 biogenic GKAARO Cc1cccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2ccccc2OC(F)F)c1C ZINC000011762994 221124428 /nfs/dbraw/zinc/12/44/28/221124428.db2.gz MOUYMAXEHYVANZ-LJQANCHMSA-N 1 0 397.469 5.258 50 0 GKAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000011662565 221118958 /nfs/dbraw/zinc/11/89/58/221118958.db2.gz YMIVNLFHTRDMSO-QFIPXVFZSA-N 1 0 375.516 5.341 50 0 GKAARO COc1cc(-c2nc(C[N@@H+](Cc3ccccc3)CC3CC3)c(C)o2)ccc1F ZINC000012051799 221144277 /nfs/dbraw/zinc/14/42/77/221144277.db2.gz YYGXZVAGHFCSCM-UHFFFAOYSA-N 1 0 380.463 5.210 50 0 GKAARO CSc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000012037702 221144306 /nfs/dbraw/zinc/14/43/06/221144306.db2.gz MPJYYXWLRMMEOE-JOCHJYFZSA-N 1 0 398.616 5.017 50 0 GKAARO Cc1nn(C(C)C)c(C)c1C[NH2+][C@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1 ZINC000012298291 221175970 /nfs/dbraw/zinc/17/59/70/221175970.db2.gz QBZWQGIJWWMWKF-QHCPKHFHSA-N 1 0 391.563 5.051 50 0 GKAARO c1c2ccccc2[nH]c1C[NH+]1CCC(n2c(C3CCC3)nc3cccnc32)CC1 ZINC000012454614 221198103 /nfs/dbraw/zinc/19/81/03/221198103.db2.gz ZWJHEJWTYHYGQG-UHFFFAOYSA-N 1 0 385.515 5.017 50 0 GKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](CCC(C)C)C2)cc1 ZINC000012455538 221198429 /nfs/dbraw/zinc/19/84/29/221198429.db2.gz GHZMPHQBHAWFRM-FQEVSTJZSA-N 1 0 380.532 5.059 50 0 GKAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)cnn1-c1cccc(F)c1 ZINC000012570431 221208717 /nfs/dbraw/zinc/20/87/17/221208717.db2.gz ZZKPBWLSPKGOAU-CYBMUJFWSA-N 1 0 377.385 5.189 50 0 GKAARO Fc1ccc(-n2cc(C[NH2+]Cc3ccco3)c(-c3ccccc3Cl)n2)cc1 ZINC000012593996 221213627 /nfs/dbraw/zinc/21/36/27/221213627.db2.gz WAIQXLPGNXQMSM-UHFFFAOYSA-N 1 0 381.838 5.215 50 0 GKAARO Cc1c([C@H](C)[NH2+]Cc2ccc(Cl)c(F)c2)cnn1-c1ccc(F)cc1F ZINC000012748027 221223507 /nfs/dbraw/zinc/22/35/07/221223507.db2.gz HHXFQRGUPMBEHS-NSHDSACASA-N 1 0 379.813 5.102 50 0 GKAARO C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000012810594 221234555 /nfs/dbraw/zinc/23/45/55/221234555.db2.gz HIHAZBDOOVQUIU-GHMZBOCLSA-N 1 0 388.792 5.176 50 0 GKAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000012856812 221238644 /nfs/dbraw/zinc/23/86/44/221238644.db2.gz QDQVYMCVPNDTTF-JOCHJYFZSA-N 1 0 380.532 5.176 50 0 GKAARO CCC[C@]1(O)C[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000013597167 221277222 /nfs/dbraw/zinc/27/72/22/221277222.db2.gz JNMBOTCAWAEZQM-DJJZHVJBSA-N 1 0 378.343 5.936 50 0 GKAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC000013758879 221288284 /nfs/dbraw/zinc/28/82/84/221288284.db2.gz BYWHFODVRVSDOY-MDNUFGMLSA-N 1 0 385.935 5.217 50 0 GKAARO CC(C)Oc1ccccc1OCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000013654404 221279549 /nfs/dbraw/zinc/27/95/49/221279549.db2.gz PFOJQVCDCGQMTC-UHFFFAOYSA-N 1 0 396.556 5.342 50 0 GKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](CC(C)(C)C)C2)cc1 ZINC000014964451 221322385 /nfs/dbraw/zinc/32/23/85/221322385.db2.gz CYTMGDNATAILEF-IBGZPJMESA-N 1 0 380.532 5.059 50 0 GKAARO COc1cccc(NC(=O)CCC2CC[NH+](CC[C@H](C)c3ccc(C)o3)CC2)c1 ZINC000014965430 221322431 /nfs/dbraw/zinc/32/24/31/221322431.db2.gz ORZZSQJYEGYGLJ-SFHVURJKSA-N 1 0 398.547 5.221 50 0 GKAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000014966690 221322551 /nfs/dbraw/zinc/32/25/51/221322551.db2.gz KITYOUYVGUBPLY-UHFFFAOYSA-N 1 0 394.446 5.062 50 0 GKAARO O=C(CC[C@H]1CCC[N@@H+](Cc2sc3ccccc3c2Cl)C1)N1CCCC1 ZINC000015079378 221333114 /nfs/dbraw/zinc/33/31/14/221333114.db2.gz ONQJRSPXJULCRX-MRXNPFEDSA-N 1 0 390.980 5.169 50 0 GKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3cccnc3)CCC[C@]21C ZINC000015226936 221334105 /nfs/dbraw/zinc/33/41/05/221334105.db2.gz HLBOPDVKVWFGHS-UODIDJSMSA-N 1 0 376.588 6.005 50 0 GKAARO FC(F)(F)[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000015443840 221336685 /nfs/dbraw/zinc/33/66/85/221336685.db2.gz CAJDEKFKGHLHPF-IBGZPJMESA-N 1 0 385.433 5.314 50 0 GKAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+][C@@H]3CCOC(C)(C)C3)cc2c1 ZINC000015066630 221329324 /nfs/dbraw/zinc/32/93/24/221329324.db2.gz IWZHEXOWZIHZPL-OAQYLSRUSA-N 1 0 378.491 5.397 50 0 GKAARO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000015074593 221331594 /nfs/dbraw/zinc/33/15/94/221331594.db2.gz RNCCLBXRJOACFL-IBGZPJMESA-N 1 0 376.525 5.052 50 0 GKAARO Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1 ZINC000015862319 221350076 /nfs/dbraw/zinc/35/00/76/221350076.db2.gz XCYABYSKFDHVBM-UHFFFAOYSA-N 1 0 396.534 5.656 50 0 GKAARO CC(C)C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862295 221350489 /nfs/dbraw/zinc/35/04/89/221350489.db2.gz LBCADIVVPKPLQM-UHFFFAOYSA-N 1 0 389.326 5.493 50 0 GKAARO Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000017794265 221385280 /nfs/dbraw/zinc/38/52/80/221385280.db2.gz CYDZCSHQCALWAZ-OAQYLSRUSA-N 1 0 390.458 5.066 50 0 GKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020330071 221482648 /nfs/dbraw/zinc/48/26/48/221482648.db2.gz JNMDEQQCBJKAPC-GJZGRUSLSA-N 1 0 399.926 5.003 50 0 GKAARO CC[N@H+](Cc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1)C(C)C ZINC000060350648 136155768 /nfs/dbraw/zinc/15/57/68/136155768.db2.gz IVYQCTHZMIVHOA-UHFFFAOYSA-N 1 0 388.964 5.323 50 0 GKAARO Fc1ccccc1C[N@@H+]1CCCC12CCN(c1ccc3ncccc3c1)CC2 ZINC000072431227 136170038 /nfs/dbraw/zinc/17/00/38/136170038.db2.gz QHTVPUKJCRJMAH-UHFFFAOYSA-N 1 0 375.491 5.009 50 0 GKAARO C[NH+]1CCN(c2ccc3c(c2)SCc2ccccc2[C@@H]3c2ccccc2)CC1 ZINC000004115695 136193733 /nfs/dbraw/zinc/19/37/33/136193733.db2.gz BVXCCSFQDANQEN-VWLOTQADSA-N 1 0 386.564 5.224 50 0 GKAARO C[C@@H]1[C@H]2CC[C@H](C)C[N@@H+]2[C@@H]2C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]21 ZINC000257348295 209080944 /nfs/dbraw/zinc/08/09/44/209080944.db2.gz DCQBOIHKCBTVFH-SPAZHGMOSA-N 1 0 397.647 5.943 50 0 GKAARO CC1(C)C[C@@H]([NH2+]Cc2cc3ccc(Cl)cc3nc2-c2ccsc2)CCO1 ZINC000299778699 209086243 /nfs/dbraw/zinc/08/62/43/209086243.db2.gz PLBBRMDIPRMHFV-SFHVURJKSA-N 1 0 386.948 5.664 50 0 GKAARO Clc1ccc(-c2csc3ncnc(NCCC[NH+]4CCCCC4)c23)cc1 ZINC000021933194 221548115 /nfs/dbraw/zinc/54/81/15/221548115.db2.gz WSMWSAWYXGZLRL-UHFFFAOYSA-N 1 0 386.952 5.300 50 0 GKAARO O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000055901230 222025113 /nfs/dbraw/zinc/02/51/13/222025113.db2.gz REPWZTOCBJTEPU-JOCHJYFZSA-N 1 0 394.902 5.104 50 0 GKAARO CC[N@H+](Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)Cc1ccncc1 ZINC000055118808 222015636 /nfs/dbraw/zinc/01/56/36/222015636.db2.gz DWLIYOLWIXGRBG-UHFFFAOYSA-N 1 0 398.510 5.297 50 0 GKAARO Cc1ccc(-c2ccsc2C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000058157961 222041338 /nfs/dbraw/zinc/04/13/38/222041338.db2.gz JJAIYQXXLBFLOB-UHFFFAOYSA-N 1 0 382.573 5.108 50 0 GKAARO CN1N=C2/C(=C/c3ccccc3)C[N@@H+](Cc3ccccc3)C[C@H]2[C@H]1c1ccccc1 ZINC000063111068 222066511 /nfs/dbraw/zinc/06/65/11/222066511.db2.gz SPPOYKISQNMIHA-AOOMJTDYSA-N 1 0 393.534 5.245 50 0 GKAARO CCc1ccc(-c2nc3ccccn3c2C[NH2+]Cc2ccccc2Cl)cc1 ZINC000063666737 222068137 /nfs/dbraw/zinc/06/81/37/222068137.db2.gz LVNUHSSUPCSPGN-UHFFFAOYSA-N 1 0 375.903 5.507 50 0 GKAARO C[C@@H](C[N@@H+]1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1)c1ccccc1 ZINC000067540747 222147819 /nfs/dbraw/zinc/14/78/19/222147819.db2.gz GCFGPHZMOXBKTO-INIZCTEOSA-N 1 0 394.902 5.106 50 0 GKAARO Cc1cc(C)c(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000072280562 222218459 /nfs/dbraw/zinc/21/84/59/222218459.db2.gz DZDKASNOADFFLJ-KRWDZBQOSA-N 1 0 379.548 5.165 50 0 GKAARO CSc1ccc2cc(C[NH+]3CCC(O)CC3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072418291 222256901 /nfs/dbraw/zinc/25/69/01/222256901.db2.gz GXBJVORCQWQJGK-UHFFFAOYSA-N 1 0 398.959 5.234 50 0 GKAARO CSc1ccc2cc(CN3CC[NH+](C)CC3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072432576 222261490 /nfs/dbraw/zinc/26/14/90/222261490.db2.gz SFKMPGRVKJMXPG-UHFFFAOYSA-N 1 0 397.975 5.025 50 0 GKAARO COc1ccc([C@@H]2[NH2+]C[C@@H](c3ccc(N(C)C)cc3)c3c4ccccc4[nH]c32)cc1 ZINC000083854278 222313008 /nfs/dbraw/zinc/31/30/08/222313008.db2.gz LQBLVWJDOSDWSD-DHLKQENFSA-N 1 0 397.522 5.067 50 0 GKAARO Cc1ccc(C)c([C@@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000096183717 222397212 /nfs/dbraw/zinc/39/72/12/222397212.db2.gz ZMAFSSRCWXFGEV-RUZDIDTESA-N 1 0 399.538 5.243 50 0 GKAARO CC1(C)C[C@@H]([NH2+]CC[C@@]2(c3ccc(Cl)cc3)CCOC(C)(C)C2)CCO1 ZINC000095479278 529139313 /nfs/dbraw/zinc/13/93/13/529139313.db2.gz ZYHHAMIZRMGREI-SIKLNZKXSA-N 1 0 379.972 5.104 50 0 GKAARO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000006087007 570210214 /nfs/dbraw/zinc/21/02/14/570210214.db2.gz CHBMGSJSWVVCFL-KTTHYJOASA-N 1 0 385.592 5.134 50 0 GKAARO O=C(Nc1ccc(Cl)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019761360 570216766 /nfs/dbraw/zinc/21/67/66/570216766.db2.gz MRLAGAZWHNUUGA-UHFFFAOYSA-N 1 0 376.887 5.151 50 0 GKAARO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C2CCCC2)cc1 ZINC000000702023 570218233 /nfs/dbraw/zinc/21/82/33/570218233.db2.gz XOXYCYRGXBUQJF-UHFFFAOYSA-N 1 0 376.544 5.129 50 0 GKAARO C[NH+](C)CCOc1ccc(N[C@H]2c3ccccc3CSc3ccccc32)cc1 ZINC000000702112 570218342 /nfs/dbraw/zinc/21/83/42/570218342.db2.gz DUBXCYUMCWFEIA-DEOSSOPVSA-N 1 0 390.552 5.434 50 0 GKAARO CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)C[NH2+]Cc1ccccc1 ZINC000216003023 570231060 /nfs/dbraw/zinc/23/10/60/570231060.db2.gz CBLMOOKPRRHEJH-PFBJBMPXSA-N 1 0 375.600 6.610 50 0 GKAARO Cc1cc(Nc2ccc(I)cc2F)c2ccccc2[nH+]1 ZINC000001040377 570237186 /nfs/dbraw/zinc/23/71/86/570237186.db2.gz METZVTBAFAXXOU-UHFFFAOYSA-N 1 0 378.188 5.031 50 0 GKAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c(F)c1 ZINC000020138497 570242350 /nfs/dbraw/zinc/24/23/50/570242350.db2.gz RTJTTWQXCDMBIS-ZDUSSCGKSA-N 1 0 389.396 5.013 50 0 GKAARO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000048363744 570245167 /nfs/dbraw/zinc/24/51/67/570245167.db2.gz STWUAHKFDMGMLT-JOCHJYFZSA-N 1 0 384.951 5.005 50 0 GKAARO CCOc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020175687 570246005 /nfs/dbraw/zinc/24/60/05/570246005.db2.gz DLVYRCLRMKPFKD-UHFFFAOYSA-N 1 0 387.951 6.048 50 0 GKAARO Clc1ccc(-c2csc3ncnc(N4CC[NH+](C5CCCC5)CC4)c23)cc1 ZINC000001155973 570249852 /nfs/dbraw/zinc/24/98/52/570249852.db2.gz MRZFQALXKGLFST-UHFFFAOYSA-N 1 0 398.963 5.076 50 0 GKAARO CC[C@]1(C)C[C@H]([C@H](CC[NH2+]Cc2ccc(F)cc2)c2ccc(C)cc2)CCO1 ZINC000101187281 570255867 /nfs/dbraw/zinc/25/58/67/570255867.db2.gz CWHCPPKINMQAJH-QLBJFCOMSA-N 1 0 383.551 5.993 50 0 GKAARO CC/C(=C(/c1ccc(O)cc1)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000001530090 570264624 /nfs/dbraw/zinc/26/46/24/570264624.db2.gz TXUZVZSFRXZGTL-OCEACIFDSA-N 1 0 387.523 5.702 50 0 investigational GKAARO CC(C)(C)C[NH+]1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000020598981 570269522 /nfs/dbraw/zinc/26/95/22/570269522.db2.gz WHGRAPOZMDBPJP-UHFFFAOYSA-N 1 0 391.515 5.191 50 0 GKAARO CCOc1ccc(C2=C(C[NH+](C)C)[C@H](c3ccc(C)cc3)c3ccccc3O2)cc1 ZINC000002060250 570272923 /nfs/dbraw/zinc/27/29/23/570272923.db2.gz WDELZKCCPVJIQH-AREMUKBSSA-N 1 0 399.534 5.891 50 0 GKAARO C[NH+](C)Cc1ccccc1S[C@H]1c2ccccc2CSc2ccccc21 ZINC000002193152 570278435 /nfs/dbraw/zinc/27/84/35/570278435.db2.gz HOPWSGWZUAXAKD-QHCPKHFHSA-N 1 0 377.578 6.236 50 0 GKAARO Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)c3cc(C)ccc3[nH]2)cc1 ZINC000015862318 570278864 /nfs/dbraw/zinc/27/88/64/570278864.db2.gz GEWDDKYAKRCZMS-UHFFFAOYSA-N 1 0 382.507 5.347 50 0 GKAARO CCOc1ccc(C(=O)Nc2cccc(CCc3nc4cc(C)ccc4[nH]3)c2)cc1 ZINC000015863595 570279484 /nfs/dbraw/zinc/27/94/84/570279484.db2.gz VSEVIIKZNVAZMN-UHFFFAOYSA-N 1 0 399.494 5.308 50 0 GKAARO CC[C@@H](C(=O)Nc1cccc(CCc2nc3cc(C)ccc3[nH]2)c1)c1ccccc1 ZINC000015863586 570279551 /nfs/dbraw/zinc/27/95/51/570279551.db2.gz ORTGDPCOKPNCMO-JOCHJYFZSA-N 1 0 397.522 5.789 50 0 GKAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000026121500 570281814 /nfs/dbraw/zinc/28/18/14/570281814.db2.gz CYWORAGXYNDGMO-UHFFFAOYSA-N 1 0 396.579 5.197 50 0 GKAARO Fc1ccccc1C[NH2+]CC[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000002302529 570281939 /nfs/dbraw/zinc/28/19/39/570281939.db2.gz ONZSYNDJBXBYAM-FQEVSTJZSA-N 1 0 377.459 5.061 50 0 GKAARO CCc1ccc(-[n+]2c(-c3ccc(OC(F)F)cc3)cn3c2CCCCC3)cc1 ZINC000002387579 570285321 /nfs/dbraw/zinc/28/53/21/570285321.db2.gz ZDZHMTUMRCTUKU-UHFFFAOYSA-N 1 0 383.462 5.322 50 0 GKAARO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 ZINC000012909012 570291042 /nfs/dbraw/zinc/29/10/42/570291042.db2.gz AKNUJTIPZINJRA-CHWSQXEVSA-N 1 0 391.298 5.268 50 0 GKAARO CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1 ZINC000002584042 570291553 /nfs/dbraw/zinc/29/15/53/570291553.db2.gz VEUHZFXQNDHKGQ-UHFFFAOYSA-N 1 0 389.607 7.248 50 0 GKAARO c1csc([C@@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)c2c[nH]c3ccccc32)c1 ZINC000021841243 570297581 /nfs/dbraw/zinc/29/75/81/570297581.db2.gz SLRIDANPKXPUFV-QFIPXVFZSA-N 1 0 398.535 5.337 50 0 GKAARO CC(C)C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034682575 570300253 /nfs/dbraw/zinc/30/02/53/570300253.db2.gz HUDISLSIMDDTAY-UHFFFAOYSA-N 1 0 388.914 5.133 50 0 GKAARO O=C(c1ccc(F)cc1)N(c1ccccc1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000034682465 570300326 /nfs/dbraw/zinc/30/03/26/570300326.db2.gz XNVDOMLIWKBGSA-UHFFFAOYSA-N 1 0 394.515 5.199 50 0 GKAARO Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000034682947 570300649 /nfs/dbraw/zinc/30/06/49/570300649.db2.gz ZDWJTPVDUMUOPV-UHFFFAOYSA-N 1 0 378.560 5.461 50 0 GKAARO CCC(=O)N(c1cccc(OC)c1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034683190 570300936 /nfs/dbraw/zinc/30/09/36/570300936.db2.gz QDWMCALULPLNQX-UHFFFAOYSA-N 1 0 394.559 5.226 50 0 GKAARO CCC(=O)N(c1ccc(CC)cc1)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000034683398 570301088 /nfs/dbraw/zinc/30/10/88/570301088.db2.gz NMZSPBUTVLDZDG-UHFFFAOYSA-N 1 0 378.560 5.273 50 0 GKAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000022073919 570304965 /nfs/dbraw/zinc/30/49/65/570304965.db2.gz HWTJRVYZWJMZOE-UHFFFAOYSA-N 1 0 399.937 5.972 50 0 GKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)o1 ZINC000002928675 570318411 /nfs/dbraw/zinc/31/84/11/570318411.db2.gz YRWJTBVNRYFAAG-HXOBKFHXSA-N 1 0 381.947 6.677 50 0 GKAARO COc1ccc(OC)c(-c2cccc(-c3nc(C[N@H+](C)CC(C)C)cs3)c2)c1 ZINC000023332036 570319583 /nfs/dbraw/zinc/31/95/83/570319583.db2.gz MAOAPMWKIXAZPW-UHFFFAOYSA-N 1 0 396.556 5.582 50 0 GKAARO CC(C)CC[NH+](CCC(C)C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000003128831 570329720 /nfs/dbraw/zinc/32/97/20/570329720.db2.gz LFZVMDKWSHNFBN-OAQYLSRUSA-N 1 0 380.576 5.550 50 0 GKAARO Cc1sc2ccc(NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2[n+]1C ZINC000003129743 570329973 /nfs/dbraw/zinc/32/99/73/570329973.db2.gz IOGSAMHAEBFDOF-UHFFFAOYSA-O 1 0 395.592 5.882 50 0 GKAARO Cc1cccc(C[N@@H+](Cc2cccn2Cc2ccc(F)cc2)[C@H](C)C(C)C)c1 ZINC000035843768 570342986 /nfs/dbraw/zinc/34/29/86/570342986.db2.gz GWQDIRRHYTXTGN-OAQYLSRUSA-N 1 0 378.535 6.031 50 0 GKAARO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035362413 570344723 /nfs/dbraw/zinc/34/47/23/570344723.db2.gz ZRMOYBFYPALLGV-WBVHZDCISA-N 1 0 390.512 5.287 50 0 GKAARO OC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C1 ZINC000004851661 570347177 /nfs/dbraw/zinc/34/71/77/570347177.db2.gz XSLGPTMCZRXAJH-DFCKQENNSA-N 1 0 383.535 5.191 50 0 GKAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023280470 570353885 /nfs/dbraw/zinc/35/38/85/570353885.db2.gz IQBOMOWUKJLGPO-HNNXBMFYSA-N 1 0 382.857 5.112 50 0 GKAARO Cc1oc(-c2cccc3ccccc32)nc1CN(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000023339397 570355195 /nfs/dbraw/zinc/35/51/95/570355195.db2.gz LLUOKERBCRBDFQ-UHFFFAOYSA-N 1 0 391.559 5.544 50 0 GKAARO Cc1ccc2c(c1)SCc1ccccc1[C@@]2(c1ccccc1)[NH+]1CCCCC1 ZINC000004128479 570358973 /nfs/dbraw/zinc/35/89/73/570358973.db2.gz VNUSJYFIDQNRBS-AREMUKBSSA-N 1 0 385.576 6.379 50 0 GKAARO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1cccs1 ZINC000004168205 570360887 /nfs/dbraw/zinc/36/08/87/570360887.db2.gz QGJYVFKRKHGRFZ-UHFFFAOYSA-N 1 0 388.920 5.064 50 0 GKAARO Clc1cccc(N2CCN(c3c4c([nH+]c5ccc(Cl)cc53)CCC4)CC2)c1 ZINC000004924171 570370613 /nfs/dbraw/zinc/37/06/13/570370613.db2.gz SAHXDRUUMMZJHU-UHFFFAOYSA-N 1 0 398.337 5.357 50 0 GKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)cc2)(c2ccccc2OC)CCO1 ZINC000004951099 570380882 /nfs/dbraw/zinc/38/08/82/570380882.db2.gz ILQHKCVUXDKCEO-DQEYMECFSA-N 1 0 397.559 5.101 50 0 GKAARO CCCOc1ccccc1NC(=O)O[C@@H]1CCCCC[C@H]1C[NH+]1CCCCC1 ZINC000004566652 570384991 /nfs/dbraw/zinc/38/49/91/570384991.db2.gz RSJGVQZYRUTBQS-PZJWPPBQSA-N 1 0 388.552 5.459 50 0 GKAARO CCC[C@@H]1[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(C)O ZINC000004652796 570389807 /nfs/dbraw/zinc/38/98/07/570389807.db2.gz LIBIPIXHWFBTLG-DQIAKDEWSA-N 1 0 392.370 6.182 50 0 GKAARO CCC(CC)c1cc[n+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000025203779 570408267 /nfs/dbraw/zinc/40/82/67/570408267.db2.gz IFWFHABATNFAJP-UHFFFAOYSA-N 1 0 391.482 6.068 50 0 GKAARO CCCCCCSc1ccc([C@@H](SCC[NH+](C)C)c2ccccc2)cc1 ZINC000033641201 570411148 /nfs/dbraw/zinc/41/11/48/570411148.db2.gz PJNBLGOVCNGKJM-QHCPKHFHSA-N 1 0 387.658 6.743 50 0 GKAARO CC(C)[N@H+](CCCNC(=O)c1csc2c1CCCCC2)Cc1ccccc1 ZINC000005070478 570411166 /nfs/dbraw/zinc/41/11/66/570411166.db2.gz BIQATGLYDPNZQJ-UHFFFAOYSA-N 1 0 384.589 5.048 50 0 GKAARO CC[C@H](C)[N@H+](CCNC(=O)c1csc2c1CCCCC2)C1CCCCC1 ZINC000005070489 570411214 /nfs/dbraw/zinc/41/12/14/570411214.db2.gz SVYDKBJCWDTFCQ-KRWDZBQOSA-N 1 0 376.610 5.180 50 0 GKAARO CCCC[N@H+](CCCNC(=O)c1csc2c1CC[C@H](C)C2)Cc1ccccc1 ZINC000005070274 570411323 /nfs/dbraw/zinc/41/13/23/570411323.db2.gz CPPNONULSSGUSW-IBGZPJMESA-N 1 0 398.616 5.295 50 0 GKAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(Cl)ccc2F)cc1 ZINC000013002836 570414300 /nfs/dbraw/zinc/41/43/00/570414300.db2.gz HEKDAOOFNBNFSL-UHFFFAOYSA-N 1 0 396.893 5.138 50 0 GKAARO CCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccccc1Cl ZINC000004998075 570422675 /nfs/dbraw/zinc/42/26/75/570422675.db2.gz LQWFSKFMLXVYRI-UHFFFAOYSA-N 1 0 382.891 5.003 50 0 GKAARO CCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccc(Cl)cc1 ZINC000004998074 570422763 /nfs/dbraw/zinc/42/27/63/570422763.db2.gz GUMKEWPOOSNGTJ-UHFFFAOYSA-N 1 0 382.891 5.003 50 0 GKAARO CCCCOc1ccc([C@@H](O)[C@@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000001781639 570423640 /nfs/dbraw/zinc/42/36/40/570423640.db2.gz HHWZRJJAOKEIDL-LOSJGSFVSA-N 1 0 381.560 5.559 50 0 GKAARO Clc1ccccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000005135748 570424418 /nfs/dbraw/zinc/42/44/18/570424418.db2.gz KCZJLDIWYMKXEB-UHFFFAOYSA-N 1 0 379.916 5.544 50 0 GKAARO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+]([C@@H]1CC[C@H](C)C1)CC2 ZINC000005033065 570425229 /nfs/dbraw/zinc/42/52/29/570425229.db2.gz ISLQETMKIRTGFE-YWBKXGLFSA-N 1 0 385.935 5.493 50 0 GKAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006455194 570426047 /nfs/dbraw/zinc/42/60/47/570426047.db2.gz LZQFQOVIWCMKSK-UDABTGFVSA-N 1 0 397.603 5.157 50 0 GKAARO Cc1ccc([C@@H](c2ccccc2C)[NH+]2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000072265277 570429631 /nfs/dbraw/zinc/42/96/31/570429631.db2.gz RRGYRDBVCMHVKI-VWLOTQADSA-N 1 0 399.538 5.243 50 0 GKAARO O=C(Nc1ccccc1)C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000027367556 570433863 /nfs/dbraw/zinc/43/38/63/570433863.db2.gz LLUFPLKZMBVSAB-UHFFFAOYSA-N 1 0 384.932 5.405 50 0 GKAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027581926 570436500 /nfs/dbraw/zinc/43/65/00/570436500.db2.gz YLJQUFHDBFLBAC-NRFANRHFSA-N 1 0 394.490 5.146 50 0 GKAARO CC1(C)CC(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc32)CC(C)(C)[NH2+]1 ZINC000001916711 570448371 /nfs/dbraw/zinc/44/83/71/570448371.db2.gz KMGDKZROVQMFQA-LHLOQNFPSA-N 1 0 394.946 5.963 50 0 GKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027991518 570448372 /nfs/dbraw/zinc/44/83/72/570448372.db2.gz IHUSXAJDVDDRQD-FQEVSTJZSA-N 1 0 396.918 5.270 50 0 GKAARO Cc1c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)oc2cc(C)cc(C)c12 ZINC000028287348 570454086 /nfs/dbraw/zinc/45/40/86/570454086.db2.gz XAHCIALNIHNSBV-NRFANRHFSA-N 1 0 390.527 5.233 50 0 GKAARO Cc1c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)oc2cc(C)cc(C)c12 ZINC000028287345 570454206 /nfs/dbraw/zinc/45/42/06/570454206.db2.gz XAHCIALNIHNSBV-OAQYLSRUSA-N 1 0 390.527 5.233 50 0 GKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000028287842 570454672 /nfs/dbraw/zinc/45/46/72/570454672.db2.gz WGIZCNSDUJYBGO-LJQANCHMSA-N 1 0 396.556 5.458 50 0 GKAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028290782 570455992 /nfs/dbraw/zinc/45/59/92/570455992.db2.gz HYABQRKGFPWEHP-FQEVSTJZSA-N 1 0 396.506 5.211 50 0 GKAARO C[C@@H]1[C@H]2CC[C@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000008220551 570456133 /nfs/dbraw/zinc/45/61/33/570456133.db2.gz JVKYZPBMZPJNAJ-OQFNDJACSA-N 1 0 397.647 5.655 50 0 endogenous,in-man GKAARO Cc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000028293063 570457194 /nfs/dbraw/zinc/45/71/94/570457194.db2.gz WTZNQZXMIXOVGQ-HSZRJFAPSA-N 1 0 378.560 5.250 50 0 GKAARO Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000028293715 570457620 /nfs/dbraw/zinc/45/76/20/570457620.db2.gz SIRRWOONUJGKKE-IBGZPJMESA-N 1 0 396.556 5.377 50 0 GKAARO Cc1ccccc1C[N@@H+](Cc1cccn1Cc1ccccc1F)[C@H](C)C(C)C ZINC000035841055 570463248 /nfs/dbraw/zinc/46/32/48/570463248.db2.gz GTWQTGOGLLQFDG-OAQYLSRUSA-N 1 0 378.535 6.031 50 0 GKAARO Cc1ccccc1Cn1cccc1C[N@@H+](CCC(C)C)Cc1cccc(F)c1 ZINC000035841108 570463933 /nfs/dbraw/zinc/46/39/33/570463933.db2.gz MSGQARDNJNDNCF-UHFFFAOYSA-N 1 0 378.535 6.032 50 0 GKAARO CC(C)CC[N@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1F ZINC000035841245 570463957 /nfs/dbraw/zinc/46/39/57/570463957.db2.gz YMMZYBIWWVYYOK-UHFFFAOYSA-N 1 0 382.498 5.863 50 0 GKAARO O=C(Nc1nc(-c2ccccc2)c(C[NH+]2CCCCC2)s1)c1ccccc1 ZINC000003672140 570464791 /nfs/dbraw/zinc/46/47/91/570464791.db2.gz SGAOGSALQVPIBO-UHFFFAOYSA-N 1 0 377.513 5.048 50 0 GKAARO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1F ZINC000005163795 570468753 /nfs/dbraw/zinc/46/87/53/570468753.db2.gz IFBKQBARPJGXJC-ZTCOLXNVSA-N 1 0 383.507 5.093 50 0 GKAARO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000006554679 570475648 /nfs/dbraw/zinc/47/56/48/570475648.db2.gz YHYQZSVKBBWONV-QHQYTOEFSA-N 1 0 391.555 5.467 50 0 biogenic GKAARO COc1cc(C)c(C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1OC ZINC000006553602 570476540 /nfs/dbraw/zinc/47/65/40/570476540.db2.gz RFXVFCCYKKRPLI-UHFFFAOYSA-N 1 0 382.529 5.002 50 0 GKAARO CC(C)(C)c1ncc(C[NH2+]C[C@@](C)(O)C(c2ccccc2)c2ccccc2)s1 ZINC000072289920 570482920 /nfs/dbraw/zinc/48/29/20/570482920.db2.gz AVSSRUPUTHGFGG-XMMPIXPASA-N 1 0 394.584 5.113 50 0 GKAARO C[NH+](C)Cc1cccc([C@H](O)[C@@H]2c3ccccc3CSc3ccccc32)c1 ZINC000006637806 570485760 /nfs/dbraw/zinc/48/57/60/570485760.db2.gz SPLBTLHSWXXNDH-RPWUZVMVSA-N 1 0 375.537 5.219 50 0 GKAARO Clc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2cccnc2)o1 ZINC000006716003 570489831 /nfs/dbraw/zinc/48/98/31/570489831.db2.gz XREVQHPNAANSNJ-UHFFFAOYSA-N 1 0 377.669 5.047 50 0 GKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000006832744 570496304 /nfs/dbraw/zinc/49/63/04/570496304.db2.gz KSJPEQZRNDGLIS-NRFANRHFSA-N 1 0 395.934 5.084 50 0 GKAARO CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000006882532 570498272 /nfs/dbraw/zinc/49/82/72/570498272.db2.gz PMMVOGZRBPPDRU-UHFFFAOYSA-N 1 0 382.729 5.570 50 0 GKAARO CC[NH+](CC)[C@H](C)CCCNP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000006891387 570498743 /nfs/dbraw/zinc/49/87/43/570498743.db2.gz KDGBSOXNRBWLFN-LJQANCHMSA-N 1 0 390.464 5.353 50 0 GKAARO CC(C)(C)c1cc([C@@H](c2cccs2)[NH+]2CCCCC2)cc(C(C)(C)C)c1O ZINC000002667833 570504668 /nfs/dbraw/zinc/50/46/68/570504668.db2.gz KKRCTRJEUCMAHD-NRFANRHFSA-N 1 0 385.617 6.624 50 0 GKAARO S=C(Nc1ccc(Oc2ccccc2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000007449174 570505240 /nfs/dbraw/zinc/50/52/40/570505240.db2.gz VATFHNMFQFFSIG-UHFFFAOYSA-N 1 0 395.572 5.126 50 0 GKAARO CC(C)CC[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000005205098 570507349 /nfs/dbraw/zinc/50/73/49/570507349.db2.gz PGUXKYVXWOCCMQ-CEWLAPEOSA-N 1 0 380.016 6.638 50 0 GKAARO Cc1cc([C@@H](c2ccccc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545860 570509068 /nfs/dbraw/zinc/50/90/68/570509068.db2.gz BHZVJVWPPHWANJ-HXUWFJFHSA-N 1 0 380.513 5.477 50 0 GKAARO C[N@@H+]1CCC[C@@H](COC(=O)c2cccs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822789 570509762 /nfs/dbraw/zinc/50/97/62/570509762.db2.gz DCXDMCARLIRQIN-YOEHRIQHSA-N 1 0 383.435 5.007 50 0 GKAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2sccc2C)c(OC)c1OC ZINC000033087130 570519606 /nfs/dbraw/zinc/51/96/06/570519606.db2.gz LYJSPIKTVLJFDM-QGZVFWFLSA-N 1 0 375.534 5.200 50 0 GKAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)s2)c(OC)c1OC ZINC000033087132 570519711 /nfs/dbraw/zinc/51/97/11/570519711.db2.gz BLAFDTIQJUWGBS-QGZVFWFLSA-N 1 0 375.534 5.200 50 0 GKAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@H]1c1sccc1C ZINC000033087177 570519725 /nfs/dbraw/zinc/51/97/25/570519725.db2.gz SQHMYRUIBKJHEV-KRWDZBQOSA-N 1 0 375.534 5.200 50 0 GKAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1OC ZINC000033087079 570519833 /nfs/dbraw/zinc/51/98/33/570519833.db2.gz NANSURGIDQRDOQ-SFHVURJKSA-N 1 0 397.544 5.273 50 0 GKAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)s2)cc(OC)c1OC ZINC000033087281 570519908 /nfs/dbraw/zinc/51/99/08/570519908.db2.gz ALOIAWSCXZGKSN-KRWDZBQOSA-N 1 0 375.534 5.200 50 0 GKAARO COc1ccc(OC)c(-c2n[nH]cc2C[N@@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087088 570519940 /nfs/dbraw/zinc/51/99/40/570519940.db2.gz JINHFIWIPRSXSW-LJQANCHMSA-N 1 0 397.544 5.273 50 0 GKAARO CC1(C)C[C@@H]([C@@H](CC[NH2+]Cc2ccccn2)Cc2ccccc2Cl)CCO1 ZINC000006672232 570529201 /nfs/dbraw/zinc/52/92/01/570529201.db2.gz ARWBNFIEFGHIQY-ICSRJNTNSA-N 1 0 386.967 5.279 50 0 GKAARO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000008474400 570532469 /nfs/dbraw/zinc/53/24/69/570532469.db2.gz HGGNLMWDJBMAOF-UHFFFAOYSA-N 1 0 381.903 5.260 50 0 GKAARO C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000036094357 570533911 /nfs/dbraw/zinc/53/39/11/570533911.db2.gz BCZVUJXTCZOTIK-AKWSJDBWSA-N 1 0 390.571 5.577 50 0 GKAARO COc1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)ccc1OCc1ccccc1 ZINC000001193397 570535324 /nfs/dbraw/zinc/53/53/24/570535324.db2.gz RPBNMMZXDHWKHD-QHCPKHFHSA-N 1 0 388.511 5.396 50 0 GKAARO O[C@H](c1ccc(Br)cc1)[C@@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000023550006 570541902 /nfs/dbraw/zinc/54/19/02/570541902.db2.gz QBTHZBCVENWEHX-LEWJYISDSA-N 1 0 388.349 5.142 50 0 GKAARO O[C@H](c1ccc(Br)cc1)[C@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000023550008 570541970 /nfs/dbraw/zinc/54/19/70/570541970.db2.gz QBTHZBCVENWEHX-NHCUHLMSSA-N 1 0 388.349 5.142 50 0 GKAARO Clc1ccc(OCCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC000006719408 570547963 /nfs/dbraw/zinc/54/79/63/570547963.db2.gz CTLQOGDOXJLDLY-LJQANCHMSA-N 1 0 379.331 5.775 50 0 GKAARO CC(C)c1cccc(C(C)C)c1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000034929648 570548109 /nfs/dbraw/zinc/54/81/09/570548109.db2.gz JHFZIUAARZHIIT-UHFFFAOYSA-N 1 0 381.564 5.529 50 0 GKAARO Clc1cccc(Cl)c1OCCCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000006719396 570548132 /nfs/dbraw/zinc/54/81/32/570548132.db2.gz MDGWRMQXFLWYIR-IBGZPJMESA-N 1 0 379.331 5.775 50 0 biogenic GKAARO Clc1ccc(OCCCC[N@@H+]2CCCC[C@H]2c2cccnc2)c2ccccc12 ZINC000006719418 570548181 /nfs/dbraw/zinc/54/81/81/570548181.db2.gz NWFJBZAKQAMEAA-QHCPKHFHSA-N 1 0 394.946 6.274 50 0 biogenic GKAARO C[NH+](C)[C@@H](CNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1cccs1 ZINC000032970918 570555405 /nfs/dbraw/zinc/55/54/05/570555405.db2.gz JASVISNSBPMERP-PZJWPPBQSA-N 1 0 396.581 5.001 50 0 GKAARO COc1ccc([C@@](O)([C@@H](C[NH+]2CCCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000006743816 570563708 /nfs/dbraw/zinc/56/37/08/570563708.db2.gz LBSIRYRCMMQUAB-IZZNHLLZSA-N 1 0 393.571 5.343 50 0 GKAARO COc1ccc([C@@](O)(CCC(C)C)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744329 570564008 /nfs/dbraw/zinc/56/40/08/570564008.db2.gz LQTRUZIZCSVCCE-FTJBHMTQSA-N 1 0 395.587 5.589 50 0 GKAARO CCCCC[C@@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744291 570564013 /nfs/dbraw/zinc/56/40/13/570564013.db2.gz SVRFXBVYYZARBQ-CLJLJLNGSA-N 1 0 395.587 5.733 50 0 GKAARO CC(C)=CC(O)(C=C(C)C)c1ccc(C[N@H+](Cc2ccc(C)cc2)C(C)C)o1 ZINC000036202796 570568166 /nfs/dbraw/zinc/56/81/66/570568166.db2.gz FKJSDPNWXHBVED-UHFFFAOYSA-N 1 0 381.560 6.119 50 0 GKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3ccc(F)cc3)CCC[C@]21C ZINC000006754585 570570922 /nfs/dbraw/zinc/57/09/22/570570922.db2.gz LCFXIWMDHGFFFS-KWXIBIRDSA-N 1 0 393.590 6.749 50 0 GKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3ccc(F)cc3)CCC[C@@]21C ZINC000006754587 570570956 /nfs/dbraw/zinc/57/09/56/570570956.db2.gz LCFXIWMDHGFFFS-PVHODMMVSA-N 1 0 393.590 6.749 50 0 GKAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000011662564 570577402 /nfs/dbraw/zinc/57/74/02/570577402.db2.gz YMIVNLFHTRDMSO-JOCHJYFZSA-N 1 0 375.516 5.341 50 0 GKAARO CSc1ccc(C[NH+]2CCC(c3n[nH]cc3Cc3ccccc3)CC2)cc1 ZINC000011784592 570582485 /nfs/dbraw/zinc/58/24/85/570582485.db2.gz RJHGIRMQXLHSIC-UHFFFAOYSA-N 1 0 377.557 5.102 50 0 GKAARO Cc1c([C@@H](C)[NH2+]Cc2cc3ccccc3[nH]2)cnn1-c1cccc2ccccc21 ZINC000011818697 570585462 /nfs/dbraw/zinc/58/54/62/570585462.db2.gz DTTCOOARSDUCBZ-QGZVFWFLSA-N 1 0 380.495 5.666 50 0 GKAARO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](CCC(C)C)CC3)c2)c1 ZINC000011873180 570589513 /nfs/dbraw/zinc/58/95/13/570589513.db2.gz FHDWHDWTIAMRII-UHFFFAOYSA-N 1 0 380.532 5.059 50 0 GKAARO CCCCCCOc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000039408737 570590945 /nfs/dbraw/zinc/59/09/45/570590945.db2.gz FGSAFUBNHSXEAM-FTJBHMTQSA-N 1 0 398.635 5.875 50 0 GKAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000011911678 570592415 /nfs/dbraw/zinc/59/24/15/570592415.db2.gz CXLZTINPHLPYFT-WWPOYFSUSA-N 1 0 391.490 5.117 50 0 GKAARO c1ccc(Oc2cccc(CN3CC[N@@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)c2)cc1 ZINC000039769805 570594011 /nfs/dbraw/zinc/59/40/11/570594011.db2.gz ICFIGWARIJACRJ-FTJBHMTQSA-N 1 0 390.571 5.708 50 0 GKAARO CCCC[NH+](CCCC)CCCNc1ncnc2c3cc(OCC)ccc3[nH]c21 ZINC000005443534 570594866 /nfs/dbraw/zinc/59/48/66/570594866.db2.gz FAZRDHNEYXDAQJ-UHFFFAOYSA-N 1 0 397.567 5.214 50 0 GKAARO CCn1c2ccccc2c2cc(NC(=O)C[NH2+][C@H]3CCCc4ccccc43)ccc21 ZINC000003288679 570601932 /nfs/dbraw/zinc/60/19/32/570601932.db2.gz SMGCMMDEJAVPAE-QHCPKHFHSA-N 1 0 397.522 5.420 50 0 GKAARO Clc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c(Cl)c1 ZINC000005460693 570603817 /nfs/dbraw/zinc/60/38/17/570603817.db2.gz LGGACSMJQBHJJC-CTNGQTDRSA-N 1 0 394.305 6.489 50 0 GKAARO COc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1OC ZINC000005460625 570603861 /nfs/dbraw/zinc/60/38/61/570603861.db2.gz PLQFJQJXWJVEDR-CTNGQTDRSA-N 1 0 385.467 5.200 50 0 GKAARO C[C@@H]([NH2+]CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)c1cccs1 ZINC000005478114 570608102 /nfs/dbraw/zinc/60/81/02/570608102.db2.gz QVQRRMIYBOJUJA-VGOFRKELSA-N 1 0 392.008 6.260 50 0 GKAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccc2c(c1)OCO2)c1ccc(OC(C)C)cc1 ZINC000005478346 570608127 /nfs/dbraw/zinc/60/81/27/570608127.db2.gz UWXGZGFEIKOGOX-QFIPXVFZSA-N 1 0 397.559 5.902 50 0 GKAARO C[C@@H]([NH2+]CC[C@@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)c1cccs1 ZINC000005478116 570608196 /nfs/dbraw/zinc/60/81/96/570608196.db2.gz QVQRRMIYBOJUJA-VGSWGCGISA-N 1 0 392.008 6.260 50 0 GKAARO COc1ccc([C@@H](CC[NH2+]Cc2ccc(OC)c(OC)c2)CCC(C)C)cc1 ZINC000005478740 570609173 /nfs/dbraw/zinc/60/91/73/570609173.db2.gz MTCSBQUPURGFIT-OAQYLSRUSA-N 1 0 385.548 5.412 50 0 GKAARO CCOc1ccc([C@@](O)(CCC(C)C)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811662 570616105 /nfs/dbraw/zinc/61/61/05/570616105.db2.gz UJKXDJIVYXPRGO-UIOOFZCWSA-N 1 0 395.587 5.589 50 0 GKAARO CC(C)(c1ccccc1)c1ccc(OC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774875 570622638 /nfs/dbraw/zinc/62/26/38/570622638.db2.gz TZHGLZPBELTASV-INIZCTEOSA-N 1 0 388.349 5.153 50 0 GKAARO CCC(CC)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 ZINC000012195719 570623287 /nfs/dbraw/zinc/62/32/87/570623287.db2.gz PIQBFBODJKOJST-LJQANCHMSA-N 1 0 380.532 5.201 50 0 GKAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000043083295 570625703 /nfs/dbraw/zinc/62/57/03/570625703.db2.gz FMSKBXOZPSNOHZ-GOSISDBHSA-N 1 0 381.907 5.118 50 0 GKAARO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000036348019 570630899 /nfs/dbraw/zinc/63/08/99/570630899.db2.gz NHVWSCYTHXKTHZ-SANMLTNESA-N 1 0 388.555 6.006 50 0 GKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c(OC)c1 ZINC000036348129 570630917 /nfs/dbraw/zinc/63/09/17/570630917.db2.gz CIKUZHALCDIHGG-RUZDIDTESA-N 1 0 390.527 5.117 50 0 GKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C)cc2C)cc1OC ZINC000036348468 570631401 /nfs/dbraw/zinc/63/14/01/570631401.db2.gz SGVQCTVVIAOQPX-RUZDIDTESA-N 1 0 390.527 5.117 50 0 GKAARO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000012298615 570634948 /nfs/dbraw/zinc/63/49/48/570634948.db2.gz CIBGXFGQENQASQ-XMMPIXPASA-N 1 0 380.495 5.476 50 0 GKAARO O=C(CCC1CC[NH+](Cc2cc3ccccc3o2)CC1)Nc1ccccc1Cl ZINC000012303356 570637676 /nfs/dbraw/zinc/63/76/76/570637676.db2.gz OQPDCZPARKBACC-UHFFFAOYSA-N 1 0 396.918 5.717 50 0 GKAARO Cc1ccccc1C(c1ccccc1C)[N@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccccc1)C2 ZINC000169740434 570642650 /nfs/dbraw/zinc/64/26/50/570642650.db2.gz LOSJNRBXNQTUNT-FOURXJPJSA-N 1 0 397.562 5.907 50 0 GKAARO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000229850707 570666798 /nfs/dbraw/zinc/66/67/98/570666798.db2.gz NTQGEZJOMVFLMK-DUPGQGGVSA-N 1 0 375.487 5.468 50 0 GKAARO CCC[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H](C)[C@@]1(C)O ZINC000229937872 570667798 /nfs/dbraw/zinc/66/77/98/570667798.db2.gz LIBIPIXHWFBTLG-IOWAXREISA-N 1 0 392.370 6.182 50 0 GKAARO CN1C(=CC=Cc2cc(C(C)(C)C)cc(C(C)(C)C)[s+]2)Sc2ccccc21 ZINC000685944232 570675231 /nfs/dbraw/zinc/67/52/31/570675231.db2.gz FKDYNXOFQIJWFX-HIMLSBAZSA-N 1 0 396.645 7.272 50 0 GKAARO O=C(CC[NH+]1CCCCC1)O[C@H]1CCCC[C@@H]1SCc1ccc(Cl)cc1 ZINC000005634256 570676871 /nfs/dbraw/zinc/67/68/71/570676871.db2.gz VAVXGZXHFVMMQV-PMACEKPBSA-N 1 0 395.996 5.304 50 0 GKAARO CCC(C)(C)c1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2)c(C(C)(C)CC)c1 ZINC000005645374 570679270 /nfs/dbraw/zinc/67/92/70/570679270.db2.gz ZSDQEHNBICRVES-JOCHJYFZSA-N 1 0 397.603 5.591 50 0 GKAARO CCCCCOc1ccc(C(=O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004349357 570680955 /nfs/dbraw/zinc/68/09/55/570680955.db2.gz UYYFNPNLNGPCIY-DEOSSOPVSA-N 1 0 379.544 5.708 50 0 GKAARO O=C(C[NH2+]Cc1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000055111482 570683554 /nfs/dbraw/zinc/68/35/54/570683554.db2.gz SYFJSJZFNCQBDL-UHFFFAOYSA-N 1 0 380.900 5.259 50 0 biogenic GKAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1cccc(C(F)(F)F)c1 ZINC000008863034 570683663 /nfs/dbraw/zinc/68/36/63/570683663.db2.gz ZNKBFAOYUZWGNL-GOSISDBHSA-N 1 0 396.478 5.114 50 0 GKAARO Fc1cccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000055132470 570684064 /nfs/dbraw/zinc/68/40/64/570684064.db2.gz IMANVXMNEMAXJQ-QHCPKHFHSA-N 1 0 395.566 5.268 50 0 GKAARO OCC1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000012583168 570684349 /nfs/dbraw/zinc/68/43/49/570684349.db2.gz USSNMLXXCRDXGD-UHFFFAOYSA-N 1 0 397.868 5.176 50 0 GKAARO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)cc1 ZINC000015953517 570685112 /nfs/dbraw/zinc/68/51/12/570685112.db2.gz ZQETVXUYNZWBDD-BQNRCHOBSA-N 1 0 377.528 5.077 50 0 biogenic GKAARO COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000015953822 570685348 /nfs/dbraw/zinc/68/53/48/570685348.db2.gz CSALCCKLWJOGTI-SDSRIUJSSA-N 1 0 377.528 5.077 50 0 biogenic GKAARO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)cc1 ZINC000015953515 570685369 /nfs/dbraw/zinc/68/53/69/570685369.db2.gz ZQETVXUYNZWBDD-YXEVQKQUSA-N 1 0 377.528 5.077 50 0 biogenic GKAARO Fc1cccc(F)c1CN(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000055271423 570689870 /nfs/dbraw/zinc/68/98/70/570689870.db2.gz FJMIGRBAZMAJRS-UHFFFAOYSA-N 1 0 399.529 5.017 50 0 GKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(c4cccc(C)c4C)CC3)ccc21 ZINC000055543235 570696236 /nfs/dbraw/zinc/69/62/36/570696236.db2.gz SSEHMMVQOUIWKE-UHFFFAOYSA-N 1 0 397.566 5.753 50 0 GKAARO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012705157 570699857 /nfs/dbraw/zinc/69/98/57/570699857.db2.gz RACBDFLDLNZJBH-LJQANCHMSA-N 1 0 398.522 5.244 50 0 GKAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000017245147 570701945 /nfs/dbraw/zinc/70/19/45/570701945.db2.gz LZQFQOVIWCMKSK-MHGTVPHKSA-N 1 0 397.603 5.157 50 0 GKAARO CC(C)Oc1cccc(C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)c1 ZINC000058148657 570710995 /nfs/dbraw/zinc/71/09/95/570710995.db2.gz QHNQHGWZAQQCBQ-UHFFFAOYSA-N 1 0 377.513 5.140 50 0 GKAARO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006940541 570713865 /nfs/dbraw/zinc/71/38/65/570713865.db2.gz MYMZZYMNEYVILS-APPDUMDISA-N 1 0 397.733 5.641 50 0 GKAARO CSC1=N[C@H](c2ccc(F)cc2)C2=C(N1)C(=Cc1ccc(F)cc1)CCC2 ZINC000006378740 570718749 /nfs/dbraw/zinc/71/87/49/570718749.db2.gz XATRGJQMNWJSDQ-MQMQVCBVSA-N 1 0 382.479 5.850 50 0 GKAARO CC(C)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000004379267 570722931 /nfs/dbraw/zinc/72/29/31/570722931.db2.gz ZDHFFHQPEOAVCV-UHFFFAOYSA-N 1 0 386.461 5.612 50 0 GKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000000935746 570726987 /nfs/dbraw/zinc/72/69/87/570726987.db2.gz SCNUURDAUCZNEA-HXUWFJFHSA-N 1 0 380.513 5.395 50 0 GKAARO COc1ccc(C(=O)Nc2sc3c(c2C[NH+]2CCC(C)CC2)CCCC3)cc1 ZINC000000939382 570731400 /nfs/dbraw/zinc/73/14/00/570731400.db2.gz YGSHTUHSVIXWHN-UHFFFAOYSA-N 1 0 398.572 5.120 50 0 GKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)[NH+]2CCCCC2)c1C ZINC000000950062 570735995 /nfs/dbraw/zinc/73/59/95/570735995.db2.gz ICAJLZPIBIXQJA-HXUWFJFHSA-N 1 0 395.528 5.181 50 0 GKAARO C[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000013039155 570743304 /nfs/dbraw/zinc/74/33/04/570743304.db2.gz XLHQGNYHSBLDPS-IFXJQAMLSA-N 1 0 377.315 5.405 50 0 GKAARO COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1Cc1ccccc1Cl ZINC000013759361 570786108 /nfs/dbraw/zinc/78/61/08/570786108.db2.gz BUZOOTVRWDNERF-UEVCKROQSA-N 1 0 385.935 5.217 50 0 GKAARO Cc1c(Cl)cccc1NC(=S)N1CCC([N@@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000004668258 570814351 /nfs/dbraw/zinc/81/43/51/570814351.db2.gz YTRKDPGXSAKKPS-YWZLYKJASA-N 1 0 394.028 5.320 50 0 GKAARO CCOc1ccccc1CNc1[nH+]cc(-c2ccc(-c3ccccc3)cc2)n1C ZINC000004678525 570824587 /nfs/dbraw/zinc/82/45/87/570824587.db2.gz SWPJZUNDOMALKD-UHFFFAOYSA-N 1 0 383.495 5.765 50 0 GKAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(C(F)(F)F)cc3)n2C)cc1 ZINC000004678765 570824916 /nfs/dbraw/zinc/82/49/16/570824916.db2.gz GAISNZVHOOBHLA-UHFFFAOYSA-N 1 0 375.394 5.117 50 0 GKAARO Cc1ccc(-c2c[nH+]c(NCc3c(F)cccc3Br)n2C)cc1C ZINC000004678936 570825442 /nfs/dbraw/zinc/82/54/42/570825442.db2.gz HTGVPJXYKGHGEY-UHFFFAOYSA-N 1 0 388.284 5.218 50 0 GKAARO FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000065575502 570835697 /nfs/dbraw/zinc/83/56/97/570835697.db2.gz SRWAXOOQTOOUNU-INIZCTEOSA-N 1 0 390.405 5.149 50 0 GKAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000004700404 570844191 /nfs/dbraw/zinc/84/41/91/570844191.db2.gz WXJYTAWKNWKDSL-UHFFFAOYSA-N 1 0 378.560 5.036 50 0 GKAARO CC(C)n1c2ccccc2nc1[C@@H](C)[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000170591535 570849447 /nfs/dbraw/zinc/84/94/47/570849447.db2.gz NBAABOUCCWNHHT-GOSISDBHSA-N 1 0 394.538 5.072 50 0 GKAARO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000004715862 570856178 /nfs/dbraw/zinc/85/61/78/570856178.db2.gz ODEDXCONQRYZQL-KRWDZBQOSA-N 1 0 398.513 5.250 50 0 GKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc4ccccc4c2)N3)C1 ZINC000004554096 570880606 /nfs/dbraw/zinc/88/06/06/570880606.db2.gz WRANDMQMQYKIMO-FQEVSTJZSA-N 1 0 377.513 5.097 50 0 GKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc4ccccc42)N3)C1 ZINC000004554058 570880625 /nfs/dbraw/zinc/88/06/25/570880625.db2.gz PBWSVEWLPPFWDO-HXUWFJFHSA-N 1 0 377.513 5.097 50 0 GKAARO Cc1cc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c(C)n1C(C)C ZINC000032904223 570901852 /nfs/dbraw/zinc/90/18/52/570901852.db2.gz LLUWIXBNGGFCMW-UHFFFAOYSA-N 1 0 381.564 5.703 50 0 GKAARO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000004061918 570927595 /nfs/dbraw/zinc/92/75/95/570927595.db2.gz YHYQZSVKBBWONV-LQDGZISQSA-N 1 0 391.555 5.467 50 0 biogenic GKAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(CSCc2ccccc2)o1 ZINC000004062104 570927742 /nfs/dbraw/zinc/92/77/42/570927742.db2.gz HVPYTIIXNLQEJA-PZJWPPBQSA-N 1 0 399.556 5.134 50 0 biogenic GKAARO CC(C)Cc1ccc([C@@H](C)CNC(=[NH2+])[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000002075137 570932295 /nfs/dbraw/zinc/93/22/95/570932295.db2.gz YGJSQXJBKDORBO-SFTDATJTSA-N 1 0 378.604 6.558 50 0 biogenic GKAARO C[N@H+]1C/C(=C/c2ccccc2)C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000105972886 570934104 /nfs/dbraw/zinc/93/41/04/570934104.db2.gz GTJXVFHOQFLCHN-SGPUPTDZSA-N 1 0 379.507 5.249 50 0 GKAARO CC(C)c1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000017027581 570937664 /nfs/dbraw/zinc/93/76/64/570937664.db2.gz NCEPWVNWWIRDRO-UHFFFAOYSA-N 1 0 379.911 5.049 50 0 GKAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000012689277 570949287 /nfs/dbraw/zinc/94/92/87/570949287.db2.gz RSBGLBFYLXFBPB-INIZCTEOSA-N 1 0 390.449 5.182 50 0 GKAARO CC1(C)C[C@@H]([NH2+]CC[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CCO1 ZINC000032100139 570959639 /nfs/dbraw/zinc/95/96/39/570959639.db2.gz WWBPCYAMDXTOLI-SFTDATJTSA-N 1 0 375.915 5.548 50 0 GKAARO Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(C)C(c1ccccc1)=[NH+]2 ZINC000012699652 570965351 /nfs/dbraw/zinc/96/53/51/570965351.db2.gz UAUYNOHWCKZLJM-QHCPKHFHSA-N 1 0 378.479 5.294 50 0 GKAARO COc1ccccc1[C@H](CC[NH2+][C@H](C)c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000002151434 570972939 /nfs/dbraw/zinc/97/29/39/570972939.db2.gz LEYZFLIHBYLOSI-BAGYTPMASA-N 1 0 381.560 5.725 50 0 biogenic GKAARO COc1ccc(C[NH2+]CC[C@H](CCC(C)C)c2ccc3c(c2)OCO3)cc1OC ZINC000002161431 570982133 /nfs/dbraw/zinc/98/21/33/570982133.db2.gz HJSUXGALSFTJIF-IBGZPJMESA-N 1 0 399.531 5.132 50 0 biogenic GKAARO COc1ccc(C[NH2+]CC[C@@H](CCC(C)C)c2ccc3c(c2)OCO3)cc1OC ZINC000002161433 570982505 /nfs/dbraw/zinc/98/25/05/570982505.db2.gz HJSUXGALSFTJIF-LJQANCHMSA-N 1 0 399.531 5.132 50 0 biogenic GKAARO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)c1cc(Cl)c(N)c(Cl)c1 ZINC000252517867 570984070 /nfs/dbraw/zinc/98/40/70/570984070.db2.gz SYQUINBMOZCMBX-XEKQOVJPSA-N 1 0 398.403 5.371 50 0 GKAARO Cc1c([C@H](C)[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)cnn1C(C)C ZINC000252523196 570987702 /nfs/dbraw/zinc/98/77/02/570987702.db2.gz CAXLEUOBLTXRFX-INIZCTEOSA-N 1 0 394.494 5.015 50 0 GKAARO CC[C@@H](C)c1ccc([C@H]([NH2+]Cc2cc(=O)n3cc(C)ccc3n2)C(C)C)cc1 ZINC000007719025 571020029 /nfs/dbraw/zinc/02/00/29/571020029.db2.gz KFLHCPYOCSFYSL-HOYKHHGWSA-N 1 0 377.532 5.003 50 0 GKAARO Fc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1F ZINC000019635614 571022297 /nfs/dbraw/zinc/02/22/97/571022297.db2.gz IJCIJYGWMXGSKW-AWEZNQCLSA-N 1 0 389.396 5.013 50 0 GKAARO Fc1cc(F)cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)c1 ZINC000084572957 571023638 /nfs/dbraw/zinc/02/36/38/571023638.db2.gz QSQATRMWSYNKIH-UHFFFAOYSA-N 1 0 381.451 5.169 50 0 GKAARO Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000084595048 571025715 /nfs/dbraw/zinc/02/57/15/571025715.db2.gz PYOYBDNJLXBFDA-SFHVURJKSA-N 1 0 389.442 5.907 50 0 GKAARO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037560491 571031606 /nfs/dbraw/zinc/03/16/06/571031606.db2.gz KYYQKAHGUIZEJU-UHFFFAOYSA-N 1 0 386.486 5.071 50 0 GKAARO Cc1ccc(N(C(=O)c2cccc(C)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000037560637 571031790 /nfs/dbraw/zinc/03/17/90/571031790.db2.gz VOEKGEJSMWWIMX-UHFFFAOYSA-N 1 0 398.550 5.615 50 0 GKAARO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000037570648 571032656 /nfs/dbraw/zinc/03/26/56/571032656.db2.gz TTXBZOBOJOEYHE-UHFFFAOYSA-N 1 0 382.523 5.240 50 0 GKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000037580756 571034415 /nfs/dbraw/zinc/03/44/15/571034415.db2.gz ZDBIDOZLTRVNGX-UHFFFAOYSA-N 1 0 398.550 5.560 50 0 GKAARO C[C@@H]1C[N@@H+](CCCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000016247238 571046079 /nfs/dbraw/zinc/04/60/79/571046079.db2.gz CCOLCOPPEFRFIM-OYRHEFFESA-N 1 0 381.560 5.281 50 0 GKAARO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1 ZINC000017315433 210208927 /nfs/dbraw/zinc/20/89/27/210208927.db2.gz RHIKKIUBHCLXMB-INIZCTEOSA-N 1 0 390.437 5.063 50 0 GKAARO CCc1c(C)sc2c1CC[N@H+](Cc1ccc(Cl)cc1)[C@@H]2c1ccccc1 ZINC000015864891 210176514 /nfs/dbraw/zinc/17/65/14/210176514.db2.gz CDESZZGHFNFNOX-JOCHJYFZSA-N 1 0 381.972 6.420 50 0 GKAARO CCOc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c(C)o1 ZINC000015073903 210151176 /nfs/dbraw/zinc/15/11/76/210151176.db2.gz ZQNKPBCNBNRWRT-FQEVSTJZSA-N 1 0 376.500 5.428 50 0 GKAARO Cc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C2CCCCCCC2)CC1 ZINC000015072321 210148307 /nfs/dbraw/zinc/14/83/07/210148307.db2.gz GBEJWMCMCHAMHH-UHFFFAOYSA-N 1 0 394.563 5.194 50 0 GKAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CCC1=CCCCC1 ZINC000015068840 210148369 /nfs/dbraw/zinc/14/83/69/210148369.db2.gz PLADMFDMLXCKBO-HXUWFJFHSA-N 1 0 394.481 5.067 50 0 GKAARO Fc1ccccc1CN(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015067399 210147301 /nfs/dbraw/zinc/14/73/01/210147301.db2.gz ZFJJZZJUVRJRFD-JOCHJYFZSA-N 1 0 395.566 5.268 50 0 GKAARO CC(C)[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000229845702 222713554 /nfs/dbraw/zinc/71/35/54/222713554.db2.gz QTRIGFJYNKGEIO-ROXDYWFKSA-N 1 0 389.514 5.761 50 0 GKAARO C[C@@H]1[C@H](c2ccccc2)[NH+](C)[C@@H](c2ccccc2)[C@@H](C)C1(O)Cc1ccccc1 ZINC000013756326 210088273 /nfs/dbraw/zinc/08/82/73/210088273.db2.gz XYXSWNLJRUZOJN-FJIJVGMHSA-N 1 0 385.551 5.660 50 0 GKAARO CC(C)[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000013633560 210074713 /nfs/dbraw/zinc/07/47/13/210074713.db2.gz KLOBRRLODJPCDR-XDZXDJIYSA-N 1 0 385.551 5.708 50 0 GKAARO Cc1cccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2ccccc2OC(F)F)c1C ZINC000011763002 209883979 /nfs/dbraw/zinc/88/39/79/209883979.db2.gz MOUYMAXEHYVANZ-IBGZPJMESA-N 1 0 397.469 5.258 50 0 GKAARO CCC[C@@](O)(c1ccc(OC)c(F)c1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000003642853 209450898 /nfs/dbraw/zinc/45/08/98/209450898.db2.gz QXSGOLKQCJTVIL-ZJSXRUAMSA-N 1 0 385.523 5.092 50 0 GKAARO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1OCc1ccccc1 ZINC000002770618 209384127 /nfs/dbraw/zinc/38/41/27/209384127.db2.gz BZKFKMJKMGZZKC-UHFFFAOYSA-N 1 0 381.903 5.260 50 0 GKAARO COc1cc(C[NH2+]C2CCCCC2)c(Br)cc1OC1CCCC1 ZINC000002890183 209395860 /nfs/dbraw/zinc/39/58/60/209395860.db2.gz YVEHDJIUTXAJIU-UHFFFAOYSA-N 1 0 382.342 5.201 50 0 GKAARO CC[NH+](CC)CCCOc1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000002431914 209363864 /nfs/dbraw/zinc/36/38/64/209363864.db2.gz GPYLDVYSGHCGOQ-UHFFFAOYSA-N 1 0 375.472 5.154 50 0 GKAARO c1ccc2sc(NCCCOc3cccc(C[NH+]4CCCCC4)c3)nc2c1 ZINC000002386778 209359612 /nfs/dbraw/zinc/35/96/12/209359612.db2.gz KUBONGDXTUOOLM-UHFFFAOYSA-N 1 0 381.545 5.163 50 0 in-vitro GKAARO O=C(c1cccc2ccccc21)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000001203305 209313496 /nfs/dbraw/zinc/31/34/96/209313496.db2.gz GUTAHEWRMFUMOW-UHFFFAOYSA-N 1 0 398.550 5.324 50 0 GKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)[NH+]2CCCCC2)c1C ZINC000000935749 209281184 /nfs/dbraw/zinc/28/11/84/209281184.db2.gz FXNMXVWJKSPZDY-NRFANRHFSA-N 1 0 394.540 5.786 50 0 GKAARO Clc1ccc(C[NH2+]CC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000001798339 209228416 /nfs/dbraw/zinc/22/84/16/209228416.db2.gz LEGHNZNZFBQOLP-OAQYLSRUSA-N 1 0 379.887 5.381 50 0 biogenic GKAARO CCCCOc1ccc([C@H](O)[C@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000001781642 212256328 /nfs/dbraw/zinc/25/63/28/212256328.db2.gz HHWZRJJAOKEIDL-RPBOFIJWSA-N 1 0 381.560 5.559 50 0 GKAARO CCCCOc1ccc([C@H](O)[C@@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000001781637 212255204 /nfs/dbraw/zinc/25/52/04/212255204.db2.gz HHWZRJJAOKEIDL-DQEYMECFSA-N 1 0 381.560 5.559 50 0 GKAARO Cc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000010351345 212252628 /nfs/dbraw/zinc/25/26/28/212252628.db2.gz ZLIVROVTRXNGGA-ACJLOTCBSA-N 1 0 377.315 5.370 50 0 GKAARO Cc1cc(C)c(NC(=O)[C@@H]2CCCC[N@@H+]2C2C3CC4CC(C3)CC2C4)c(C)c1 ZINC000001227815 212230836 /nfs/dbraw/zinc/23/08/36/212230836.db2.gz DAZNHXYKNYGEKB-OAQUMOLUSA-N 1 0 380.576 5.230 50 0 GKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3ccccc3)CCC[C@]21C ZINC000006365195 212070542 /nfs/dbraw/zinc/07/05/42/212070542.db2.gz CBLMOOKPRRHEJH-KWXIBIRDSA-N 1 0 375.600 6.610 50 0 GKAARO COc1ccccc1C1=C(C[NH+](C)C)[C@@H](c2ccc(C)cc2)c2ccccc2O1 ZINC000001405939 212061268 /nfs/dbraw/zinc/06/12/68/212061268.db2.gz DQTAUYVWDPRQGZ-VWLOTQADSA-N 1 0 385.507 5.501 50 0 GKAARO CC[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(c1nc(-c3ccccc3)cs1)[NH2+]2 ZINC000251611515 212058648 /nfs/dbraw/zinc/05/86/48/212058648.db2.gz LAORYDCCCIFVJH-IAISJRAMSA-N 1 0 395.450 5.063 50 0 GKAARO C[C@@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@@H]2C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]21 ZINC000257348297 212029970 /nfs/dbraw/zinc/02/99/70/212029970.db2.gz DCQBOIHKCBTVFH-STMGFCRYSA-N 1 0 397.647 5.943 50 0 GKAARO CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000000902197 203863040 /nfs/dbraw/zinc/86/30/40/203863040.db2.gz TXUZVZSFRXZGTL-QPLCGJKRSA-N 1 0 387.523 5.702 50 0 world GKAARO CC[NH+](CC)CCOc1ccccc1-c1[nH]c2ccccc2c1Cc1ccccc1 ZINC000001308649 203901105 /nfs/dbraw/zinc/90/11/05/203901105.db2.gz BGVODDBUZXRMIR-UHFFFAOYSA-N 1 0 398.550 6.146 50 0 GKAARO CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2)c(C(C)(C)CC)c1 ZINC000001923864 203921795 /nfs/dbraw/zinc/92/17/95/203921795.db2.gz PDJZSOPTHHVYSX-UHFFFAOYSA-N 1 0 382.612 6.517 50 0 GKAARO CCCC[NH+](CCCC)Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000001925570 203923067 /nfs/dbraw/zinc/92/30/67/203923067.db2.gz NHLUEFWXIZDGPF-UHFFFAOYSA-N 1 0 398.616 6.281 50 0 GKAARO Cc1c(Cl)cccc1NC(=S)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000004299750 204037015 /nfs/dbraw/zinc/03/70/15/204037015.db2.gz XZZYOPNZFMQEMM-KRWDZBQOSA-N 1 0 380.001 5.076 50 0 GKAARO CCCCC[NH+](CCCCC)CC(=O)Nc1c2c(nc3ccccc31)CCC2 ZINC000004320321 204037612 /nfs/dbraw/zinc/03/76/12/204037612.db2.gz KZBLEFBVRQVELU-UHFFFAOYSA-N 1 0 381.564 5.344 50 0 GKAARO CC[NH+](CC)CCn1c2ccccc2n2cc(C34CC5CC(CC(C5)C3)C4)nc21 ZINC000003833051 204019008 /nfs/dbraw/zinc/01/90/08/204019008.db2.gz WTJCVTSKRCPGPQ-UHFFFAOYSA-N 1 0 390.575 5.099 50 0 GKAARO CC1(C)CC(NC(=S)Nc2ccc(Oc3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000004145015 204029046 /nfs/dbraw/zinc/02/90/46/204029046.db2.gz QGSMKXPMWYGGRZ-UHFFFAOYSA-N 1 0 383.561 5.075 50 0 GKAARO CCc1ccccc1NC(=S)N(CCC[NH+]1CCCCCC1)Cc1ccco1 ZINC000004193725 204033000 /nfs/dbraw/zinc/03/30/00/204033000.db2.gz FYGPOIUNVVJMRH-UHFFFAOYSA-N 1 0 399.604 5.307 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccc(F)cc2)[C@@H](C)C(C)C)c1 ZINC000004907889 204090058 /nfs/dbraw/zinc/09/00/58/204090058.db2.gz GTVALLXDVNUQPM-NRFANRHFSA-N 1 0 378.535 6.031 50 0 GKAARO Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C(C)C)CC2)c1 ZINC000004908096 204090411 /nfs/dbraw/zinc/09/04/11/204090411.db2.gz DLEVSWDTWFHFOZ-QHCPKHFHSA-N 1 0 389.543 5.047 50 0 GKAARO COc1cccc(C[N@@H+](Cc2cccn2Cc2ccc(C)cc2)CC(C)C)c1 ZINC000004422289 204044600 /nfs/dbraw/zinc/04/46/00/204044600.db2.gz AFDWVGOUIRFQPH-UHFFFAOYSA-N 1 0 376.544 5.512 50 0 GKAARO COCCn1c(-c2ccccc2)cn2c1nc(-c1ccccc1)c2-c1ccccc1 ZINC000004625624 204057880 /nfs/dbraw/zinc/05/78/80/204057880.db2.gz HRPSNAQZWMUTPF-UHFFFAOYSA-N 1 0 393.490 5.783 50 0 GKAARO CCC[C@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(C)O ZINC000004652795 204059883 /nfs/dbraw/zinc/05/98/83/204059883.db2.gz LIBIPIXHWFBTLG-UVZNROCMSA-N 1 0 392.370 6.182 50 0 GKAARO CCC[C@H]1[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(C)O ZINC000004652797 204059986 /nfs/dbraw/zinc/05/99/86/204059986.db2.gz LIBIPIXHWFBTLG-FAAFFXKRSA-N 1 0 392.370 6.182 50 0 GKAARO c1ccc(-c2cc(-c3ccccc3)[n+](Cc3ccccn3)c(-c3ccccc3)c2)cc1 ZINC000004661733 204060748 /nfs/dbraw/zinc/06/07/48/204060748.db2.gz OSUIPAIEBGWNJA-UHFFFAOYSA-N 1 0 399.517 6.418 50 0 GKAARO CSc1cccc(NC(=S)NCC[N@H+](C2CCCC2)C2CCCCC2)c1 ZINC000004669810 204061638 /nfs/dbraw/zinc/06/16/38/204061638.db2.gz ATQKYZYSVWGLSV-UHFFFAOYSA-N 1 0 391.650 5.272 50 0 GKAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1Cl ZINC000004668274 204062427 /nfs/dbraw/zinc/06/24/27/204062427.db2.gz QNLYQLCEEGGSRT-OXJNMPFZSA-N 1 0 394.028 5.320 50 0 GKAARO COCCn1c(-c2ccccc2)c[nH+]c1NCc1cccc(Cl)c1Cl ZINC000004679211 204063254 /nfs/dbraw/zinc/06/32/54/204063254.db2.gz WSWQKLYTNKZZMH-UHFFFAOYSA-N 1 0 376.287 5.115 50 0 GKAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1ccc(Cl)cc1 ZINC000004678530 204063424 /nfs/dbraw/zinc/06/34/24/204063424.db2.gz MCISQOQCIOSWBC-UHFFFAOYSA-N 1 0 376.685 5.115 50 0 GKAARO COc1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccc(OC)cc3)c2)cc1 ZINC000005360721 204128679 /nfs/dbraw/zinc/12/86/79/204128679.db2.gz QEWAAOGYSXFVGO-UHFFFAOYSA-N 1 0 385.508 7.047 50 0 GKAARO COc1ccc([C@](O)(CCC(C)C)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744323 204198022 /nfs/dbraw/zinc/19/80/22/204198022.db2.gz LQTRUZIZCSVCCE-CLJLJLNGSA-N 1 0 395.587 5.589 50 0 GKAARO CCCCC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744297 204198766 /nfs/dbraw/zinc/19/87/66/204198766.db2.gz SVRFXBVYYZARBQ-FTJBHMTQSA-N 1 0 395.587 5.733 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 ZINC000006755298 204201215 /nfs/dbraw/zinc/20/12/15/204201215.db2.gz HRTPYIWQOJKYFM-QHCPKHFHSA-N 1 0 383.894 5.800 50 0 GKAARO CCc1ccc([C@@H](CNc2ncnc3sc4c(c32)CCCCC4)[NH+](C)C)cc1 ZINC000006881310 204220479 /nfs/dbraw/zinc/22/04/79/204220479.db2.gz FBOMMAILBBJCEW-LJQANCHMSA-N 1 0 394.588 5.237 50 0 GKAARO C[NH+](C)[C@H](CNc1ncnc2cc(-c3ccc(F)cc3)sc21)c1ccccc1 ZINC000008071652 204260622 /nfs/dbraw/zinc/26/06/22/204260622.db2.gz GOOZTQNVIPDOFY-LJQANCHMSA-N 1 0 392.503 5.212 50 0 GKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000009942405 204327559 /nfs/dbraw/zinc/32/75/59/204327559.db2.gz AAFVWZZJVPWLKO-UHFFFAOYSA-N 1 0 396.579 5.341 50 0 GKAARO Cc1ccc(C[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)o1 ZINC000011933605 204361739 /nfs/dbraw/zinc/36/17/39/204361739.db2.gz XFXHNDIAKMXXRW-UHFFFAOYSA-N 1 0 393.437 5.317 50 0 GKAARO CC(C)c1nc2cccnc2n1C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000011967079 204366025 /nfs/dbraw/zinc/36/60/25/204366025.db2.gz DURCENILNBZWKB-UHFFFAOYSA-N 1 0 390.556 5.607 50 0 GKAARO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@@H+](C1CCCCC1)C2 ZINC000012218725 204384554 /nfs/dbraw/zinc/38/45/54/204384554.db2.gz RVSYMQKELYDSAZ-UHFFFAOYSA-N 1 0 380.513 5.196 50 0 GKAARO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1CCCCC1 ZINC000016525857 204595982 /nfs/dbraw/zinc/59/59/82/204595982.db2.gz RTHYWKGUUYYEGZ-UHFFFAOYSA-N 1 0 379.931 6.495 50 0 GKAARO Cc1cccc(C[NH+]2CCC(N(C(=O)c3cccs3)c3ccccc3)CC2)c1 ZINC000037560679 205029748 /nfs/dbraw/zinc/02/97/48/205029748.db2.gz PXGINROOPDEDDO-UHFFFAOYSA-N 1 0 390.552 5.368 50 0 GKAARO Cc1cc([C@@H](c2cccc(F)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545876 205037408 /nfs/dbraw/zinc/03/74/08/205037408.db2.gz SWEGLEAOAAUZEG-HXUWFJFHSA-N 1 0 398.503 5.616 50 0 GKAARO CCOc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 ZINC000042628394 205080900 /nfs/dbraw/zinc/08/09/00/205080900.db2.gz HLCLZUHHNFVHNT-KRWDZBQOSA-N 1 0 397.469 5.133 50 0 GKAARO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(C)cc1C)[NH2+]C2 ZINC000055214601 205144737 /nfs/dbraw/zinc/14/47/37/205144737.db2.gz QAFQNDBKFLYMCF-XMMPIXPASA-N 1 0 376.500 5.084 50 0 GKAARO COc1cc(-c2ccc(C)cc2)cc2c1OCC[N@H+](Cc1ccc(C)s1)C2 ZINC000055342476 205147891 /nfs/dbraw/zinc/14/78/91/205147891.db2.gz CZWZDOVHTMOQIB-UHFFFAOYSA-N 1 0 379.525 5.435 50 0 GKAARO C[C@@H](C[NH+](Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccccc1F ZINC000057222628 205155703 /nfs/dbraw/zinc/15/57/03/205155703.db2.gz BCVUGELOWVRESK-IBGZPJMESA-N 1 0 377.459 5.073 50 0 GKAARO Cc1ccc([C@@H](C(=O)NC2CCCC2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000058012602 205162601 /nfs/dbraw/zinc/16/26/01/205162601.db2.gz YMGNMILANIBKAG-VWLOTQADSA-N 1 0 390.571 5.050 50 0 GKAARO Cc1ccc(-c2csc(N3[NH2+]C4=C(CCCCC4)[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000005274848 209122329 /nfs/dbraw/zinc/12/23/29/209122329.db2.gz CEXAMOATLBLXFT-RDTXWAMCSA-N 1 0 395.450 5.126 50 0 GKAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)c1 ZINC000014956999 205180878 /nfs/dbraw/zinc/18/08/78/205180878.db2.gz HDIOFAAHJBTHLE-QFIPXVFZSA-N 1 0 388.511 5.117 50 0 GKAARO FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3ccc4ccccc4c3)cc2)n1 ZINC000065014646 205206662 /nfs/dbraw/zinc/20/66/62/205206662.db2.gz JFZLCDSQUXDXTP-UHFFFAOYSA-N 1 0 381.401 5.334 50 0 GKAARO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2CCCC ZINC000065322369 205230611 /nfs/dbraw/zinc/23/06/11/205230611.db2.gz BZRORBDEUPFJQQ-UHFFFAOYSA-N 1 0 384.568 5.197 50 0 GKAARO CC(C)n1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000065322322 205230948 /nfs/dbraw/zinc/23/09/48/205230948.db2.gz FZUDEVOFXCVIFQ-UHFFFAOYSA-N 1 0 396.560 5.163 50 0 GKAARO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)s1 ZINC000067855776 205263609 /nfs/dbraw/zinc/26/36/09/205263609.db2.gz PKODVQFPDXXFOH-INIZCTEOSA-N 1 0 393.512 5.541 50 0 GKAARO Cc1ccc([C@H](CC[NH2+][C@H](C)c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001801350 205713184 /nfs/dbraw/zinc/71/31/84/205713184.db2.gz GSDFCHVNBSMNQD-AMGIVPHBSA-N 1 0 387.567 6.655 50 0 biogenic GKAARO COc1ccc(C[NH2+]CC[C@H](CCC(C)C)c2ccc(OC(C)C)cc2)cc1 ZINC000005499715 205769729 /nfs/dbraw/zinc/76/97/29/205769729.db2.gz YCVVIDRKQVJJKD-QHCPKHFHSA-N 1 0 383.576 6.182 50 0 GKAARO CC1CC[NH+](CCNc2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000021933198 205938677 /nfs/dbraw/zinc/93/86/77/205938677.db2.gz FFHWCJIXWRIQQG-UHFFFAOYSA-N 1 0 386.952 5.156 50 0 GKAARO C[N@H+](Cc1ccccc1NC(=O)c1cc(-c2ccccc2)on1)C1CCCCC1 ZINC000032900676 206095415 /nfs/dbraw/zinc/09/54/15/206095415.db2.gz YWPSDWGDUKQTOK-UHFFFAOYSA-N 1 0 389.499 5.358 50 0 GKAARO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)nc(-c2ccc(Cl)cc2)n1 ZINC000252492568 206139838 /nfs/dbraw/zinc/13/98/38/206139838.db2.gz MPHYCIIMNNJIBX-VSKRKVRLSA-N 1 0 399.966 5.011 50 0 GKAARO COc1ccccc1C[NH2+]Cc1cc2ccc(F)cc2nc1-c1ccsc1 ZINC000299790231 206191505 /nfs/dbraw/zinc/19/15/05/206191505.db2.gz AVLPCCXIOMWHKY-UHFFFAOYSA-N 1 0 378.472 5.401 50 0 GKAARO Cc1c([C@@H](C)[NH2+]Cc2ccc3nsnc3c2)cnn1-c1cccc2ccccc21 ZINC000055089949 206210644 /nfs/dbraw/zinc/21/06/44/206210644.db2.gz USCLMIRYKSBDHV-OAHLLOKOSA-N 1 0 399.523 5.189 50 0 GKAARO CC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004866074 206259922 /nfs/dbraw/zinc/25/99/22/206259922.db2.gz HKJVXAYMDUGIOW-PLKPRKFZSA-N 1 0 387.523 5.385 50 0 GKAARO COc1ccc(C[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)cc1 ZINC000006871553 211580309 /nfs/dbraw/zinc/58/03/09/211580309.db2.gz RJQRRMAVVYKPEW-DEOSSOPVSA-N 1 0 399.538 5.164 50 0 GKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@@H](C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000005478701 211568157 /nfs/dbraw/zinc/56/81/57/211568157.db2.gz MYGXMCHWGKTZDN-RXFWQSSRSA-N 1 0 391.530 6.486 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(OC)cc2)c2ccccc2OC)cc1 ZINC000001832002 206292425 /nfs/dbraw/zinc/29/24/25/206292425.db2.gz OJPCZQJSRIQTSG-HSZRJFAPSA-N 1 0 391.511 5.024 50 0 biogenic GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004027189 206293889 /nfs/dbraw/zinc/29/38/89/206293889.db2.gz DBOUKUPGIYVACZ-IFMALSPDSA-N 1 0 397.559 5.173 50 0 biogenic GKAARO C[NH+](C)CCn1c2ccccc2n2cc(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000000821035 206323758 /nfs/dbraw/zinc/32/37/58/206323758.db2.gz QBFYJZGFOCBRGO-UHFFFAOYSA-N 1 0 380.495 5.185 50 0 GKAARO COc1cccc(CNc2ccc3c(c2)[nH+]c(C)n3Cc2ccccc2)c1OC ZINC000000862240 206329096 /nfs/dbraw/zinc/32/90/96/206329096.db2.gz UXEISFZYALQVNJ-UHFFFAOYSA-N 1 0 387.483 5.022 50 0 GKAARO CC1CC[NH+](CC(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)CC1 ZINC000000985229 206338917 /nfs/dbraw/zinc/33/89/17/206338917.db2.gz JXLFFAAQUYVVSV-AREMUKBSSA-N 1 0 390.571 5.240 50 0 GKAARO COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCCCCC2)cc1 ZINC000001447654 206382276 /nfs/dbraw/zinc/38/22/76/206382276.db2.gz QWCZDUOHYYKMGW-UHFFFAOYSA-N 1 0 398.510 5.477 50 0 GKAARO Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2cccs2)c1 ZINC000001447566 206382314 /nfs/dbraw/zinc/38/23/14/206382314.db2.gz GVCUYCDHRWBKOV-UHFFFAOYSA-N 1 0 396.519 6.070 50 0 GKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000002101954 206399570 /nfs/dbraw/zinc/39/95/70/206399570.db2.gz AQHXOJGUVWTVFI-RUZDIDTESA-N 1 0 381.560 5.481 50 0 biogenic GKAARO CC(C)Oc1ccc(C[NH2+]CC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000002101956 206399617 /nfs/dbraw/zinc/39/96/17/206399617.db2.gz AQHXOJGUVWTVFI-VWLOTQADSA-N 1 0 381.560 5.481 50 0 biogenic GKAARO CCC[C@@](O)(c1ccc(OC)c(F)c1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000003642848 206491365 /nfs/dbraw/zinc/49/13/65/206491365.db2.gz QXSGOLKQCJTVIL-XUZZJYLKSA-N 1 0 385.523 5.092 50 0 GKAARO CCC[C@@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000006811628 206681510 /nfs/dbraw/zinc/68/15/10/206681510.db2.gz PQSHIPPEHNPMAR-CLJLJLNGSA-N 1 0 395.587 5.733 50 0 GKAARO CCC[C@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000006811629 206681559 /nfs/dbraw/zinc/68/15/59/206681559.db2.gz PQSHIPPEHNPMAR-FTJBHMTQSA-N 1 0 395.587 5.733 50 0 GKAARO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1cc(Cl)c(N)c(Cl)c1 ZINC000089904540 211185366 /nfs/dbraw/zinc/18/53/66/211185366.db2.gz SYQUINBMOZCMBX-QUJCMNEKSA-N 1 0 398.403 5.371 50 0 GKAARO COc1ccc([C@H]2[NH2+]C[C@@H](c3ccc(N(C)C)cc3)c3c4ccccc4[nH]c32)cc1 ZINC000083854275 211166147 /nfs/dbraw/zinc/16/61/47/211166147.db2.gz LQBLVWJDOSDWSD-WIOPSUGQSA-N 1 0 397.522 5.067 50 0 GKAARO CC(=O)Nc1ccc(C[NH+]2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000071770736 211062660 /nfs/dbraw/zinc/06/26/60/211062660.db2.gz ULTQHSWCSYYROY-UHFFFAOYSA-N 1 0 398.550 5.689 50 0 GKAARO CC(=C(c1ccccc1)c1ccccc1)[PH+](C1CCCCC1)C1CCCCC1 ZINC000071771826 211062700 /nfs/dbraw/zinc/06/27/00/211062700.db2.gz YMSBPYCREGBACF-UHFFFAOYSA-N 1 0 390.551 8.613 50 0 GKAARO COc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008470194 206751665 /nfs/dbraw/zinc/75/16/65/206751665.db2.gz COJOYNVADYBDJP-UHFFFAOYSA-N 1 0 394.342 6.003 50 0 GKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000009387862 206785425 /nfs/dbraw/zinc/78/54/25/206785425.db2.gz NSXBSIKZQFOSRH-HXUWFJFHSA-N 1 0 382.511 5.045 50 0 GKAARO CCOCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315556 206810993 /nfs/dbraw/zinc/81/09/93/206810993.db2.gz BRSVUUNRYBUDBP-UHFFFAOYSA-N 1 0 391.342 5.513 50 0 GKAARO O=C(CC[C@H]1CCC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1)Nc1ccccc1F ZINC000011873285 206839254 /nfs/dbraw/zinc/83/92/54/206839254.db2.gz OOMISKHSUBTYFP-OQOKOFKUSA-N 1 0 384.539 5.225 50 0 GKAARO O=C(CCC1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1)Nc1ccccc1Cl ZINC000011999760 206847902 /nfs/dbraw/zinc/84/79/02/206847902.db2.gz QXHQOFMILKSCDC-OAQYLSRUSA-N 1 0 396.962 5.328 50 0 GKAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000014138660 207012029 /nfs/dbraw/zinc/01/20/29/207012029.db2.gz ACOKSCLMTQHBCV-KRWDZBQOSA-N 1 0 392.524 5.136 50 0 GKAARO CCc1c(C)sc2c1CC[N@H+](Cc1cc(C)ccc1C)[C@H]2c1ccccc1 ZINC000015864872 207064457 /nfs/dbraw/zinc/06/44/57/207064457.db2.gz HYKLQUMMCYRVRI-DEOSSOPVSA-N 1 0 375.581 6.383 50 0 GKAARO CC(=O)c1ccc(-[n+]2cc(-c3ccc(C(C)(C)C)cc3)n3c2SCCC3)cc1 ZINC000015953154 207068544 /nfs/dbraw/zinc/06/85/44/207068544.db2.gz FQWULLSLWZVYRV-UHFFFAOYSA-N 1 0 391.560 5.428 50 0 GKAARO C[C@H]1CCCC[N@@H+]1CCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000015781640 207061402 /nfs/dbraw/zinc/06/14/02/207061402.db2.gz WPPUYRNNTGLCFX-INIZCTEOSA-N 1 0 380.923 5.237 50 0 GKAARO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(Cl)c1 ZINC000017314595 207087966 /nfs/dbraw/zinc/08/79/66/207087966.db2.gz HZLWOHWYHKADMM-HNNXBMFYSA-N 1 0 399.321 6.097 50 0 GKAARO c1ccc(CCC[NH+]2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019889682 207167989 /nfs/dbraw/zinc/16/79/89/207167989.db2.gz CSDWAWHUPSSWKC-UHFFFAOYSA-N 1 0 386.539 5.229 50 0 GKAARO CC(C)(C)[NH+]1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019802398 207163035 /nfs/dbraw/zinc/16/30/35/207163035.db2.gz BEIMITMVQGQSKU-IBGZPJMESA-N 1 0 386.992 5.505 50 0 GKAARO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)s1 ZINC000019800166 207163397 /nfs/dbraw/zinc/16/33/97/207163397.db2.gz MGJGRPFSWUFVLX-UHFFFAOYSA-N 1 0 397.569 5.031 50 0 GKAARO Fc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(F)c1 ZINC000020166520 207181854 /nfs/dbraw/zinc/18/18/54/207181854.db2.gz FXHQJZNHNXASDA-AWEZNQCLSA-N 1 0 389.396 5.013 50 0 GKAARO Cc1ccc(C[NH2+]CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000020365327 207189654 /nfs/dbraw/zinc/18/96/54/207189654.db2.gz FNDYZSXDLYDYHL-UHFFFAOYSA-N 1 0 386.322 5.328 50 0 GKAARO Cc1ccc(COc2cccc(C[NH2+]C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)c2)cc1 ZINC000020874428 207216176 /nfs/dbraw/zinc/21/61/76/207216176.db2.gz VJDCJLGUWMRGAQ-INPZHYGNSA-N 1 0 389.583 6.413 50 0 GKAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000020874233 207216656 /nfs/dbraw/zinc/21/66/56/207216656.db2.gz AWAOTMJXYPXHKO-AREMUKBSSA-N 1 0 397.518 5.550 50 0 GKAARO CO[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000020910652 207219557 /nfs/dbraw/zinc/21/95/57/207219557.db2.gz PLMNYDHJBQDLCJ-NRFANRHFSA-N 1 0 389.524 5.283 50 0 GKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)CCC3CCCC3)cc12)CC1CC1 ZINC000022345918 207252195 /nfs/dbraw/zinc/25/21/95/207252195.db2.gz UPQOUKNKWAIRFF-UHFFFAOYSA-N 1 0 395.591 5.741 50 0 GKAARO CCOc1cccc(C[NH+]2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000022657522 207257893 /nfs/dbraw/zinc/25/78/93/207257893.db2.gz CBGCCKWMWBWCEU-UHFFFAOYSA-N 1 0 385.551 6.207 50 0 GKAARO C[N@H+](Cc1ccc(-c2nc(C(F)F)cc(=O)[nH]2)cc1)[C@@H]1CCCc2ccccc21 ZINC000023129408 207270742 /nfs/dbraw/zinc/27/07/42/207270742.db2.gz UHCPHOMBDIEYGJ-HXUWFJFHSA-N 1 0 395.453 5.296 50 0 GKAARO CCOc1cccc(-c2cccc(-c3nc(C[NH+]4CCCCC4)cs3)c2)c1 ZINC000023320163 207273154 /nfs/dbraw/zinc/27/31/54/207273154.db2.gz SANVQEKVSNHMEN-UHFFFAOYSA-N 1 0 378.541 5.862 50 0 GKAARO CC1(C)CC(=O)C[C@@]2(C1)[NH2+]C[C@H](c1ccccc1Cl)c1c3ccccc3[nH]c12 ZINC000023908178 207283999 /nfs/dbraw/zinc/28/39/99/207283999.db2.gz YDXXMDROEYQMOS-KOSHJBKYSA-N 1 0 392.930 5.531 50 0 GKAARO Cc1c2ccccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027664675 207328659 /nfs/dbraw/zinc/32/86/59/207328659.db2.gz LOSLQJQKJGOQLO-SFHVURJKSA-N 1 0 382.529 5.150 50 0 GKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000028287610 207340041 /nfs/dbraw/zinc/34/00/41/207340041.db2.gz LTXZDERRMHHVPB-QFIPXVFZSA-N 1 0 390.527 5.315 50 0 GKAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+](C2CCCCC2)C2CCCCC2)c1 ZINC000028296616 207341457 /nfs/dbraw/zinc/34/14/57/207341457.db2.gz GPKYEWGPXRLRMB-HSZRJFAPSA-N 1 0 387.608 5.826 50 0 GKAARO Brc1ccccc1-c1nnc(C[N@H+](CC2CC2)C2CCCCC2)o1 ZINC000084514877 208090482 /nfs/dbraw/zinc/09/04/82/208090482.db2.gz FCBGLIWZZQMURS-UHFFFAOYSA-N 1 0 390.325 5.044 50 0 GKAARO CC(C)[C@@H](CNc1cc(C(F)(F)F)nc2ccccc21)[NH+]1CCCCCC1 ZINC000089791394 208109934 /nfs/dbraw/zinc/10/99/34/208109934.db2.gz APRHCOGZDHLPDC-LJQANCHMSA-N 1 0 379.470 5.566 50 0 GKAARO CC1(C)C[C@@H]([NH2+]CC[C@]2(c3ccc(Cl)cc3)CCOC(C)(C)C2)CCO1 ZINC000095479276 208195783 /nfs/dbraw/zinc/19/57/83/208195783.db2.gz ZYHHAMIZRMGREI-UGKGYDQZSA-N 1 0 379.972 5.104 50 0 GKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(CCC(C)C)CCO1 ZINC000004073456 208535935 /nfs/dbraw/zinc/53/59/35/208535935.db2.gz DRYXFCZAYHEIFL-BJKOFHAPSA-N 1 0 391.596 5.585 50 0 biogenic GKAARO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)o1 ZINC000020322975 210327064 /nfs/dbraw/zinc/32/70/64/210327064.db2.gz SIJGEGZKNPAUNG-MRXNPFEDSA-N 1 0 377.444 5.072 50 0 GKAARO CCCCC[C@](O)(c1ccc(CC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020441041 210334056 /nfs/dbraw/zinc/33/40/56/210334056.db2.gz VVRNWCBRDVBEKY-UIOOFZCWSA-N 1 0 395.587 5.133 50 0 GKAARO C[C@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1)[C@@H](O)c1ccccc1 ZINC000019872080 210305555 /nfs/dbraw/zinc/30/55/55/210305555.db2.gz BJMUGVJXKMIWFB-GAJHUEQPSA-N 1 0 381.903 5.131 50 0 GKAARO Cc1ccc([C@H](CC[NH2+][C@H](C)c2cccs2)c2ccc(OC(C)C)cc2)cc1 ZINC000002338292 220524686 /nfs/dbraw/zinc/52/46/86/220524686.db2.gz JFTIZPLEIBIVBU-YKSBVNFPSA-N 1 0 393.596 6.717 50 0 GKAARO CCCCCOc1ccc([C@](C)(O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006727328 220953241 /nfs/dbraw/zinc/95/32/41/220953241.db2.gz ADRMJWHNHVJYJJ-FTJBHMTQSA-N 1 0 395.587 5.733 50 0 GKAARO Clc1cc(Cl)cc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)c1 ZINC000007524731 221000325 /nfs/dbraw/zinc/00/03/25/221000325.db2.gz OPJCPTLGBYDTAQ-UHFFFAOYSA-N 1 0 376.239 5.272 50 0 GKAARO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000008038060 221024961 /nfs/dbraw/zinc/02/49/61/221024961.db2.gz VSTVIPOZCPTYBY-MRXNPFEDSA-N 1 0 388.920 5.023 50 0 GKAARO C[NH+](C)C1(CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)CCCCC1 ZINC000007989087 221021468 /nfs/dbraw/zinc/02/14/68/221021468.db2.gz ZBGBNHFDCDDKFS-UHFFFAOYSA-N 1 0 399.585 5.019 50 0 GKAARO c1ccc(Oc2cccc(OCCC[N@@H+]3CCCC[C@@H]3c3cccnc3)c2)cc1 ZINC000008792599 221060298 /nfs/dbraw/zinc/06/02/98/221060298.db2.gz HTAFICSOXNYDIV-RUZDIDTESA-N 1 0 388.511 5.870 50 0 biogenic GKAARO COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2F)cc1 ZINC000008474352 221042220 /nfs/dbraw/zinc/04/22/20/221042220.db2.gz ZNGKORKQRLKKFW-UHFFFAOYSA-N 1 0 399.893 5.399 50 0 GKAARO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000008535313 221043959 /nfs/dbraw/zinc/04/39/59/221043959.db2.gz YUJDMVRHMMRISA-MRXNPFEDSA-N 1 0 386.322 6.423 50 0 GKAARO COc1ccccc1NC1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000010060504 221096386 /nfs/dbraw/zinc/09/63/86/221096386.db2.gz WZRVSNVLBFVHIG-UHFFFAOYSA-N 1 0 388.511 5.564 50 0 GKAARO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000011818317 221127917 /nfs/dbraw/zinc/12/79/17/221127917.db2.gz ZTBOJCYKMUSQMH-JOCHJYFZSA-N 1 0 388.490 5.296 50 0 GKAARO Cc1ccc(C)c(-n2cc(C[NH2+]Cc3cccc(C)n3)c(-c3ccccc3)n2)c1 ZINC000011821752 221129168 /nfs/dbraw/zinc/12/91/68/221129168.db2.gz PGWCRVRIWAKILR-UHFFFAOYSA-N 1 0 382.511 5.149 50 0 GKAARO CC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)c1 ZINC000011840242 221130616 /nfs/dbraw/zinc/13/06/16/221130616.db2.gz WISSCKMNMDHFDU-KRWDZBQOSA-N 1 0 383.495 5.387 50 0 GKAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000011934264 221138137 /nfs/dbraw/zinc/13/81/37/221138137.db2.gz NBGOVIVPRQQPBO-SFHVURJKSA-N 1 0 387.955 5.138 50 0 GKAARO COc1ccc2cc(C[NH2+]C[C@H](C)c3ccccc3)c(-c3ccsc3)nc2c1 ZINC000011979498 221140629 /nfs/dbraw/zinc/14/06/29/221140629.db2.gz RGLZQWLRTYUINO-KRWDZBQOSA-N 1 0 388.536 5.865 50 0 GKAARO CSc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000012037705 221144749 /nfs/dbraw/zinc/14/47/49/221144749.db2.gz MPJYYXWLRMMEOE-QFIPXVFZSA-N 1 0 398.616 5.017 50 0 GKAARO CSc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012112177 221150894 /nfs/dbraw/zinc/15/08/94/221150894.db2.gz HHTPTPCWCRDADW-QGZVFWFLSA-N 1 0 386.536 5.179 50 0 GKAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C(=O)c2cccc3ccccc32)C1 ZINC000012299251 221176007 /nfs/dbraw/zinc/17/60/07/221176007.db2.gz QHQJFZBAAPVSJX-OAQYLSRUSA-N 1 0 389.543 5.329 50 0 GKAARO CC(C)C[NH+]1CCC(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)CC1 ZINC000012314207 221179729 /nfs/dbraw/zinc/17/97/29/221179729.db2.gz JPBLBQSFZYHTOW-UHFFFAOYSA-N 1 0 375.516 5.141 50 0 GKAARO c1csc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1 ZINC000012185737 221164005 /nfs/dbraw/zinc/16/40/05/221164005.db2.gz PZGGVQZFKNEXNR-GOSISDBHSA-N 1 0 382.485 5.249 50 0 GKAARO CCOc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)cc1 ZINC000012586853 221211744 /nfs/dbraw/zinc/21/17/44/221211744.db2.gz KISUAUUVANHVEN-LJQANCHMSA-N 1 0 398.522 5.164 50 0 GKAARO Cc1ccc(C)c(-[n+]2c(-c3ccc(OC(F)F)cc3)cn3c2SCCC3)c1 ZINC000012762579 221228112 /nfs/dbraw/zinc/22/81/12/221228112.db2.gz IPNNFZYWNZFODA-UHFFFAOYSA-N 1 0 387.475 5.146 50 0 GKAARO COc1ccccc1[C@]1(CC[NH2+][C@H](C)c2cccs2)CCO[C@@H](C(C)C)C1 ZINC000013143314 221263244 /nfs/dbraw/zinc/26/32/44/221263244.db2.gz CEYBVEUXOMNZSU-JMUQELJHSA-N 1 0 387.589 5.570 50 0 GKAARO CCOc1ccc(-c2c(C)[n+](-c3ccc(OCC)cc3)c3n2CCCCC3)cc1 ZINC000013686361 221281046 /nfs/dbraw/zinc/28/10/46/221281046.db2.gz PZLSVBQHOMDHFI-UHFFFAOYSA-N 1 0 391.535 5.264 50 0 GKAARO COc1cc(-c2cccnc2)cc2c1OCC[N@H+](C/C(C)=C/c1ccccc1)C2 ZINC000014880172 221317030 /nfs/dbraw/zinc/31/70/30/221317030.db2.gz CDADRYALVDPDQZ-CPNJWEJPSA-N 1 0 386.495 5.055 50 0 GKAARO Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000014882700 221317727 /nfs/dbraw/zinc/31/77/27/221317727.db2.gz AJQUHCRQQZGNIS-IBGZPJMESA-N 1 0 379.454 5.110 50 0 GKAARO CCC(CC)[NH+]1CCC(C(=O)Nc2cccc(-c3cccc(OC)c3)c2)CC1 ZINC000015079929 221332873 /nfs/dbraw/zinc/33/28/73/221332873.db2.gz URAXJTQHAGDONB-UHFFFAOYSA-N 1 0 380.532 5.201 50 0 GKAARO Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1 ZINC000015862320 221349790 /nfs/dbraw/zinc/34/97/90/221349790.db2.gz RPTRNNBUCZVKMA-UHFFFAOYSA-N 1 0 396.534 5.656 50 0 GKAARO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]C1CCCCC1 ZINC000016449940 221363133 /nfs/dbraw/zinc/36/31/33/221363133.db2.gz QHVTXPUGVJLZDP-UHFFFAOYSA-N 1 0 392.312 5.590 50 0 GKAARO Clc1ccc(COc2ccccc2C[NH2+]Cc2cccs2)c(Cl)c1 ZINC000016449788 221363602 /nfs/dbraw/zinc/36/36/02/221363602.db2.gz UKQROQLSTQTGSR-UHFFFAOYSA-N 1 0 378.324 5.924 50 0 GKAARO O=C(Nc1cccc(C[NH2+]Cc2cccc(Cl)c2)c1)c1ccccc1Cl ZINC000017310533 221383349 /nfs/dbraw/zinc/38/33/49/221383349.db2.gz HGYHCOUSMNTKIP-UHFFFAOYSA-N 1 0 385.294 5.536 50 0 GKAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)c3ccc(Cl)cc3)c2)cc1 ZINC000017315161 221383654 /nfs/dbraw/zinc/38/36/54/221383654.db2.gz ITONOQKRIJLNAA-KRWDZBQOSA-N 1 0 378.903 5.752 50 0 GKAARO c1ccc(C[NH+](Cc2ccccc2)Cn2c3ccccc3c3ccccc32)cc1 ZINC000019791118 221454133 /nfs/dbraw/zinc/45/41/33/221454133.db2.gz UASZOYKBIBQHHT-UHFFFAOYSA-N 1 0 376.503 6.454 50 0 GKAARO Cc1scc(C[NH+]2CCN(c3ccccc3F)CC2)c1-c1ccc(C)cc1 ZINC000057992742 136154251 /nfs/dbraw/zinc/15/42/51/136154251.db2.gz WJLGIURJNOXENI-UHFFFAOYSA-N 1 0 380.532 5.493 50 0 GKAARO Cc1cc(C[N@@H+]2CCCC23CCN(c2ccc4ncccc4c2)CC3)oc1C ZINC000072475131 136171344 /nfs/dbraw/zinc/17/13/44/136171344.db2.gz JENFBKCZNCSBNX-UHFFFAOYSA-N 1 0 375.516 5.080 50 0 GKAARO COc1ccccc1NC(=O)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000048366188 221991314 /nfs/dbraw/zinc/99/13/14/221991314.db2.gz IFUBLPSMENFGAJ-UHFFFAOYSA-N 1 0 398.506 5.116 50 0 GKAARO CCc1ccc2c(C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)cc(=O)oc2c1 ZINC000058342862 222049311 /nfs/dbraw/zinc/04/93/11/222049311.db2.gz NCMWXFUNBCACJX-UHFFFAOYSA-N 1 0 375.390 5.006 50 0 GKAARO Cc1cc2oc(=O)cc(C[NH+](Cc3ccccc3)Cc3ccccc3)c2cc1C ZINC000058448495 222053707 /nfs/dbraw/zinc/05/37/07/222053707.db2.gz LLVQAMBAQPGUDA-UHFFFAOYSA-N 1 0 383.491 5.612 50 0 GKAARO CCc1ccc(-c2nc3ccccn3c2C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000063666735 222067376 /nfs/dbraw/zinc/06/73/76/222067376.db2.gz WMHIICDIBPUSSI-UHFFFAOYSA-N 1 0 375.903 5.507 50 0 GKAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000065365882 222124784 /nfs/dbraw/zinc/12/47/84/222124784.db2.gz QVPFNRUSJCALRT-UHFFFAOYSA-N 1 0 386.495 5.079 50 0 GKAARO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000067871717 222165039 /nfs/dbraw/zinc/16/50/39/222165039.db2.gz XKJBQWRPRBZNAO-LJQANCHMSA-N 1 0 395.934 5.686 50 0 GKAARO Cc1cc(C[NH3+])cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000071331761 222182098 /nfs/dbraw/zinc/18/20/98/222182098.db2.gz QWJOPXDAQCDRRM-UHFFFAOYSA-N 1 0 389.282 5.581 50 0 in-vitro GKAARO CC(=O)c1cc(C[N@@H+]2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)n(C)c1 ZINC000071681356 222188429 /nfs/dbraw/zinc/18/84/29/222188429.db2.gz UMUHCQIZFLPQLS-QGZVFWFLSA-N 1 0 392.465 5.091 50 0 GKAARO Cc1cccc2cc(C[N@@H+]3CCC[C@H]3c3ccccn3)c(-c3cccs3)nc12 ZINC000072430573 222259741 /nfs/dbraw/zinc/25/97/41/222259741.db2.gz IRVXWPYQTNHSGF-NRFANRHFSA-N 1 0 385.536 6.004 50 0 GKAARO CC[NH+](CC)[C@H](C(=O)Nc1ccc(F)cc1C)c1cccc(C(F)(F)F)c1 ZINC000084771146 222321648 /nfs/dbraw/zinc/32/16/48/222321648.db2.gz RSQFCCPMEUASPS-SFHVURJKSA-N 1 0 382.401 5.175 50 0 GKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH2+]C(C)C)cc(=O)oc2c1C ZINC000096115852 222383150 /nfs/dbraw/zinc/38/31/50/222383150.db2.gz LFPIBJQTADLQIL-UHFFFAOYSA-N 1 0 376.456 5.024 50 0 biogenic GKAARO Cc1cccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000096236629 222401126 /nfs/dbraw/zinc/40/11/26/222401126.db2.gz QGYWTGZWCAOYTI-BJKOFHAPSA-N 1 0 384.523 5.239 50 0 GKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](CC(C)C)c1c[nH]c2ccccc21 ZINC000097954622 222451473 /nfs/dbraw/zinc/45/14/73/222451473.db2.gz RQVCIEZGRPJWLG-VQTJNVASSA-N 1 0 385.596 5.314 50 0 GKAARO CC(C)=CCC[C@H](C)C[NH+]1CCC(n2nccc2NC(=O)C2CCCC2)CC1 ZINC000012763007 519422900 /nfs/dbraw/zinc/42/29/00/519422900.db2.gz PQQSODSHSPUXBC-IBGZPJMESA-N 1 0 386.584 5.031 50 0 GKAARO CSc1ncc(C[NH2+][C@H](C)c2ccc(C)cc2)c(N(C)C2CCCCC2)n1 ZINC000022625308 570215531 /nfs/dbraw/zinc/21/55/31/570215531.db2.gz UEGFCTMOGXVENR-QGZVFWFLSA-N 1 0 384.593 5.127 50 0 GKAARO C[C@H](c1cc(Cl)ccc1Sc1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000019802192 570220625 /nfs/dbraw/zinc/22/06/25/570220625.db2.gz QWTRVSNKAYGDCK-CQSZACIVSA-N 1 0 381.372 5.453 50 0 GKAARO COc1cc2c(cc1OC)C1(CCCCC1)C[N@H+](CCCc1ccccc1)C2 ZINC000000755137 570222445 /nfs/dbraw/zinc/22/24/45/570222445.db2.gz BHSKJTRDRSIRGF-UHFFFAOYSA-N 1 0 379.544 5.354 50 0 GKAARO CCOc1ccc(-c2ccc(C(=O)N[C@H](C)CCC[NH+](CC)CC)s2)cc1 ZINC000022626260 570223619 /nfs/dbraw/zinc/22/36/19/570223619.db2.gz QBWFARIJXXBXFZ-QGZVFWFLSA-N 1 0 388.577 5.054 50 0 GKAARO Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CC[NH2+]Cc1ccc(Cl)cc1 ZINC000019848692 570225165 /nfs/dbraw/zinc/22/51/65/570225165.db2.gz OMNBIEFISJHBDJ-UHFFFAOYSA-N 1 0 382.813 5.361 50 0 GKAARO Cc1cccc(C[N@H+](C)CCO[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000085406285 570225702 /nfs/dbraw/zinc/22/57/02/570225702.db2.gz ORPXSOIWLSNRCR-DEOSSOPVSA-N 1 0 379.931 5.886 50 0 GKAARO Cc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000019879112 570227178 /nfs/dbraw/zinc/22/71/78/570227178.db2.gz HQROCMGLMHNGDK-MHZLTWQESA-N 1 0 397.542 5.312 50 0 GKAARO c1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000019889243 570227843 /nfs/dbraw/zinc/22/78/43/570227843.db2.gz KIBCXFHHZDMDON-SVBPBHIXSA-N 1 0 395.571 7.051 50 0 GKAARO c1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000019889249 570228074 /nfs/dbraw/zinc/22/80/74/570228074.db2.gz KIBCXFHHZDMDON-RRPNLBNLSA-N 1 0 395.571 7.051 50 0 GKAARO CCc1cccc(C)c1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019897182 570228498 /nfs/dbraw/zinc/22/84/98/570228498.db2.gz SHOJTIXYLTWTNM-UHFFFAOYSA-N 1 0 384.523 5.368 50 0 GKAARO CC1CC[NH+](CC(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)CC1 ZINC000000985228 570233402 /nfs/dbraw/zinc/23/34/02/570233402.db2.gz JXLFFAAQUYVVSV-SANMLTNESA-N 1 0 390.571 5.240 50 0 GKAARO CC(C)(C)[C@H]([NH2+]Cn1nc(-c2cccnc2)n(C2CC2)c1=S)c1cccs1 ZINC000048340497 570239024 /nfs/dbraw/zinc/23/90/24/570239024.db2.gz XLYRBBBBPXQOFB-QGZVFWFLSA-N 1 0 399.589 5.207 50 0 GKAARO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1C(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000006087001 570240335 /nfs/dbraw/zinc/24/03/35/570240335.db2.gz CHBMGSJSWVVCFL-ROKAVCLGSA-N 1 0 385.592 5.134 50 0 GKAARO CCOc1cccc(-c2cccc(-c3nc(C[N@H+](C)CC(C)C)cs3)c2)c1 ZINC000023317961 570241874 /nfs/dbraw/zinc/24/18/74/570241874.db2.gz QRFIOSWCWCLNOS-UHFFFAOYSA-N 1 0 380.557 5.964 50 0 GKAARO Cc1ccc(-c2cn3c([n+]2-c2ccc(Br)cc2)CCCCC3)cc1 ZINC000001498009 570246021 /nfs/dbraw/zinc/24/60/21/570246021.db2.gz OCURDZSTYXHYQX-UHFFFAOYSA-N 1 0 382.325 5.229 50 0 GKAARO C[NH+](C)CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000102924179 570249643 /nfs/dbraw/zinc/24/96/43/570249643.db2.gz PMGFTIDUJNLRSY-PMHJDTQVSA-N 1 0 397.603 5.613 50 0 GKAARO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000001179395 570254668 /nfs/dbraw/zinc/25/46/68/570254668.db2.gz YNWQUVPMWVHMNO-UHFFFAOYSA-N 1 0 392.930 5.022 50 0 GKAARO COc1ccc(F)c(-c2nc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)c(C)o2)c1 ZINC000020534571 570265721 /nfs/dbraw/zinc/26/57/21/570265721.db2.gz MWYHHZQJYKGZMG-GOSISDBHSA-N 1 0 380.463 5.177 50 0 GKAARO CC(C)(C)c1cc([C@H](c2ccccn2)[NH+]2CCCCC2)cc(C(C)(C)C)c1O ZINC000001802398 570268745 /nfs/dbraw/zinc/26/87/45/570268745.db2.gz RDUMNAIGJYWYQG-JOCHJYFZSA-N 1 0 380.576 5.958 50 0 GKAARO Fc1ccccc1C[NH+]1CCC(c2cc(-c3cccc4ccccc43)n[nH]2)CC1 ZINC000005762760 570275933 /nfs/dbraw/zinc/27/59/33/570275933.db2.gz HCTJWVRBOHMTDG-UHFFFAOYSA-N 1 0 385.486 5.749 50 0 GKAARO c1ccc(C[N@@H+]2CCCn3c4ccc(C5CCCCC5)cc4c4c3[C@H]2CCC4)cc1 ZINC000002179588 570277367 /nfs/dbraw/zinc/27/73/67/570277367.db2.gz BOMULZWGJODZMX-HHHXNRCGSA-N 1 0 398.594 6.972 50 0 GKAARO CCn1c2ccccc2c2cc(CN3CCC([NH+]4CCCCCC4)CC3)ccc21 ZINC000002322108 570282502 /nfs/dbraw/zinc/28/25/02/570282502.db2.gz WMWPBEDQVMRHLO-UHFFFAOYSA-N 1 0 389.587 5.655 50 0 GKAARO C[C@H]1CSc2n1cc(-c1ccc(Cl)cc1)[n+]2-c1cccc(C(F)(F)F)c1 ZINC000002597800 570291861 /nfs/dbraw/zinc/29/18/61/570291861.db2.gz XTOOLRQNFKNPMY-LBPRGKRZSA-N 1 0 395.857 5.771 50 0 GKAARO C[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000012915389 570292655 /nfs/dbraw/zinc/29/26/55/570292655.db2.gz KHIVLOKLTVAYNO-MRXNPFEDSA-N 1 0 398.428 5.809 50 0 GKAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 ZINC000012918802 570293380 /nfs/dbraw/zinc/29/33/80/570293380.db2.gz VXDCRVJCAPDWCZ-ZJUUUORDSA-N 1 0 376.831 5.098 50 0 GKAARO CCn1c2ccccc2c2cc(C[NH2+]CCc3ccc(OC)c(OC)c3)ccc21 ZINC000002770600 570300334 /nfs/dbraw/zinc/30/03/34/570300334.db2.gz JEZNITQBLUVHEL-UHFFFAOYSA-N 1 0 388.511 5.164 50 0 GKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)CC(C)C)c3ccc(F)cc3)CC2)cc1C ZINC000034683544 570301503 /nfs/dbraw/zinc/30/15/03/570301503.db2.gz WRZUDLUMAQKXHE-UHFFFAOYSA-N 1 0 396.550 5.486 50 0 GKAARO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](C1CCC(C)CC1)CC2 ZINC000022023275 570302131 /nfs/dbraw/zinc/30/21/31/570302131.db2.gz MHNDOIQKQODLFA-XWKHCGOCSA-N 1 0 399.962 5.883 50 0 GKAARO C[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000106674286 570307086 /nfs/dbraw/zinc/30/70/86/570307086.db2.gz NOQYIASRNSNDSL-OTWHNJEPSA-N 1 0 387.608 6.090 50 0 GKAARO CC1(C)CC(NC(=S)Nc2ccc(Nc3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000002841037 570307117 /nfs/dbraw/zinc/30/71/17/570307117.db2.gz KGFBDBKRBOHNFL-UHFFFAOYSA-N 1 0 382.577 5.026 50 0 GKAARO Fc1ccc([C@H](c2ccccc2)N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454868 570317230 /nfs/dbraw/zinc/31/72/30/570317230.db2.gz XXHZCEFLKKELQZ-SANMLTNESA-N 1 0 399.513 5.214 50 0 GKAARO Clc1ccc(-c2ccc(CN3CC[N@@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)o2)cc1 ZINC000022587871 570322300 /nfs/dbraw/zinc/32/23/00/570322300.db2.gz WQNYQIKLPXBRNE-VWNXMTODSA-N 1 0 398.978 5.829 50 0 GKAARO OCCCNC(=[NH+]c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 ZINC000003073899 570327619 /nfs/dbraw/zinc/32/76/19/570327619.db2.gz SOTLVGQCTAICOY-UHFFFAOYSA-N 1 0 378.903 5.141 50 0 GKAARO CC(C)[C@H]1C[C@](CC[NH2+]Cc2cccs2)(c2ccccc2)C[C@@H](C(C)C)O1 ZINC000524735248 570329758 /nfs/dbraw/zinc/32/97/58/570329758.db2.gz LAEDHKVXXQSZEW-UBRQYEGLSA-N 1 0 385.617 6.025 50 0 GKAARO [NH3+]CCS[C@]12CCCC[C@H]1[C@@H](c1ccccc1)C=C(c1ccccc1)S2 ZINC000003205167 570332419 /nfs/dbraw/zinc/33/24/19/570332419.db2.gz LABKZFATWSYIPM-GIWBLDEGSA-N 1 0 381.610 6.137 50 0 GKAARO Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C(C)C)CC2)c1 ZINC000004908102 570361808 /nfs/dbraw/zinc/36/18/08/570361808.db2.gz DLEVSWDTWFHFOZ-HSZRJFAPSA-N 1 0 389.543 5.047 50 0 GKAARO CC1CC[NH+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000004309414 570367214 /nfs/dbraw/zinc/36/72/14/570367214.db2.gz RILSXAOQULQQMZ-QGZVFWFLSA-N 1 0 391.342 5.194 50 0 GKAARO CC(C)(C)c1cc2ncnc(NC3CC[NH+](Cc4ccccc4)CC3)c2s1 ZINC000004324162 570367909 /nfs/dbraw/zinc/36/79/09/570367909.db2.gz IKZMIJXXDQAPFB-UHFFFAOYSA-N 1 0 380.561 5.065 50 0 GKAARO CCC1=Nc2cc(C(=O)NCCC[NH+](CC)CC)ccc2Sc2ccccc21 ZINC000004929391 570371510 /nfs/dbraw/zinc/37/15/10/570371510.db2.gz PUMBGZRDAGCCFV-UHFFFAOYSA-N 1 0 395.572 5.144 50 0 GKAARO CCCC1=Nc2cc(C(=O)NCC[NH+](CC)CC)ccc2Sc2ccccc21 ZINC000004929604 570371627 /nfs/dbraw/zinc/37/16/27/570371627.db2.gz ZHFZEDDLQYLLQX-UHFFFAOYSA-N 1 0 395.572 5.144 50 0 GKAARO C(C[NH+](CCOC1CCCCC1)CCOC1CCCCC1)OC1CCCCC1 ZINC000004401480 570373572 /nfs/dbraw/zinc/37/35/72/570373572.db2.gz VLOHFUHSNQIDGX-UHFFFAOYSA-N 1 0 395.628 5.336 50 0 GKAARO CCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccccc1Cl ZINC000004413519 570374270 /nfs/dbraw/zinc/37/42/70/570374270.db2.gz NMXZLHUKVAWSHI-UHFFFAOYSA-N 1 0 382.891 5.003 50 0 GKAARO c1c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)noc1-c1ccccc1 ZINC000023935600 570375506 /nfs/dbraw/zinc/37/55/06/570375506.db2.gz QPMJTPHRAYCUPE-QGZVFWFLSA-N 1 0 375.497 5.331 50 0 GKAARO Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)o2)c1 ZINC000023956044 570375870 /nfs/dbraw/zinc/37/58/70/570375870.db2.gz ANZJQMCOBFNTPX-KRWDZBQOSA-N 1 0 390.512 5.034 50 0 GKAARO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000024602054 570387419 /nfs/dbraw/zinc/38/74/19/570387419.db2.gz WCZLSJAHCSLLKF-QGZVFWFLSA-N 1 0 390.512 5.034 50 0 GKAARO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000024602056 570387463 /nfs/dbraw/zinc/38/74/63/570387463.db2.gz WCZLSJAHCSLLKF-KRWDZBQOSA-N 1 0 390.512 5.034 50 0 GKAARO COc1ccc([C@H](C)[N@H+](C)CCC(c2ccccc2)c2ccccc2)cc1OC ZINC000004728950 570398409 /nfs/dbraw/zinc/39/84/09/570398409.db2.gz DQDBEVIQIOCIFE-FQEVSTJZSA-N 1 0 389.539 5.919 50 0 GKAARO CC1(C)CC(NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC(C)(C)[NH2+]1 ZINC000004747660 570402127 /nfs/dbraw/zinc/40/21/27/570402127.db2.gz CUYBPDXPQYEAIB-UHFFFAOYSA-N 1 0 385.360 5.247 50 0 GKAARO COc1cc(C[NH2+][C@H]2CCCc3ccccc32)ccc1OCc1c(C)noc1C ZINC000025259816 570409652 /nfs/dbraw/zinc/40/96/52/570409652.db2.gz BAEGVDMYYOPHDS-QFIPXVFZSA-N 1 0 392.499 5.046 50 0 GKAARO CCCC[N@H+](CCCNC(=O)c1csc2c1CC[C@@H](C)C2)Cc1ccccc1 ZINC000005070276 570411172 /nfs/dbraw/zinc/41/11/72/570411172.db2.gz CPPNONULSSGUSW-LJQANCHMSA-N 1 0 398.616 5.295 50 0 GKAARO Clc1ccc([C@@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025426276 570413642 /nfs/dbraw/zinc/41/36/42/570413642.db2.gz SJUNBXNHZLULCE-AVRDEDQJSA-N 1 0 393.317 6.299 50 0 GKAARO CC(C)(C)c1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000514251354 570416338 /nfs/dbraw/zinc/41/63/38/570416338.db2.gz OELOQGLQVOOVCP-UHFFFAOYSA-N 1 0 398.594 5.891 50 0 GKAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006455149 570426101 /nfs/dbraw/zinc/42/61/01/570426101.db2.gz LZQFQOVIWCMKSK-BJSKQTLOSA-N 1 0 397.603 5.157 50 0 GKAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC000005151790 570428733 /nfs/dbraw/zinc/42/87/33/570428733.db2.gz BYWHFODVRVSDOY-WWNPGLIZSA-N 1 0 385.935 5.217 50 0 GKAARO Fc1ccc(-c2nc(C[N@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)co2)cc1 ZINC000027237307 570432657 /nfs/dbraw/zinc/43/26/57/570432657.db2.gz YVDVYPQGBPVUMH-UHFFFAOYSA-N 1 0 394.446 5.154 50 0 GKAARO CC1(C)C[C@@](CC[NH2+]Cc2cccnc2)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000027579182 570435897 /nfs/dbraw/zinc/43/58/97/570435897.db2.gz ZHUSRMQRLDPELK-NRFANRHFSA-N 1 0 392.465 5.107 50 0 GKAARO CC1CC[NH+]([C@H](CNC(=O)c2occc2-c2ccccc2)c2cccs2)CC1 ZINC000027575819 570435899 /nfs/dbraw/zinc/43/58/99/570435899.db2.gz AMIVRJVKDNFNFD-HXUWFJFHSA-N 1 0 394.540 5.211 50 0 GKAARO Cc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027580439 570436308 /nfs/dbraw/zinc/43/63/08/570436308.db2.gz XKUHVXPOTFRIPB-SFHVURJKSA-N 1 0 396.556 5.377 50 0 GKAARO CC(C)Oc1ccc(C[NH2+]CC[C@H](c2ccc(OC(C)C)cc2)C(C)C)cc1 ZINC000001824152 570436604 /nfs/dbraw/zinc/43/66/04/570436604.db2.gz YKNVJFLNMDKNQM-VWLOTQADSA-N 1 0 383.576 6.181 50 0 GKAARO CC[N@H+](CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000100743197 570437976 /nfs/dbraw/zinc/43/79/76/570437976.db2.gz YKCUWIVBCFMJNZ-ZCYQVOJMSA-N 1 0 395.587 5.896 50 0 biogenic GKAARO Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027664680 570439701 /nfs/dbraw/zinc/43/97/01/570439701.db2.gz CPSUEORYVMXJHW-NRFANRHFSA-N 1 0 376.500 5.007 50 0 GKAARO CCc1ccc(-c2cn3c([n+]2-c2ccc(-c4ccccc4)cc2)CCCCC3)cc1 ZINC000005569378 570446783 /nfs/dbraw/zinc/44/67/83/570446783.db2.gz BJBRCTQUMQRRBA-UHFFFAOYSA-N 1 0 393.554 6.388 50 0 GKAARO Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028291261 570456112 /nfs/dbraw/zinc/45/61/12/570456112.db2.gz OXMKHNFFTXJHDU-OAQYLSRUSA-N 1 0 392.543 5.380 50 0 GKAARO Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028291259 570456144 /nfs/dbraw/zinc/45/61/44/570456144.db2.gz OXMKHNFFTXJHDU-NRFANRHFSA-N 1 0 392.543 5.380 50 0 GKAARO Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000028293597 570457182 /nfs/dbraw/zinc/45/71/82/570457182.db2.gz WPEQMQSKWGIJPC-IBGZPJMESA-N 1 0 396.556 5.458 50 0 GKAARO Cc1c(C)n(C[C@H](O)C[NH+](C2CCCCC2)C2CCCCC2)c2ccc(C)cc12 ZINC000028297123 570457548 /nfs/dbraw/zinc/45/75/48/570457548.db2.gz ZOVVJHOAXYJJIG-DEOSSOPVSA-N 1 0 396.619 5.895 50 0 GKAARO CCc1ccc2oc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCCC3)c(C)c2c1 ZINC000028403261 570459011 /nfs/dbraw/zinc/45/90/11/570459011.db2.gz WNOLJQRQMRYHPF-IBGZPJMESA-N 1 0 396.556 5.322 50 0 GKAARO CC(C)(C)c1ccc(C[N@H+](Cc2cccn2Cc2ccc(F)cc2)C2CC2)cc1 ZINC000035843756 570463709 /nfs/dbraw/zinc/46/37/09/570463709.db2.gz OBLVHYPSHBPMLZ-UHFFFAOYSA-N 1 0 390.546 6.138 50 0 GKAARO COc1cccc(Cn2cccc2C[N@H+](Cc2cccc(F)c2)[C@H](C)C(C)C)c1 ZINC000035841131 570463747 /nfs/dbraw/zinc/46/37/47/570463747.db2.gz RJUWEINDXJCZCM-HXUWFJFHSA-N 1 0 394.534 5.731 50 0 GKAARO CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1F ZINC000035841238 570463809 /nfs/dbraw/zinc/46/38/09/570463809.db2.gz MVPQKHJDIQXJJS-LJQANCHMSA-N 1 0 382.498 5.861 50 0 GKAARO Cc1cccc(C[N@H+](CCC(C)C)Cc2cccn2Cc2ccc(F)cc2)c1 ZINC000035843760 570463896 /nfs/dbraw/zinc/46/38/96/570463896.db2.gz GBDZVIZLEKQVOD-UHFFFAOYSA-N 1 0 378.535 6.032 50 0 GKAARO CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000035843770 570464339 /nfs/dbraw/zinc/46/43/39/570464339.db2.gz AHYISSHOCDSJBD-IBGZPJMESA-N 1 0 398.953 6.376 50 0 GKAARO Clc1ccc(OCCCCCC[NH2+]Cc2ccco2)c(Br)c1 ZINC000006527055 570465854 /nfs/dbraw/zinc/46/58/54/570465854.db2.gz JBJQDYURFTWJJE-UHFFFAOYSA-N 1 0 386.717 5.425 50 0 GKAARO C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925552 570466964 /nfs/dbraw/zinc/46/69/64/570466964.db2.gz HCOMTPYTVODMFE-OAHLLOKOSA-N 1 0 378.447 5.285 50 0 GKAARO c1ccc(C[NH+]2CCC(Nc3nc(-c4ccccc4)nc4ccccc43)CC2)cc1 ZINC000006529782 570467096 /nfs/dbraw/zinc/46/70/96/570467096.db2.gz YPLQRLFGAHJJMA-UHFFFAOYSA-N 1 0 394.522 5.373 50 0 GKAARO Brc1ccc(-c2c[n+]3c4n2CCCCC4=C(c2ccccc2)C3)cc1 ZINC000006549883 570473028 /nfs/dbraw/zinc/47/30/28/570473028.db2.gz NYBBDHPOUHFMMS-UHFFFAOYSA-N 1 0 392.320 5.313 50 0 GKAARO COc1ccc2[nH+]c(C)cc(N3CCC[C@@H]3c3nc4ccccc4s3)c2c1 ZINC000006558770 570477330 /nfs/dbraw/zinc/47/73/30/570477330.db2.gz DVXRUHDGQZVFTR-LJQANCHMSA-N 1 0 375.497 5.503 50 0 GKAARO CC(C)(C)c1ncc(C[NH2+]C[C@](C)(O)C(c2ccccc2)c2ccccc2)s1 ZINC000072289919 570482963 /nfs/dbraw/zinc/48/29/63/570482963.db2.gz AVSSRUPUTHGFGG-DEOSSOPVSA-N 1 0 394.584 5.113 50 0 GKAARO C[NH+](C)Cc1cccc([C@@H](O)[C@@H]2c3ccccc3CSc3ccccc32)c1 ZINC000006637813 570485881 /nfs/dbraw/zinc/48/58/81/570485881.db2.gz SPLBTLHSWXXNDH-DNQXCXABSA-N 1 0 375.537 5.219 50 0 GKAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1sc2ccccc2c1Cl ZINC000030555819 570491321 /nfs/dbraw/zinc/49/13/21/570491321.db2.gz QHEXQUYBSDHDJM-UHFFFAOYSA-N 1 0 384.932 5.081 50 0 GKAARO C[NH+]1CCC([C@@H]2Sc3ccccc3Oc3ccc(C(F)(F)F)cc32)CC1 ZINC000033885029 570491692 /nfs/dbraw/zinc/49/16/92/570491692.db2.gz DIHFQNZHVKVWQZ-IBGZPJMESA-N 1 0 379.447 5.986 50 0 GKAARO CC(C)(C)c1cc([C@H](c2cccs2)[NH+]2CCCCC2)cc(C(C)(C)C)c1O ZINC000002667834 570504320 /nfs/dbraw/zinc/50/43/20/570504320.db2.gz KKRCTRJEUCMAHD-OAQYLSRUSA-N 1 0 385.617 6.624 50 0 GKAARO CCCc1ccc(OCCCC[N@@H+]2CCCC[C@H]2c2cccnc2)c(OC)c1 ZINC000006624473 570508557 /nfs/dbraw/zinc/50/85/57/570508557.db2.gz QROSJJZDPVLDOR-QFIPXVFZSA-N 1 0 382.548 5.429 50 0 biogenic GKAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)c(OC)c1OC ZINC000033087126 570519663 /nfs/dbraw/zinc/51/96/63/570519663.db2.gz HRERUZFXZLCRMU-LJQANCHMSA-N 1 0 389.923 5.483 50 0 GKAARO CC1(C)C[C@@H]([C@H](CC[NH2+]Cc2ccccn2)Cc2ccccc2Cl)CCO1 ZINC000006672237 570528896 /nfs/dbraw/zinc/52/88/96/570528896.db2.gz ARWBNFIEFGHIQY-QUCCMNQESA-N 1 0 386.967 5.279 50 0 GKAARO CC1(C)C[C@H]([C@H](CC[NH2+]Cc2ccccn2)Cc2ccccc2Cl)CCO1 ZINC000006672235 570529156 /nfs/dbraw/zinc/52/91/56/570529156.db2.gz ARWBNFIEFGHIQY-UYAOXDASSA-N 1 0 386.967 5.279 50 0 GKAARO Cc1c(C)n(-c2cccc(Cl)c2)c2ncnc(NCc3cccc(C)c3)c12 ZINC000032960526 570529282 /nfs/dbraw/zinc/52/92/82/570529282.db2.gz ZKKMRZVSUMPGKF-UHFFFAOYSA-N 1 0 376.891 5.611 50 0 GKAARO CC1(C)C[C@H]([C@H](CC[NH2+]Cc2cccnc2)Cc2ccccc2Cl)CCO1 ZINC000006673717 570529372 /nfs/dbraw/zinc/52/93/72/570529372.db2.gz STVWFWWVHLSYSO-TZIWHRDSSA-N 1 0 386.967 5.279 50 0 GKAARO C[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000034896597 570547239 /nfs/dbraw/zinc/54/72/39/570547239.db2.gz XLHQGNYHSBLDPS-LIRRHRJNSA-N 1 0 377.315 5.405 50 0 GKAARO O[C@@H](C[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21)c1ccccc1 ZINC000009225037 570552584 /nfs/dbraw/zinc/55/25/84/570552584.db2.gz SSIYPAHHMJMQFK-VWLOTQADSA-N 1 0 383.491 5.242 50 0 GKAARO CCCCCOc1ccc([C@@](C)(O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006727326 570554106 /nfs/dbraw/zinc/55/41/06/570554106.db2.gz ADRMJWHNHVJYJJ-IZZNHLLZSA-N 1 0 395.587 5.733 50 0 GKAARO C[NH+](C)[C@H](CNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1cccs1 ZINC000032970919 570555341 /nfs/dbraw/zinc/55/53/41/570555341.db2.gz JASVISNSBPMERP-TZIWHRDSSA-N 1 0 396.581 5.001 50 0 GKAARO CCCC(O)(CCC)c1ccc(C[N@H+](Cc2ccccc2OC)[C@H](C)CC)o1 ZINC000036167796 570556774 /nfs/dbraw/zinc/55/67/74/570556774.db2.gz OQQBJGNMJQGHQO-LJQANCHMSA-N 1 0 387.564 5.877 50 0 GKAARO CCC[N@H+](Cc1ccc(C(O)(C=C(C)C)C=C(C)C)o1)Cc1ccccc1OC ZINC000036167851 570556800 /nfs/dbraw/zinc/55/68/00/570556800.db2.gz NLOKVQKBNKRADE-UHFFFAOYSA-N 1 0 397.559 5.820 50 0 GKAARO COc1ccc([C@](O)(CC(C)C)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744268 570564213 /nfs/dbraw/zinc/56/42/13/570564213.db2.gz QXJVFCCWKJRIPI-JWQCQUIFSA-N 1 0 381.560 5.199 50 0 GKAARO COc1ccc2oc(=O)cc(C[N@H+](Cc3ccco3)[C@@H]3CCC[C@@H](C)[C@H]3C)c2c1 ZINC000006743183 570564539 /nfs/dbraw/zinc/56/45/39/570564539.db2.gz DUYKSUKMPDEBPO-DRSNIGMVSA-N 1 0 395.499 5.222 50 0 GKAARO C[N@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000006750540 570568606 /nfs/dbraw/zinc/56/86/06/570568606.db2.gz SSFLKXRPNNMCLR-UHFFFAOYSA-N 1 0 392.330 5.122 50 0 GKAARO Cc1ccc(C)c(-c2csc3[nH]c(C[N@@H+](C)C4CCCCC4)nc(=O)c23)c1 ZINC000036204153 570569076 /nfs/dbraw/zinc/56/90/76/570569076.db2.gz TWXKRZUJVBMMAN-UHFFFAOYSA-N 1 0 381.545 5.033 50 0 GKAARO COc1ccccc1[C@]1(CC[NH2+][C@@H](C)c2ccccc2)CCO[C@H](C(C)C)C1 ZINC000005390650 570582477 /nfs/dbraw/zinc/58/24/77/570582477.db2.gz GGDMXKFAUIDFMO-KSNOWIBYSA-N 1 0 381.560 5.509 50 0 GKAARO CCOc1ccc([C@@](O)(CC(C)C)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811660 570616092 /nfs/dbraw/zinc/61/60/92/570616092.db2.gz XDCNZAPXVYVKTL-RPBOFIJWSA-N 1 0 381.560 5.199 50 0 GKAARO CCCC[C@@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000006811656 570616255 /nfs/dbraw/zinc/61/62/55/570616255.db2.gz TTWIFHZUPZDBJZ-JWQCQUIFSA-N 1 0 381.560 5.343 50 0 GKAARO CSc1ccc2cc(C[NH2+]Cc3ccc(F)cc3)c(-c3cccs3)nc2c1 ZINC000012148756 570618188 /nfs/dbraw/zinc/61/81/88/570618188.db2.gz VWYPKKWUEFMLJH-UHFFFAOYSA-N 1 0 394.540 6.114 50 0 GKAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 ZINC000042628395 570621399 /nfs/dbraw/zinc/62/13/99/570621399.db2.gz HLCLZUHHNFVHNT-QGZVFWFLSA-N 1 0 397.469 5.133 50 0 GKAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000043022930 570624824 /nfs/dbraw/zinc/62/48/24/570624824.db2.gz OCZBVWSYHBTDIZ-SFHVURJKSA-N 1 0 397.469 5.133 50 0 GKAARO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000036347537 570629657 /nfs/dbraw/zinc/62/96/57/570629657.db2.gz RESCSQZEAVTRSH-XMMPIXPASA-N 1 0 378.947 6.260 50 0 GKAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(OC)cc2OC)cc1 ZINC000036348070 570630801 /nfs/dbraw/zinc/63/08/01/570630801.db2.gz CEMQEHJBQCWLLS-VWLOTQADSA-N 1 0 390.527 5.063 50 0 GKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)c(OC)c1 ZINC000036348130 570631066 /nfs/dbraw/zinc/63/10/66/570631066.db2.gz CIKUZHALCDIHGG-VWLOTQADSA-N 1 0 390.527 5.117 50 0 GKAARO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)C)cc2)cc1O ZINC000036348745 570631112 /nfs/dbraw/zinc/63/11/12/570631112.db2.gz BFHWLBGYRBCKBG-RUZDIDTESA-N 1 0 390.527 5.321 50 0 GKAARO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000045221522 570646515 /nfs/dbraw/zinc/64/65/15/570646515.db2.gz NOQYIASRNSNDSL-CEXWTWQISA-N 1 0 387.608 6.090 50 0 GKAARO COc1ccc(C[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)cc1 ZINC000006871535 570664016 /nfs/dbraw/zinc/66/40/16/570664016.db2.gz RJQRRMAVVYKPEW-XMMPIXPASA-N 1 0 399.538 5.164 50 0 GKAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000012449985 570668242 /nfs/dbraw/zinc/66/82/42/570668242.db2.gz HQYWXMMMOIOFQI-UHFFFAOYSA-N 1 0 394.902 5.086 50 0 GKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](CCC(C)C)C2)cc1 ZINC000012455535 570669126 /nfs/dbraw/zinc/66/91/26/570669126.db2.gz GHZMPHQBHAWFRM-HXUWFJFHSA-N 1 0 380.532 5.059 50 0 GKAARO CCC[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C[C@@H]1CCCO1 ZINC000012471663 570672672 /nfs/dbraw/zinc/67/26/72/570672672.db2.gz WINAOSPMDROWPX-KRWDZBQOSA-N 1 0 382.426 5.060 50 0 GKAARO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1Cc1cccc(F)c1 ZINC000013769852 570677204 /nfs/dbraw/zinc/67/72/04/570677204.db2.gz UCEGOWGVZLOCAE-GMKZXUHWSA-N 1 0 383.507 5.093 50 0 GKAARO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cccc(OC)c3)c(C)o2)cc1 ZINC000012573576 570681877 /nfs/dbraw/zinc/68/18/77/570681877.db2.gz YUPAMTGQBKYBNA-HSZRJFAPSA-N 1 0 392.499 5.394 50 0 GKAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H]([NH2+]Cc2ccc(O)c(Cl)c2)C1 ZINC000012576016 570682266 /nfs/dbraw/zinc/68/22/66/570682266.db2.gz MECPDPIYPBJETB-IBGZPJMESA-N 1 0 399.897 5.174 50 0 GKAARO O=C(Cc1cccc2ccccc21)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008863157 570683643 /nfs/dbraw/zinc/68/36/43/570683643.db2.gz MWUZPTKEYNTDEU-QHCPKHFHSA-N 1 0 392.568 5.177 50 0 GKAARO Cc1cccnc1[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000055133192 570684589 /nfs/dbraw/zinc/68/45/89/570684589.db2.gz BKFJCHUHTWDZBZ-SFHVURJKSA-N 1 0 386.474 5.233 50 0 GKAARO COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000015953824 570685362 /nfs/dbraw/zinc/68/53/62/570685362.db2.gz CSALCCKLWJOGTI-HIZRFUARSA-N 1 0 377.528 5.077 50 0 biogenic GKAARO Cc1cccc(N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)c1C ZINC000055292162 570690327 /nfs/dbraw/zinc/69/03/27/570690327.db2.gz VPVVMVADPHFNEW-UHFFFAOYSA-N 1 0 386.539 5.205 50 0 GKAARO Clc1cccc(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC000055292403 570690743 /nfs/dbraw/zinc/69/07/43/570690743.db2.gz KNDHXRQGLSJNES-UHFFFAOYSA-N 1 0 392.930 5.241 50 0 GKAARO Cc1cccc(N=P(N2CCCCC2)(N2CCCCC2)C(C)(C)C)c1C ZINC000005796334 570691124 /nfs/dbraw/zinc/69/11/24/570691124.db2.gz NPLWLPBJIWVYPK-UHFFFAOYSA-N 1 0 375.541 6.736 50 0 GKAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1)Nc1ccccc1F ZINC000012707759 570701033 /nfs/dbraw/zinc/70/10/33/570701033.db2.gz DPMDJYBCTJMZQD-KRWDZBQOSA-N 1 0 396.531 5.671 50 0 GKAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1)Nc1ccccc1F ZINC000012710572 570702105 /nfs/dbraw/zinc/70/21/05/570702105.db2.gz LTMDIRPJABLZRZ-KRWDZBQOSA-N 1 0 380.463 5.203 50 0 GKAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000012711737 570702711 /nfs/dbraw/zinc/70/27/11/570702711.db2.gz TUJQLMIDJXOYAJ-QGZVFWFLSA-N 1 0 382.426 5.060 50 0 GKAARO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1 ZINC000017315173 570703568 /nfs/dbraw/zinc/70/35/68/570703568.db2.gz DOMFHQNAJIZMHP-HNNXBMFYSA-N 1 0 399.321 6.097 50 0 GKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000017310448 570704019 /nfs/dbraw/zinc/70/40/19/570704019.db2.gz GZAOZIWQQGAUOS-NRFANRHFSA-N 1 0 396.538 5.104 50 0 GKAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000017318903 570704313 /nfs/dbraw/zinc/70/43/13/570704313.db2.gz QJDQQGCNFIMTTF-UHFFFAOYSA-N 1 0 375.447 5.178 50 0 GKAARO Fc1ccc(-c2noc([C@H]3CCC[N@H+](Cc4ccc(F)cc4Cl)C3)n2)cc1 ZINC000058159772 570712506 /nfs/dbraw/zinc/71/25/06/570712506.db2.gz ZOGQHDBNDLQAPA-HNNXBMFYSA-N 1 0 389.833 5.048 50 0 GKAARO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006940553 570713846 /nfs/dbraw/zinc/71/38/46/570713846.db2.gz MYMZZYMNEYVILS-DIFFPNOSSA-N 1 0 397.733 5.641 50 0 GKAARO CC(C)([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000058316897 570726843 /nfs/dbraw/zinc/72/68/43/570726843.db2.gz CSMWHRMIRNTSBT-UHFFFAOYSA-N 1 0 378.903 5.470 50 0 GKAARO c1ccc(Oc2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000164880575 570735702 /nfs/dbraw/zinc/73/57/02/570735702.db2.gz BKLFLFKZOAWDRS-UHFFFAOYSA-N 1 0 381.475 6.561 50 0 GKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccnc2)[NH+]2CCCCC2)c1C ZINC000000950063 570736177 /nfs/dbraw/zinc/73/61/77/570736177.db2.gz ICAJLZPIBIXQJA-FQEVSTJZSA-N 1 0 395.528 5.181 50 0 GKAARO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000012991593 570738585 /nfs/dbraw/zinc/73/85/85/570738585.db2.gz VEPJAGKAQYWCKQ-QHCPKHFHSA-N 1 0 394.559 5.376 50 0 GKAARO COc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)cc1 ZINC000004632342 570742507 /nfs/dbraw/zinc/74/25/07/570742507.db2.gz NUVZAKWWEQJCQI-UHFFFAOYSA-N 1 0 384.266 6.060 50 0 GKAARO CCC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000007262307 570757264 /nfs/dbraw/zinc/75/72/64/570757264.db2.gz MAOJZBADGXOQJX-UHFFFAOYSA-N 1 0 396.300 5.066 50 0 GKAARO C[NH+](C)CCOC(c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000007078405 570785219 /nfs/dbraw/zinc/78/52/19/570785219.db2.gz PLESHYJZQWDZII-UHFFFAOYSA-N 1 0 393.141 5.968 50 0 GKAARO CC(C)c1ccccc1NC(=O)CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000244898805 570786746 /nfs/dbraw/zinc/78/67/46/570786746.db2.gz ZBXZUUWKYKVXNO-UHFFFAOYSA-N 1 0 378.438 5.289 50 0 GKAARO Clc1ccc(-c2c[n+](Cc3ccccc3Cl)c3n2CCC3)cc1Cl ZINC000013768660 570787596 /nfs/dbraw/zinc/78/75/96/570787596.db2.gz AMAJRQISYCEGDR-UHFFFAOYSA-N 1 0 378.710 5.397 50 0 GKAARO Clc1ccc2scc(C[NH+](Cc3ccccc3)Cc3ccccc3)c2c1 ZINC000068677066 570801186 /nfs/dbraw/zinc/80/11/86/570801186.db2.gz RAJWHJZUVJSWSJ-UHFFFAOYSA-N 1 0 377.940 6.757 50 0 GKAARO CSc1cccc(NC(=S)N2CCC([N@H+](C)C3CCCCCC3)CC2)c1 ZINC000004668572 570813141 /nfs/dbraw/zinc/81/31/41/570813141.db2.gz UCUDIRVGYMEUFS-UHFFFAOYSA-N 1 0 391.650 5.224 50 0 GKAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1cccc(Cl)c1 ZINC000004678305 570824417 /nfs/dbraw/zinc/82/44/17/570824417.db2.gz LPZWYWRTCMHAGW-UHFFFAOYSA-N 1 0 376.685 5.115 50 0 GKAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(Oc4ccccc4)c3)n2C)cc1 ZINC000004678734 570824698 /nfs/dbraw/zinc/82/46/98/570824698.db2.gz JXMWGALCNATOLA-UHFFFAOYSA-N 1 0 399.494 5.890 50 0 GKAARO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccc(-c2ccccc2)cc1 ZINC000004678483 570824727 /nfs/dbraw/zinc/82/47/27/570824727.db2.gz YOHMXLGDPJLDIH-UHFFFAOYSA-N 1 0 383.451 5.095 50 0 GKAARO CCOc1ccc(-c2c[nH+]c(NCc3c(Cl)cccc3Cl)n2C)cc1 ZINC000004679307 570825491 /nfs/dbraw/zinc/82/54/91/570825491.db2.gz QFGCBMJKBQCBBL-UHFFFAOYSA-N 1 0 376.287 5.405 50 0 GKAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+][C@H](C)c1cccnc1 ZINC000012522505 570829042 /nfs/dbraw/zinc/82/90/42/570829042.db2.gz WMQJQDOQSVGHTJ-CYBMUJFWSA-N 1 0 389.330 5.101 50 0 GKAARO FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000065575501 570835510 /nfs/dbraw/zinc/83/55/10/570835510.db2.gz SRWAXOOQTOOUNU-MRXNPFEDSA-N 1 0 390.405 5.149 50 0 GKAARO Clc1ccc(CC[NH+](C/C=C/c2ccccc2)C/C=C/c2ccccc2)cc1 ZINC000004699224 570843710 /nfs/dbraw/zinc/84/37/10/570843710.db2.gz KXVQINXZGOFKNT-FNCQTZNRSA-N 1 0 387.954 6.611 50 0 GKAARO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000003332764 570857987 /nfs/dbraw/zinc/85/79/87/570857987.db2.gz LNWYFYUFVULNMQ-GOSISDBHSA-N 1 0 396.840 5.571 50 0 GKAARO CC[n+]1c(/C=C/C=C/C=C/N(C(C)=O)c2ccccc2)sc2ccccc21 ZINC000004713675 570858888 /nfs/dbraw/zinc/85/88/88/570858888.db2.gz LGFGTFFNZVXAAY-UHFFFAOYSA-N 1 0 375.517 5.345 50 0 GKAARO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012568047 570872012 /nfs/dbraw/zinc/87/20/12/570872012.db2.gz ZRMOYBFYPALLGV-DOTOQJQBSA-N 1 0 390.512 5.287 50 0 GKAARO CC(=O)c1cccc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)c1 ZINC000015061625 570874203 /nfs/dbraw/zinc/87/42/03/570874203.db2.gz DITIHUCFGROQBL-QFIPXVFZSA-N 1 0 391.490 5.017 50 0 GKAARO Clc1ccc(-c2cn3c4ccccc4nc3n2CC[NH2+]C2CCCCC2)cc1 ZINC000004725912 570877989 /nfs/dbraw/zinc/87/79/89/570877989.db2.gz VCQRQDWOGFCJGK-UHFFFAOYSA-N 1 0 392.934 5.532 50 0 GKAARO CCCC[C@@H](CC)C(=O)Nc1ccc2[nH]cc(CC[N@H+](CCC)CC3CC3)c2c1 ZINC000022347017 570887197 /nfs/dbraw/zinc/88/71/97/570887197.db2.gz YJQYFGCMEDLZCP-HXUWFJFHSA-N 1 0 397.607 5.987 50 0 GKAARO COc1ccc2oc(=O)cc(C[N@H+](Cc3ccco3)[C@@H]3CCC[C@H](C)[C@@H]3C)c2c1 ZINC000103686430 570888267 /nfs/dbraw/zinc/88/82/67/570888267.db2.gz DUYKSUKMPDEBPO-PNLZDCPESA-N 1 0 395.499 5.222 50 0 GKAARO Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000103881622 570889789 /nfs/dbraw/zinc/88/97/89/570889789.db2.gz PHYCUCVEVUETFF-VWLOTQADSA-N 1 0 392.493 5.680 50 0 GKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)cc2)(c2ccc(OC)cc2)CCO1 ZINC000004027671 570907495 /nfs/dbraw/zinc/90/74/95/570907495.db2.gz RZCWUQPCGKDIRD-LOSJGSFVSA-N 1 0 397.559 5.101 50 0 biogenic GKAARO FC(F)Sc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000015974042 570910300 /nfs/dbraw/zinc/91/03/00/570910300.db2.gz QAVJQPAZKQODIF-UHFFFAOYSA-N 1 0 377.867 5.346 50 0 GKAARO CC(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](C(C)C)C2 ZINC000023153865 570919982 /nfs/dbraw/zinc/91/99/82/570919982.db2.gz GHGZDIYNNPJPRP-UHFFFAOYSA-N 1 0 399.585 5.386 50 0 GKAARO Cc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CC[NH+](C(C)C)CC2)cc1 ZINC000051329994 570923611 /nfs/dbraw/zinc/92/36/11/570923611.db2.gz QRKHRSFRLGQSPJ-HSZRJFAPSA-N 1 0 389.543 5.047 50 0 GKAARO CC(C)Cc1ccc([C@@H](C)CNC(=[NH2+])[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000002075139 570932392 /nfs/dbraw/zinc/93/23/92/570932392.db2.gz YGJSQXJBKDORBO-LEWJYISDSA-N 1 0 378.604 6.558 50 0 biogenic GKAARO Brc1c(OCCCC[NH2+]Cc2ccccc2)ccc2ccccc21 ZINC000002823238 570933190 /nfs/dbraw/zinc/93/31/90/570933190.db2.gz DUMGUQXCIZQLQR-UHFFFAOYSA-N 1 0 384.317 5.551 50 0 GKAARO C[N@H+](CCOCCOc1cccc(Oc2ccccc2)c1)Cc1ccccc1 ZINC000002822040 570933195 /nfs/dbraw/zinc/93/31/95/570933195.db2.gz JFQVOHHXNBNTEE-UHFFFAOYSA-N 1 0 377.484 5.006 50 0 GKAARO FC(F)(F)[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000015443838 570947873 /nfs/dbraw/zinc/94/78/73/570947873.db2.gz CAJDEKFKGHLHPF-LJQANCHMSA-N 1 0 385.433 5.314 50 0 GKAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000032936757 570948558 /nfs/dbraw/zinc/94/85/58/570948558.db2.gz PQBBYIGUVHEWJD-CYBMUJFWSA-N 1 0 378.303 5.015 50 0 GKAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000032936759 570948866 /nfs/dbraw/zinc/94/88/66/570948866.db2.gz PQBBYIGUVHEWJD-ZDUSSCGKSA-N 1 0 378.303 5.015 50 0 GKAARO Clc1ccc(C[NH+]2CCC(Nc3ccc(Br)cc3)CC2)cc1 ZINC000004749415 570961488 /nfs/dbraw/zinc/96/14/88/570961488.db2.gz KKAHPNLGZXOUJF-UHFFFAOYSA-N 1 0 379.729 5.179 50 0 GKAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000107046293 570970286 /nfs/dbraw/zinc/97/02/86/570970286.db2.gz CJUOCLDYUCOARO-OXQOHEQNSA-N 1 0 394.515 5.120 50 0 GKAARO CCc1ccc(C[NH+]2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019359434 570979445 /nfs/dbraw/zinc/97/94/45/570979445.db2.gz JGVPCUPDBAURTN-UHFFFAOYSA-N 1 0 386.539 5.359 50 0 GKAARO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1Cc1ccccc1Cl ZINC000012880281 570980576 /nfs/dbraw/zinc/98/05/76/570980576.db2.gz CGAXGIVILAYNDK-FGCOXFRFSA-N 1 0 399.962 5.607 50 0 biogenic GKAARO Cc1nc2sc(C3=[NH+]C4(CCCC4)Cc4ccccc43)c(N)c2c(C)c1Cl ZINC000001425189 570999818 /nfs/dbraw/zinc/99/98/18/570999818.db2.gz GFRQYHOIOOCUNA-UHFFFAOYSA-N 1 0 395.959 5.855 50 0 GKAARO COc1ccc([C@H](CC[NH2+]Cc2ccc(OC(C)C)cc2)CCC(C)C)cc1 ZINC000005499888 571003290 /nfs/dbraw/zinc/00/32/90/571003290.db2.gz LICMJKRGLZLCSE-QHCPKHFHSA-N 1 0 383.576 6.182 50 0 GKAARO CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000004887785 571005234 /nfs/dbraw/zinc/00/52/34/571005234.db2.gz GZJPIRRWLBXFSZ-JWQCQUIFSA-N 1 0 381.560 5.857 50 0 GKAARO CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000004887782 571005267 /nfs/dbraw/zinc/00/52/67/571005267.db2.gz GZJPIRRWLBXFSZ-DQEYMECFSA-N 1 0 381.560 5.857 50 0 GKAARO C(=C/c1ccccc1)\CN1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000019608721 571021580 /nfs/dbraw/zinc/02/15/80/571021580.db2.gz OQQRFFHQTJABRC-RMKNXTFCSA-N 1 0 380.535 5.089 50 0 GKAARO Fc1cccc2c1SCC[C@H]2[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000084595046 571025628 /nfs/dbraw/zinc/02/56/28/571025628.db2.gz PYOYBDNJLXBFDA-GOSISDBHSA-N 1 0 389.442 5.907 50 0 GKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000037559464 571031200 /nfs/dbraw/zinc/03/12/00/571031200.db2.gz ASHOALLFIFVZSQ-UHFFFAOYSA-N 1 0 398.550 5.615 50 0 GKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3ccco3)c3ccc(F)cc3)CC2)cc1 ZINC000037559551 571031234 /nfs/dbraw/zinc/03/12/34/571031234.db2.gz LUWQDFMGBXZLAJ-UHFFFAOYSA-N 1 0 392.474 5.039 50 0 GKAARO CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037560319 571031665 /nfs/dbraw/zinc/03/16/65/571031665.db2.gz SSBPRANHGHPPAN-UHFFFAOYSA-N 1 0 386.486 5.009 50 0 GKAARO CC(C)[C@@H]([NH2+][C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1)c1ccccc1 ZINC000012786587 571039294 /nfs/dbraw/zinc/03/92/94/571039294.db2.gz XHWOGEAKYCOZDM-AUUYWEPGSA-N 1 0 393.512 5.293 50 0 GKAARO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000095510099 571081758 /nfs/dbraw/zinc/08/17/58/571081758.db2.gz QROLEBPZAKPKPG-VWLOTQADSA-N 1 0 395.506 5.438 50 0 GKAARO C[C@H](c1ccc(-c2cnn3cc(-c4ccncc4)cnc23)cc1)[NH+]1CCCCC1 ZINC000426389520 231212022 /nfs/dbraw/zinc/21/20/22/231212022.db2.gz WCWKYBLKQYCQNJ-GOSISDBHSA-N 1 0 383.499 5.005 50 0 GKAARO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1 ZINC000017312205 210209628 /nfs/dbraw/zinc/20/96/28/210209628.db2.gz LNMXISDFVKLOHW-OAHLLOKOSA-N 1 0 382.866 5.582 50 0 GKAARO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000016607188 210193041 /nfs/dbraw/zinc/19/30/41/210193041.db2.gz KCRGZEOUAQSFBS-UHFFFAOYSA-N 1 0 384.951 5.316 50 0 GKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000016477716 210190155 /nfs/dbraw/zinc/19/01/55/210190155.db2.gz NSFHMXPBPFYEHN-UHFFFAOYSA-N 1 0 384.523 5.443 50 0 GKAARO Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)c3cc(F)ccc3[nH]2)cc1 ZINC000015862321 210176471 /nfs/dbraw/zinc/17/64/71/210176471.db2.gz SSXBDJTYPKLFEV-UHFFFAOYSA-N 1 0 386.470 5.178 50 0 GKAARO Cc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860273 210174862 /nfs/dbraw/zinc/17/48/62/210174862.db2.gz TWJUHPITDVPCLU-NRFANRHFSA-N 1 0 382.548 5.089 50 0 GKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000015075756 210149413 /nfs/dbraw/zinc/14/94/13/210149413.db2.gz VETFXSZOAQDQLO-HXUWFJFHSA-N 1 0 392.543 5.345 50 0 GKAARO CCC[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C)C[C@H]1CCCO1 ZINC000014968596 210135435 /nfs/dbraw/zinc/13/54/35/210135435.db2.gz LKBPHJZYTPCTPL-QGZVFWFLSA-N 1 0 382.426 5.060 50 0 GKAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+](CC1CC1)C[C@H]1CCCO1 ZINC000014953561 210134106 /nfs/dbraw/zinc/13/41/06/210134106.db2.gz XGOKGAMYHJFVJL-GOSISDBHSA-N 1 0 394.437 5.060 50 0 GKAARO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[NH+]4CCCCCC4)cc3)sc2c1 ZINC000013041660 210050092 /nfs/dbraw/zinc/05/00/92/210050092.db2.gz OEHSLRMGTRHWON-QGZVFWFLSA-N 1 0 393.556 5.475 50 0 GKAARO CC1CC[NH+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 ZINC000013038598 210047724 /nfs/dbraw/zinc/04/77/24/210047724.db2.gz MIPLHFMRSKBZPA-IBGZPJMESA-N 1 0 377.315 5.405 50 0 GKAARO CC1CC[NH+]([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 ZINC000013038597 210047299 /nfs/dbraw/zinc/04/72/99/210047299.db2.gz MIPLHFMRSKBZPA-LJQANCHMSA-N 1 0 377.315 5.405 50 0 GKAARO CC(C)[C@H]([NH2+][C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1)c1ccccc1 ZINC000012786590 210009063 /nfs/dbraw/zinc/00/90/63/210009063.db2.gz XHWOGEAKYCOZDM-KUHUBIRLSA-N 1 0 393.512 5.293 50 0 GKAARO CC[C@H](C)c1ccc([C@H]([NH2+]Cc2cc(=O)n3cc(C)ccc3n2)C(C)C)cc1 ZINC000007719027 209742252 /nfs/dbraw/zinc/74/22/52/209742252.db2.gz KFLHCPYOCSFYSL-MHECFPHRSA-N 1 0 377.532 5.003 50 0 GKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)o1 ZINC000002928677 209398705 /nfs/dbraw/zinc/39/87/05/209398705.db2.gz YRWJTBVNRYFAAG-SBUREZEXSA-N 1 0 381.947 6.677 50 0 GKAARO CCCOc1cc(Br)c(C[NH2+][C@@H](C)c2ccccc2)cc1OCC ZINC000002845492 209391104 /nfs/dbraw/zinc/39/11/04/209391104.db2.gz JKPWOEQRJSGOTI-HNNXBMFYSA-N 1 0 392.337 5.487 50 0 GKAARO O=C(Cc1ccc(-c2ccccc2)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000002615901 209370707 /nfs/dbraw/zinc/37/07/07/209370707.db2.gz NWFOQLOBWYCSMF-UHFFFAOYSA-N 1 0 390.571 5.201 50 0 GKAARO c1ccc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000002571295 209369677 /nfs/dbraw/zinc/36/96/77/209369677.db2.gz PQNONPNCFJTPJQ-UHFFFAOYSA-N 1 0 398.529 7.023 50 0 GKAARO CC1CC[NH+]([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccn2)CC1 ZINC000002708333 209377880 /nfs/dbraw/zinc/37/78/80/209377880.db2.gz UXXHOPRBEMDSNW-HSZRJFAPSA-N 1 0 394.603 6.204 50 0 GKAARO CCCCC[NH+](CCCCC)C[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001718638 209336714 /nfs/dbraw/zinc/33/67/14/209336714.db2.gz HEXZNDLJTGDXON-SANMLTNESA-N 1 0 381.604 6.434 50 0 GKAARO Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)C[NH+]1CCCCC1 ZINC000000856728 209273694 /nfs/dbraw/zinc/27/36/94/209273694.db2.gz FTMIWMQSQFPLLB-SANMLTNESA-N 1 0 390.571 5.302 50 0 GKAARO CC(C)CC[NH2+]C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000001820733 212257011 /nfs/dbraw/zinc/25/70/11/212257011.db2.gz UFYSTLUSQSQEBD-INIZCTEOSA-N 1 0 379.331 5.098 50 0 GKAARO C[NH+](C)Cc1cccc(S[C@@H]2c3ccccc3CSc3ccccc32)c1 ZINC000002049817 212262066 /nfs/dbraw/zinc/26/20/66/212262066.db2.gz UJAJAALVVRGPJM-HSZRJFAPSA-N 1 0 377.578 6.236 50 0 GKAARO O[C@H](C[NH2+]C1CCCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000758191 212178972 /nfs/dbraw/zinc/17/89/72/212178972.db2.gz JAEHRJLXQLQEPU-QGZVFWFLSA-N 1 0 391.342 5.385 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1 ZINC000004027192 212146780 /nfs/dbraw/zinc/14/67/80/212146780.db2.gz DBOUKUPGIYVACZ-UNMCSNQZSA-N 1 0 397.559 5.173 50 0 biogenic GKAARO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000004081783 212146507 /nfs/dbraw/zinc/14/65/07/212146507.db2.gz OYNIUJOJEWHJPN-ASBKZRTJSA-N 1 0 395.631 6.092 50 0 biogenic GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(OC(C)C)cc2)C(C)C)cc1OC ZINC000001899958 212143860 /nfs/dbraw/zinc/14/38/60/212143860.db2.gz AKKNPBZYGGQDLY-QFIPXVFZSA-N 1 0 385.548 5.411 50 0 biogenic GKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3cccnc3)CCC[C@@]21C ZINC000035999453 212110661 /nfs/dbraw/zinc/11/06/61/212110661.db2.gz HLBOPDVKVWFGHS-ZNZIZOMTSA-N 1 0 376.588 6.005 50 0 GKAARO CC[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(c1nc(-c3ccccc3)cs1)[NH2+]2 ZINC000005274987 212065596 /nfs/dbraw/zinc/06/55/96/212065596.db2.gz LAORYDCCCIFVJH-RVZJWNSFSA-N 1 0 395.450 5.063 50 0 GKAARO C[NH+](C)CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000248127894 203814241 /nfs/dbraw/zinc/81/42/41/203814241.db2.gz PMGFTIDUJNLRSY-GWZVJQKXSA-N 1 0 397.603 5.613 50 0 GKAARO COc1ccccc1[C@]1(CC[NH2+][C@@H](C)c2cccs2)CCO[C@H](C(C)C)C1 ZINC000002237058 203932671 /nfs/dbraw/zinc/93/26/71/203932671.db2.gz CEYBVEUXOMNZSU-AVCGJXAMSA-N 1 0 387.589 5.570 50 0 GKAARO CN(C)c1ccccc1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000002578111 203948957 /nfs/dbraw/zinc/94/89/57/203948957.db2.gz ZEMZPXWZVTUONV-UHFFFAOYSA-N 1 0 393.555 7.192 50 0 GKAARO CCC[C@](O)(c1ccc(OC)c(F)c1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000003642850 204016862 /nfs/dbraw/zinc/01/68/62/204016862.db2.gz QXSGOLKQCJTVIL-URXFXBBRSA-N 1 0 385.523 5.092 50 0 GKAARO Cc1ccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2ccco2)cc1C ZINC000003665383 204018148 /nfs/dbraw/zinc/01/81/48/204018148.db2.gz ZSEWKXHIBIZWFF-SFHVURJKSA-N 1 0 399.604 5.217 50 0 GKAARO CCCC[C@]1(O)C[C@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000004109022 204027556 /nfs/dbraw/zinc/02/75/56/204027556.db2.gz UJRIBUDZMNUBLS-JDGBCZCZSA-N 1 0 383.532 5.037 50 0 GKAARO CN1c2ccccc2C(C)(C)/C1=C\C=C\C=C\C1=[N+](C)c2ccccc2C1(C)C ZINC000004272033 204036145 /nfs/dbraw/zinc/03/61/45/204036145.db2.gz BJWYLGUXZMRYGX-UHFFFAOYSA-N 1 0 383.559 6.117 50 0 GKAARO CCOc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000004657426 204061140 /nfs/dbraw/zinc/06/11/40/204061140.db2.gz ZJALJNUPIKLBOV-UHFFFAOYSA-N 1 0 377.887 5.489 50 0 aggregator GKAARO Cc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000005112009 204112408 /nfs/dbraw/zinc/11/24/08/204112408.db2.gz JVWWXYXUTLHZCP-UHFFFAOYSA-N 1 0 398.550 5.702 50 0 GKAARO COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1Cl ZINC000005163630 204116925 /nfs/dbraw/zinc/11/69/25/204116925.db2.gz BUZOOTVRWDNERF-PTUXOGIPSA-N 1 0 385.935 5.217 50 0 GKAARO COc1ccccc1[C@]1(CC[NH2+]Cc2ccccc2F)CCO[C@H](C(C)C)C1 ZINC000005025034 204103725 /nfs/dbraw/zinc/10/37/25/204103725.db2.gz KCYOBLYWPXGPGW-BJKOFHAPSA-N 1 0 385.523 5.087 50 0 GKAARO CC1(C)C[C@](CC[NH2+]Cc2ccccc2F)(Cc2ccccc2Cl)CCO1 ZINC000005477667 204135030 /nfs/dbraw/zinc/13/50/30/204135030.db2.gz WITICCPQQTXLKK-QHCPKHFHSA-N 1 0 389.942 5.777 50 0 GKAARO CCOc1ccc([C@](O)(CC(C)C)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811661 204210931 /nfs/dbraw/zinc/21/09/31/204210931.db2.gz XDCNZAPXVYVKTL-JWQCQUIFSA-N 1 0 381.560 5.199 50 0 GKAARO Clc1ccc([C@@H](CC[NH2+]Cc2ccccn2)Cc2ccccc2Cl)cc1 ZINC000006671606 204192072 /nfs/dbraw/zinc/19/20/72/204192072.db2.gz MOHFPJIHRKYFIJ-SFHVURJKSA-N 1 0 385.338 5.895 50 0 GKAARO Clc1c(OCCC[N@@H+]2CCCC[C@H]2c2cccnc2)ccc2ccccc21 ZINC000006673529 204192173 /nfs/dbraw/zinc/19/21/73/204192173.db2.gz ZTUZPMLGGLBHHW-NRFANRHFSA-N 1 0 380.919 5.884 50 0 biogenic GKAARO COc1ccc([C@@](O)(CCC(C)C)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744314 204198680 /nfs/dbraw/zinc/19/86/80/204198680.db2.gz LQTRUZIZCSVCCE-UIOOFZCWSA-N 1 0 395.587 5.589 50 0 GKAARO COc1cccc([C@@H]2C[NH2+][C@]3(CCC[C@@H](C)C3)c3[nH]c4ccccc4c32)c1OC ZINC000006935460 204224736 /nfs/dbraw/zinc/22/47/36/204224736.db2.gz XPSNBHFIESOOFX-GSQWSPMESA-N 1 0 390.527 5.326 50 0 GKAARO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000008534241 204279803 /nfs/dbraw/zinc/27/98/03/204279803.db2.gz YUJDMVRHMMRISA-INIZCTEOSA-N 1 0 386.322 6.423 50 0 GKAARO C[NH+](C)[C@@H](CNc1ncnc2cc(-c3ccc(F)cc3)sc21)c1ccccc1 ZINC000008071650 204260526 /nfs/dbraw/zinc/26/05/26/204260526.db2.gz GOOZTQNVIPDOFY-IBGZPJMESA-N 1 0 392.503 5.212 50 0 GKAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(Cl)cc1Cl ZINC000008327570 204271503 /nfs/dbraw/zinc/27/15/03/204271503.db2.gz TVNSGZUKFMPMEP-HNNXBMFYSA-N 1 0 384.332 5.014 50 0 GKAARO Clc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCCO3)c3ccccc32)c(Cl)c1 ZINC000010315538 204333917 /nfs/dbraw/zinc/33/39/17/204333917.db2.gz OTKJXPDDHDHUSV-SFHVURJKSA-N 1 0 389.326 5.265 50 0 GKAARO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)o1 ZINC000011933199 204363060 /nfs/dbraw/zinc/36/30/60/204363060.db2.gz DLLWTDLMRDSSAG-UHFFFAOYSA-N 1 0 392.474 5.245 50 0 GKAARO Cc1cccc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](C4CCSCC4)C3)c2)c1 ZINC000011998210 204366636 /nfs/dbraw/zinc/36/66/36/204366636.db2.gz QISOLBAFENQBQU-NRFANRHFSA-N 1 0 394.584 5.208 50 0 GKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000036347366 205012578 /nfs/dbraw/zinc/01/25/78/205012578.db2.gz OEZXXYLOFCVQJO-QFIPXVFZSA-N 1 0 384.445 5.811 50 0 GKAARO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000036348333 205013065 /nfs/dbraw/zinc/01/30/65/205013065.db2.gz WXIMNESFIMTSHK-VWLOTQADSA-N 1 0 388.555 5.790 50 0 GKAARO CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037560317 205029545 /nfs/dbraw/zinc/02/95/45/205029545.db2.gz HQSUZWRWGNHARH-UHFFFAOYSA-N 1 0 386.486 5.009 50 0 GKAARO Cc1cc([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545874 205037952 /nfs/dbraw/zinc/03/79/52/205037952.db2.gz RWOMRPPBPKYRNA-HXUWFJFHSA-N 1 0 398.503 5.616 50 0 GKAARO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](CC1CCCCC1)CC2 ZINC000049590037 205129181 /nfs/dbraw/zinc/12/91/81/205129181.db2.gz GUOBFSYQCIFNOW-DEOSSOPVSA-N 1 0 399.962 5.885 50 0 GKAARO C[N@H+]1C/C(=C/c2ccccc2)C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1 ZINC000051330315 205134074 /nfs/dbraw/zinc/13/40/74/205134074.db2.gz GTJXVFHOQFLCHN-AMUBCXMBSA-N 1 0 379.507 5.249 50 0 GKAARO COc1cc(C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)ccc1OC(F)F ZINC000058014354 205162353 /nfs/dbraw/zinc/16/23/53/205162353.db2.gz JNVSQQMYMWJKSD-LJQANCHMSA-N 1 0 393.430 5.376 50 0 GKAARO C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000058160735 205166051 /nfs/dbraw/zinc/16/60/51/205166051.db2.gz YBHANQIEPGEPQM-SECBINFHSA-N 1 0 375.658 5.075 50 0 GKAARO Cc1ccc(-c2csc(N3[NH2+]C4=C(CCCCC4)[C@]3(O)C(F)(F)F)n2)cc1 ZINC000005274849 209122837 /nfs/dbraw/zinc/12/28/37/209122837.db2.gz CEXAMOATLBLXFT-KDOFPFPSSA-N 1 0 395.450 5.126 50 0 GKAARO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@H]1CCCc2ccccc21 ZINC000061003490 205182163 /nfs/dbraw/zinc/18/21/63/205182163.db2.gz NIBKUHGOBZDWMB-NRFANRHFSA-N 1 0 383.898 5.200 50 0 GKAARO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000067871719 205264982 /nfs/dbraw/zinc/26/49/82/205264982.db2.gz XKJBQWRPRBZNAO-IBGZPJMESA-N 1 0 395.934 5.686 50 0 GKAARO Cc1ccc(-n2cc(C[NH+]3CCC(F)(F)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000072419868 205346690 /nfs/dbraw/zinc/34/66/90/205346690.db2.gz UJMJRHGKUOWVRT-UHFFFAOYSA-N 1 0 381.470 5.387 50 0 GKAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000072411256 205347080 /nfs/dbraw/zinc/34/70/80/205347080.db2.gz ZQKRPJYHBQMKJM-IBGZPJMESA-N 1 0 398.510 5.467 50 0 GKAARO CC[C@]1(C)C[C@@H]([C@H](CC[NH2+]Cc2ccc(F)cc2)c2ccc(C)cc2)CCO1 ZINC000101187278 205808974 /nfs/dbraw/zinc/80/89/74/205808974.db2.gz CWHCPPKINMQAJH-ICDZXHCJSA-N 1 0 383.551 5.993 50 0 GKAARO COc1ccc2cc(C[NH2+]Cc3ccccc3Cl)c(-c3ccsc3)nc2c1 ZINC000299789998 206191951 /nfs/dbraw/zinc/19/19/51/206191951.db2.gz AGAZCGJVYHJIBM-UHFFFAOYSA-N 1 0 394.927 5.915 50 0 GKAARO Cc1ccc(-c2csc(N3[NH2+]C4=C(CCCCC4)[C@]3(O)C(F)(F)F)n2)cc1 ZINC000005274851 206215879 /nfs/dbraw/zinc/21/58/79/206215879.db2.gz CEXAMOATLBLXFT-KSSFIOAISA-N 1 0 395.450 5.126 50 0 GKAARO Clc1ccc([C@@H]2[C@@H]3CCCC[C@@]3([NH+]3CCCC3)ON2c2ccccc2)cc1 ZINC000017194225 206257939 /nfs/dbraw/zinc/25/79/39/206257939.db2.gz VTHPIPJKAPTIFC-YTFSRNRJSA-N 1 0 382.935 5.815 50 0 GKAARO CCC[C@]1(O)C[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]1C ZINC000245326152 206281468 /nfs/dbraw/zinc/28/14/68/206281468.db2.gz JNMBOTCAWAEZQM-OOBDGNPPSA-N 1 0 378.343 5.936 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1OC ZINC000002101005 206292252 /nfs/dbraw/zinc/29/22/52/206292252.db2.gz PGBSTHZATDCMBM-RUZDIDTESA-N 1 0 397.559 5.019 50 0 biogenic GKAARO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1Cl ZINC000004084121 206293917 /nfs/dbraw/zinc/29/39/17/206293917.db2.gz CGAXGIVILAYNDK-HUVFLSCGSA-N 1 0 399.962 5.607 50 0 GKAARO Cc1ccc2c(=O)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(C)[nH]c2c1C ZINC000008714062 206294414 /nfs/dbraw/zinc/29/44/14/206294414.db2.gz OFTKBKQNTBZJOS-UHFFFAOYSA-N 1 0 396.534 6.068 50 0 GKAARO COc1ccc([C@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 ZINC000002450314 211514675 /nfs/dbraw/zinc/51/46/75/211514675.db2.gz NBOHSATYJQEGLE-BXKMTCNYSA-N 1 0 397.921 6.361 50 0 GKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)[NH+]2CCCCC2)c1C ZINC000000935748 206334549 /nfs/dbraw/zinc/33/45/49/206334549.db2.gz FXNMXVWJKSPZDY-OAQYLSRUSA-N 1 0 394.540 5.786 50 0 GKAARO COC[C@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000001447627 206381719 /nfs/dbraw/zinc/38/17/19/206381719.db2.gz VMXRSTJEXPLJIA-HNNXBMFYSA-N 1 0 392.890 5.188 50 0 GKAARO Cc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000010351344 206388368 /nfs/dbraw/zinc/38/83/68/206388368.db2.gz ZLIVROVTRXNGGA-SCLBCKFNSA-N 1 0 377.315 5.370 50 0 GKAARO c1cc(C2CCCCCCCCCCC2)cc2c3c4n(c12)CC[NH2+][C@H]4CCC3 ZINC000002075323 206397348 /nfs/dbraw/zinc/39/73/48/206397348.db2.gz AXJVCYHYSUEQAL-DEOSSOPVSA-N 1 0 378.604 7.010 50 0 GKAARO O=C(Nc1cccc(/C=C\c2ccccn2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000096935582 211353566 /nfs/dbraw/zinc/35/35/66/211353566.db2.gz WYCGDPKLVLKNDB-QINSGFPZSA-N 1 0 397.522 5.490 50 0 GKAARO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1cc(Cl)c(N)c(Cl)c1 ZINC000089904538 211186070 /nfs/dbraw/zinc/18/60/70/211186070.db2.gz SYQUINBMOZCMBX-JMERFSKESA-N 1 0 398.403 5.371 50 0 GKAARO COc1ccccc1OCCn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCCC1 ZINC000082086983 211159626 /nfs/dbraw/zinc/15/96/26/211159626.db2.gz NCKZCDKSTWKOLW-LJQANCHMSA-N 1 0 393.531 5.061 50 0 GKAARO Cc1cccc2cc(C[N@@H+](C)CCCc3nccn3C)c(-c3cccs3)nc12 ZINC000072432124 211118535 /nfs/dbraw/zinc/11/85/35/211118535.db2.gz HBZDFAIHASTLLA-UHFFFAOYSA-N 1 0 390.556 5.070 50 0 GKAARO Cc1n[nH]c(C)c1-c1c(-c2ccccc2)ncn1C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067868816 211027471 /nfs/dbraw/zinc/02/74/71/211027471.db2.gz SJPUVRVZJPFOMI-UHFFFAOYSA-N 1 0 377.536 5.039 50 0 GKAARO Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000012299260 206879014 /nfs/dbraw/zinc/87/90/14/206879014.db2.gz PXDHPKUOVGPVRC-UHFFFAOYSA-N 1 0 396.918 5.485 50 0 GKAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000012434047 206896268 /nfs/dbraw/zinc/89/62/68/206896268.db2.gz QLYZUMVQWGNWMK-UHFFFAOYSA-N 1 0 397.482 5.079 50 0 GKAARO COc1ccc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000013987363 207005578 /nfs/dbraw/zinc/00/55/78/207005578.db2.gz SJTQEQVTMNXQOA-UHFFFAOYSA-N 1 0 397.522 5.189 50 0 GKAARO O=C(Nc1ccc2c(c1)CC[NH2+]C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000040830132 210794873 /nfs/dbraw/zinc/79/48/73/210794873.db2.gz XOYOWXXIKWPXFC-UHFFFAOYSA-N 1 0 396.412 5.270 50 0 GKAARO COc1ccc(-c2nc(C[NH+]3CCC(c4ccccc4)CC3)c(C)o2)c(OC)c1 ZINC000014949994 207032342 /nfs/dbraw/zinc/03/23/42/207032342.db2.gz NVRSQYQHZWQAER-UHFFFAOYSA-N 1 0 392.499 5.047 50 0 GKAARO C[C@H]([NH2+]C1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1)c1cccs1 ZINC000014975961 207036869 /nfs/dbraw/zinc/03/68/69/207036869.db2.gz UXFLUEVVRPGOIT-KRWDZBQOSA-N 1 0 397.588 5.196 50 0 GKAARO Clc1ccccc1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000017310504 207087636 /nfs/dbraw/zinc/08/76/36/207087636.db2.gz UIERGTUCCBJCJX-UHFFFAOYSA-N 1 0 393.943 5.603 50 0 GKAARO Cc1ccc(-c2n[nH]cc2C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000019722205 207155340 /nfs/dbraw/zinc/15/53/40/207155340.db2.gz XPNHPSJTBBRLGC-UHFFFAOYSA-N 1 0 381.523 5.630 50 0 GKAARO Cc1ccc(Cl)cc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019812464 207163414 /nfs/dbraw/zinc/16/34/14/207163414.db2.gz ZAUIHZXISSKUBM-UHFFFAOYSA-N 1 0 390.914 5.459 50 0 GKAARO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccc(O)c(Cl)c3)C2)c1 ZINC000020271731 207185898 /nfs/dbraw/zinc/18/58/98/207185898.db2.gz MMLJEVDZXPTNKX-SFHVURJKSA-N 1 0 381.907 5.124 50 0 GKAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCCC[C@@H]1CCCO ZINC000020352092 207187949 /nfs/dbraw/zinc/18/79/49/207187949.db2.gz UZFWXETYXGFITF-HSZRJFAPSA-N 1 0 390.527 5.444 50 0 GKAARO Cc1[nH]c2ccccc2c1[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020507244 207199183 /nfs/dbraw/zinc/19/91/83/207199183.db2.gz CKGRVFXTUYWZRJ-DEOSSOPVSA-N 1 0 387.552 5.449 50 0 GKAARO c1ccc(C(c2ccccc2)[NH+]2CCN(C3=Nc4ccccc4CS3)CC2)cc1 ZINC000020365801 207190186 /nfs/dbraw/zinc/19/01/86/207190186.db2.gz QACUCHFWWHMICG-UHFFFAOYSA-N 1 0 399.563 5.328 50 0 GKAARO Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2ccncc2)s1 ZINC000020481999 207196457 /nfs/dbraw/zinc/19/64/57/207196457.db2.gz IBGBEJNBYOCNGS-LJQANCHMSA-N 1 0 377.513 5.041 50 0 GKAARO CCCCCC[C@@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020868539 207216244 /nfs/dbraw/zinc/21/62/44/207216244.db2.gz JYGDYZIQXYQTMZ-IZZNHLLZSA-N 1 0 395.587 5.269 50 0 GKAARO Cc1cc(C)cc(C[NH+]2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000022337173 207251702 /nfs/dbraw/zinc/25/17/02/207251702.db2.gz NSOAKCSZUXXENS-UHFFFAOYSA-N 1 0 375.478 6.167 50 0 GKAARO c1coc([C@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)N2CCCC2)c1 ZINC000022804508 207261258 /nfs/dbraw/zinc/26/12/58/207261258.db2.gz OOOQUABSQNISHT-SFHVURJKSA-N 1 0 393.512 5.076 50 0 GKAARO c1nc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)oc1-c1ccccc1 ZINC000023989915 207284513 /nfs/dbraw/zinc/28/45/13/207284513.db2.gz VBLROHOMQQDVHJ-QGZVFWFLSA-N 1 0 375.497 5.331 50 0 GKAARO Cc1cccc2cc(C[NH+]3CCC(c4ccncc4)CC3)c(-c3cccs3)nc12 ZINC000072409562 208016146 /nfs/dbraw/zinc/01/61/46/208016146.db2.gz LORMRJUWOPHCFK-UHFFFAOYSA-N 1 0 399.563 6.046 50 0 GKAARO Cc1ccccc1[C@@H](N1C=[N+]([C@H](c2ccccc2C)C(C)(C)C)CC1)C(C)(C)C ZINC000086012697 208102127 /nfs/dbraw/zinc/10/21/27/208102127.db2.gz MSACBYPQJZSFDT-JWQCQUIFSA-N 1 0 391.623 6.534 50 0 GKAARO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000079054166 208070961 /nfs/dbraw/zinc/07/09/61/208070961.db2.gz OHAHMTGUGICAAO-UHFFFAOYSA-N 1 0 385.558 5.072 50 0 GKAARO COc1ccc([C@@H]2[NH2+]C[C@H](c3ccc(N(C)C)cc3)c3c4ccccc4[nH]c32)cc1 ZINC000083854279 208085522 /nfs/dbraw/zinc/08/55/22/208085522.db2.gz LQBLVWJDOSDWSD-RDGATRHJSA-N 1 0 397.522 5.067 50 0 GKAARO CC[C@H]([NH2+]Cc1cnc(SC)nc1N(C)C1CCCCC1)c1ccccc1 ZINC000022625827 210418421 /nfs/dbraw/zinc/41/84/21/210418421.db2.gz FBXLUPAIUQQUNH-FQEVSTJZSA-N 1 0 384.593 5.208 50 0 GKAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)s1 ZINC000020776599 210361879 /nfs/dbraw/zinc/36/18/79/210361879.db2.gz QBWWMUQCYLVMKC-SFHVURJKSA-N 1 0 381.520 5.341 50 0 GKAARO COc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000020500889 210343510 /nfs/dbraw/zinc/34/35/10/210343510.db2.gz BTPKXYVSPCTESF-UHFFFAOYSA-N 1 0 381.903 5.260 50 0 GKAARO COc1ccc(OC)c(-c2nc(C[NH+]3CCC(c4ccccc4)CC3)c(C)o2)c1 ZINC000019842383 210301910 /nfs/dbraw/zinc/30/19/10/210301910.db2.gz QAOFEHZCVFEQRY-UHFFFAOYSA-N 1 0 392.499 5.047 50 0 GKAARO Cc1sc(NC(=O)c2ccccc2)c(C[N@@H+]2CCc3ccccc3C2)c1C ZINC000019880171 210304592 /nfs/dbraw/zinc/30/45/92/210304592.db2.gz XLBLMFRZEKEWLD-UHFFFAOYSA-N 1 0 376.525 5.176 50 0 GKAARO Cc1cccc(C[NH+]2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000019594557 210274503 /nfs/dbraw/zinc/27/45/03/210274503.db2.gz OCJYIGYOJCODJL-VWLOTQADSA-N 1 0 390.958 5.556 50 0 aggregator,fda GKAARO CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)C[NH2+]Cc1ccc(F)cc1 ZINC000230191393 209005705 /nfs/dbraw/zinc/00/57/05/209005705.db2.gz LCFXIWMDHGFFFS-PFBJBMPXSA-N 1 0 393.590 6.749 50 0 GKAARO CC(C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(Cl)cc1 ZINC000003314353 220627054 /nfs/dbraw/zinc/62/70/54/220627054.db2.gz CPGDAGFHNYKSIW-OAQYLSRUSA-N 1 0 390.999 5.385 50 0 GKAARO CC[C@]1(C)C[C@H]([C@@H](CC[NH2+]Cc2ccc(F)cc2)c2ccc(C)cc2)CCO1 ZINC000004815154 220769696 /nfs/dbraw/zinc/76/96/96/220769696.db2.gz CWHCPPKINMQAJH-PZUNEJSGSA-N 1 0 383.551 5.993 50 0 GKAARO C[C@@H]1[C@H]2CC[C@H](C)C[N@@H+]2[C@@H]2C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]21 ZINC000253614923 209044187 /nfs/dbraw/zinc/04/41/87/209044187.db2.gz JVKYZPBMZPJNAJ-QICRCJNVSA-N 1 0 397.647 5.655 50 0 GKAARO CCOc1ccc([C@@](O)(CCC(C)C)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811664 220966087 /nfs/dbraw/zinc/96/60/87/220966087.db2.gz UJKXDJIVYXPRGO-FTJBHMTQSA-N 1 0 395.587 5.589 50 0 GKAARO CC(C)(C)[C@H]1CCCC2=C1[NH+]=C1N=CNN1[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000007699119 221007181 /nfs/dbraw/zinc/00/71/81/221007181.db2.gz NDHLSTZBSUTFHE-JTHBVZDNSA-N 1 0 384.527 5.713 50 0 GKAARO Clc1ccc(OCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c2ccccc12 ZINC000008742590 221054354 /nfs/dbraw/zinc/05/43/54/221054354.db2.gz LBPIAAWOVWKQMR-JOCHJYFZSA-N 1 0 380.919 5.884 50 0 biogenic GKAARO OCC1(Cc2ccccc2C(F)(F)F)CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000011770229 221124983 /nfs/dbraw/zinc/12/49/83/221124983.db2.gz PVHCKAJGOVDBNA-RMKNXTFCSA-N 1 0 389.461 5.036 50 0 GKAARO CSc1ccc(-c2nc(C[NH+]3CCC(c4ccncc4)CC3)c(C)o2)cc1 ZINC000011667980 221120429 /nfs/dbraw/zinc/12/04/29/221120429.db2.gz VHZDVUVRLZMBJL-UHFFFAOYSA-N 1 0 379.529 5.147 50 0 GKAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000012074939 221147876 /nfs/dbraw/zinc/14/78/76/221147876.db2.gz LWHQXRFFXIAGDE-HXUWFJFHSA-N 1 0 392.499 5.179 50 0 GKAARO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC000012209445 221167678 /nfs/dbraw/zinc/16/76/78/221167678.db2.gz KXGOHKLMTDUCGL-MRXNPFEDSA-N 1 0 392.524 5.220 50 0 GKAARO COc1cc(C)c(-c2nc(C[N@H+](CC3CCC3)C[C@H]3CCCO3)c(C)o2)cc1C ZINC000012443264 221195389 /nfs/dbraw/zinc/19/53/89/221195389.db2.gz SZQCXHMQSHLBGG-HXUWFJFHSA-N 1 0 398.547 5.057 50 0 GKAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000012522806 221201297 /nfs/dbraw/zinc/20/12/97/221201297.db2.gz BUAJXYRJCCVLFM-FQEVSTJZSA-N 1 0 399.538 5.243 50 0 GKAARO Cc1c([C@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)cnn1-c1cccc(F)c1 ZINC000012570437 221208007 /nfs/dbraw/zinc/20/80/07/221208007.db2.gz ZZKPBWLSPKGOAU-ZDUSSCGKSA-N 1 0 377.385 5.189 50 0 GKAARO Cc1c([C@@H](C)[NH2+]Cc2ccccc2OC2CCCC2)cnn1-c1ccccc1 ZINC000012372923 221186708 /nfs/dbraw/zinc/18/67/08/221186708.db2.gz UVAPWNFLZJMHHI-GOSISDBHSA-N 1 0 375.516 5.353 50 0 GKAARO Cc1c([C@H](C)[NH2+]Cc2cccc(OC3CCCC3)c2)cnn1-c1cccc(F)c1 ZINC000012709355 221219920 /nfs/dbraw/zinc/21/99/20/221219920.db2.gz BQVOHRUWRJGUIN-KRWDZBQOSA-N 1 0 393.506 5.492 50 0 GKAARO COc1cccc(NC(=O)CCC2CC[NH+](Cc3cc4ccccc4o3)CC2)c1 ZINC000012713688 221220623 /nfs/dbraw/zinc/22/06/23/221220623.db2.gz WZTYONXWRUWXLX-UHFFFAOYSA-N 1 0 392.499 5.072 50 0 GKAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000012856808 221238465 /nfs/dbraw/zinc/23/84/65/221238465.db2.gz QDQVYMCVPNDTTF-QFIPXVFZSA-N 1 0 380.532 5.176 50 0 GKAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+]C4CCCC4)CC3)cc2)c(C)c1 ZINC000014880566 221317111 /nfs/dbraw/zinc/31/71/11/221317111.db2.gz LYQPVZSOXQZLCH-UHFFFAOYSA-N 1 0 391.559 5.057 50 0 GKAARO Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000014882699 221317548 /nfs/dbraw/zinc/31/75/48/221317548.db2.gz AJQUHCRQQZGNIS-LJQANCHMSA-N 1 0 379.454 5.110 50 0 GKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000015075757 221332013 /nfs/dbraw/zinc/33/20/13/221332013.db2.gz VETFXSZOAQDQLO-FQEVSTJZSA-N 1 0 392.543 5.345 50 0 GKAARO CSc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cc1 ZINC000015003820 221326632 /nfs/dbraw/zinc/32/66/32/221326632.db2.gz RZYVGFWEPYTLIZ-SFHVURJKSA-N 1 0 381.520 5.317 50 0 GKAARO CCc1c(C)sc2c1CC[N@H+](Cc1cccc(Cl)c1)[C@H]2c1ccccc1 ZINC000015864894 221350428 /nfs/dbraw/zinc/35/04/28/221350428.db2.gz XAOMAKOYSGFEKV-QFIPXVFZSA-N 1 0 381.972 6.420 50 0 GKAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)c3ccccc3Cl)c2)cc1 ZINC000017314499 221383128 /nfs/dbraw/zinc/38/31/28/221383128.db2.gz PSZIFQHZYOEEFK-QGZVFWFLSA-N 1 0 378.903 5.752 50 0 GKAARO Cc1scc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1-c1ccc(C)cc1 ZINC000057992740 136154258 /nfs/dbraw/zinc/15/42/58/136154258.db2.gz YUMUWWDAUURFHD-UHFFFAOYSA-N 1 0 380.532 5.493 50 0 GKAARO Cc1cc([C@@H](c2cccnc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546246 221880744 /nfs/dbraw/zinc/88/07/44/221880744.db2.gz CZRYTPDFTPBMFT-HXUWFJFHSA-N 1 0 395.528 5.118 50 0 GKAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(OC)cc2OC)cc1 ZINC000036348069 221851523 /nfs/dbraw/zinc/85/15/23/221851523.db2.gz CEMQEHJBQCWLLS-RUZDIDTESA-N 1 0 390.527 5.063 50 0 GKAARO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058163965 222042354 /nfs/dbraw/zinc/04/23/54/222042354.db2.gz WPOLOFLHBVULOI-MRXNPFEDSA-N 1 0 394.902 5.055 50 0 GKAARO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000058160734 222042365 /nfs/dbraw/zinc/04/23/65/222042365.db2.gz YBHANQIEPGEPQM-VIFPVBQESA-N 1 0 375.658 5.075 50 0 GKAARO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000058160575 222042417 /nfs/dbraw/zinc/04/24/17/222042417.db2.gz ITZAYPHZNAKFJA-IBGZPJMESA-N 1 0 380.491 5.546 50 0 GKAARO CC(C)(C)[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)c1cccs1 ZINC000058429999 222052649 /nfs/dbraw/zinc/05/26/49/222052649.db2.gz FLYPZCHICKQBEE-KRWDZBQOSA-N 1 0 396.350 5.159 50 0 GKAARO c1coc(-c2c(-c3ccccc3)ncn2C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000065408765 222127438 /nfs/dbraw/zinc/12/74/38/222127438.db2.gz FTSDHGLEEJWQBI-UHFFFAOYSA-N 1 0 384.483 5.042 50 0 GKAARO c1nc(-c2ccccc2)c(-c2cnc3ccccc3c2)n1[C@@H]1C[NH+]2CCC1CC2 ZINC000065405252 222128557 /nfs/dbraw/zinc/12/85/57/222128557.db2.gz YEZAFGDYOSQIEO-HSZRJFAPSA-N 1 0 380.495 5.032 50 0 GKAARO Cc1cc(C)c(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000072280563 222218157 /nfs/dbraw/zinc/21/81/57/222218157.db2.gz DZDKASNOADFFLJ-QGZVFWFLSA-N 1 0 379.548 5.165 50 0 GKAARO Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4C[NH2+]CC(C)C)c2cc1C ZINC000096115851 222383088 /nfs/dbraw/zinc/38/30/88/222383088.db2.gz UIQAXKTZURSWDM-UHFFFAOYSA-N 1 0 390.483 5.272 50 0 biogenic GKAARO CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000096148334 570214461 /nfs/dbraw/zinc/21/44/61/570214461.db2.gz MYPVTSXGBOUIED-HXUWFJFHSA-N 1 0 383.561 5.229 50 0 GKAARO CCOc1ccc(-c2ccc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)s2)cc1 ZINC000022626255 570223562 /nfs/dbraw/zinc/22/35/62/570223562.db2.gz QBWFARIJXXBXFZ-KRWDZBQOSA-N 1 0 388.577 5.054 50 0 GKAARO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000012810581 570225084 /nfs/dbraw/zinc/22/50/84/570225084.db2.gz HIHAZBDOOVQUIU-WDEREUQCSA-N 1 0 388.792 5.176 50 0 GKAARO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000006087009 570240342 /nfs/dbraw/zinc/24/03/42/570240342.db2.gz CHBMGSJSWVVCFL-CDUPZVGYSA-N 1 0 385.592 5.134 50 0 GKAARO c1ccc(C2CCC([NH+]3CCN(Cc4cccc5ccccc54)CC3)CC2)cc1 ZINC000020510049 570265070 /nfs/dbraw/zinc/26/50/70/570265070.db2.gz NSBCHPPXKCLETO-UHFFFAOYSA-N 1 0 384.567 5.684 50 0 GKAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccco1)c1ccc(OC(C)C)cc1 ZINC000001829761 570269386 /nfs/dbraw/zinc/26/93/86/570269386.db2.gz WOMOOTSCJMEEFY-JOCHJYFZSA-N 1 0 379.500 5.387 50 0 biogenic GKAARO CO[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000020910657 570283962 /nfs/dbraw/zinc/28/39/62/570283962.db2.gz PLMNYDHJBQDLCJ-OAQYLSRUSA-N 1 0 389.524 5.283 50 0 GKAARO Cc1ccc(-[n+]2c(-c3ccc(-c4ccccc4)cc3)cn3c2CCCCC3)cc1 ZINC000002385243 570285260 /nfs/dbraw/zinc/28/52/60/570285260.db2.gz NHHMTWXADGIWBP-UHFFFAOYSA-N 1 0 379.527 6.134 50 0 GKAARO CC(C)c1cccc(C(C)C)c1N1C=[N+](c2c(C(C)C)cccc2C(C)C)CC1 ZINC000002529855 570289951 /nfs/dbraw/zinc/28/99/51/570289951.db2.gz SCEZRJLZOZKPBC-UHFFFAOYSA-N 1 0 391.623 7.373 50 0 GKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3csc4c3CCCC4)CC2)c(C)c1 ZINC000006857897 570291258 /nfs/dbraw/zinc/29/12/58/570291258.db2.gz JTXZRLDPIPSXGP-UHFFFAOYSA-N 1 0 382.573 5.094 50 0 GKAARO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012918797 570293454 /nfs/dbraw/zinc/29/34/54/570293454.db2.gz VXDCRVJCAPDWCZ-NXEZZACHSA-N 1 0 376.831 5.098 50 0 GKAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034682942 570300497 /nfs/dbraw/zinc/30/04/97/570300497.db2.gz YINQTLGIKWXESC-UHFFFAOYSA-N 1 0 390.552 5.368 50 0 GKAARO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034682799 570300656 /nfs/dbraw/zinc/30/06/56/570300656.db2.gz SNAAQCYMZMVECC-UHFFFAOYSA-N 1 0 394.559 5.226 50 0 GKAARO CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000034683056 570300858 /nfs/dbraw/zinc/30/08/58/570300858.db2.gz UQSKPPSKXHDANS-UHFFFAOYSA-N 1 0 382.523 5.155 50 0 GKAARO Fc1ccc(C(CCCN2CC[N@@H+]3CCCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000022032951 570302755 /nfs/dbraw/zinc/30/27/55/570302755.db2.gz BDBNCAYIESYZJS-QHCPKHFHSA-N 1 0 384.514 5.047 50 0 GKAARO c1ccc(Oc2cccc(CN3CC[N@@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)c2)cc1 ZINC000584904408 570319281 /nfs/dbraw/zinc/31/92/81/570319281.db2.gz ICFIGWARIJACRJ-UIOOFZCWSA-N 1 0 390.571 5.708 50 0 GKAARO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035361570 570344767 /nfs/dbraw/zinc/34/47/67/570344767.db2.gz GSALKRWPFKYOEM-KGLIPLIRSA-N 1 0 396.541 5.348 50 0 GKAARO OC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C1 ZINC000004851654 570347079 /nfs/dbraw/zinc/34/70/79/570347079.db2.gz XSLGPTMCZRXAJH-HDYLNDSGSA-N 1 0 383.535 5.191 50 0 GKAARO OC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C1 ZINC000004851650 570347294 /nfs/dbraw/zinc/34/72/94/570347294.db2.gz XSLGPTMCZRXAJH-DNRSQYFGSA-N 1 0 383.535 5.191 50 0 GKAARO CC[N@@H+]1CCC[C@H](OC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)C1 ZINC000004863429 570350572 /nfs/dbraw/zinc/35/05/72/570350572.db2.gz NNYLKITWDDAHQO-INIZCTEOSA-N 1 0 394.902 5.196 50 0 GKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2Cl)N3)C1 ZINC000006256296 570350737 /nfs/dbraw/zinc/35/07/37/570350737.db2.gz OMGMONUGJNNFKV-INIZCTEOSA-N 1 0 396.343 5.250 50 0 GKAARO CCCCCc1nc2ccccc2n1CC(=O)Nc1ccc(CCCC)cc1 ZINC000004865182 570351242 /nfs/dbraw/zinc/35/12/42/570351242.db2.gz JVRFABWEVIINBQ-UHFFFAOYSA-N 1 0 377.532 5.750 50 0 GKAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023280473 570353654 /nfs/dbraw/zinc/35/36/54/570353654.db2.gz IQBOMOWUKJLGPO-OAHLLOKOSA-N 1 0 382.857 5.112 50 0 GKAARO Cc1ccc(C)c(N2CC[NH+]([C@H](C)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000023280970 570353711 /nfs/dbraw/zinc/35/37/11/570353711.db2.gz HNUKQBODNWIOSY-GOSISDBHSA-N 1 0 376.466 5.075 50 0 GKAARO Cc1ccc(C)c(N2CC[NH+]([C@@H](C)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000023280967 570353789 /nfs/dbraw/zinc/35/37/89/570353789.db2.gz HNUKQBODNWIOSY-SFHVURJKSA-N 1 0 376.466 5.075 50 0 GKAARO c1ccc(CCN2CCC([NH2+][C@H](Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000004022665 570354887 /nfs/dbraw/zinc/35/48/87/570354887.db2.gz DPCQZDOBXFSWBU-HHHXNRCGSA-N 1 0 384.567 5.267 50 0 GKAARO Cc1cccc(Cn2cccc2CN(CCC(C)C)Cc2cccc(F)c2F)c1 ZINC000004893426 570358043 /nfs/dbraw/zinc/35/80/43/570358043.db2.gz RUFWDYFHQHTMFR-UHFFFAOYSA-N 1 0 396.525 6.171 50 0 GKAARO CC(C)n1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000035476069 570365296 /nfs/dbraw/zinc/36/52/96/570365296.db2.gz AIEUOQPLKHWQRR-UHFFFAOYSA-N 1 0 396.579 5.368 50 0 GKAARO CCOC(=O)CC1=CC(SCc2ccc(C)cc2C)=Nc2ccccc2N1 ZINC000035480712 570372595 /nfs/dbraw/zinc/37/25/95/570372595.db2.gz LYVQZIMYGGWCBZ-UHFFFAOYSA-N 1 0 380.513 5.529 50 0 GKAARO c1nc(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)oc1-c1ccccc1 ZINC000023989916 570376289 /nfs/dbraw/zinc/37/62/89/570376289.db2.gz VBLROHOMQQDVHJ-KRWDZBQOSA-N 1 0 375.497 5.331 50 0 GKAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004477948 570376881 /nfs/dbraw/zinc/37/68/81/570376881.db2.gz IBVUWOBSESRAEG-RSYZFUPGSA-N 1 0 389.514 5.906 50 0 GKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)cc2)(c2ccc(OC)cc2)CCO1 ZINC000004951077 570380878 /nfs/dbraw/zinc/38/08/78/570380878.db2.gz RZCWUQPCGKDIRD-RPBOFIJWSA-N 1 0 397.559 5.101 50 0 GKAARO CCCCCc1ccc(OCCCC[n+]2ccc(C)cc2)c(CCCCC)c1 ZINC000004530584 570382330 /nfs/dbraw/zinc/38/23/30/570382330.db2.gz OIZJTWMKTCNXRJ-UHFFFAOYSA-N 1 0 382.612 6.607 50 0 GKAARO CCCC[NH+](CCCC)CCSCC(=O)Nc1cc(Cl)ccc1Cl ZINC000004579038 570385957 /nfs/dbraw/zinc/38/59/57/570385957.db2.gz MMIMTINEUHVWNH-UHFFFAOYSA-N 1 0 391.408 5.567 50 0 GKAARO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1cccnc1 ZINC000004621975 570388418 /nfs/dbraw/zinc/38/84/18/570388418.db2.gz PBESAEXRQCKFKD-UHFFFAOYSA-N 1 0 388.898 5.757 50 0 GKAARO CCOc1ccc2c(c1)sc(=S)n2C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000024632992 570388504 /nfs/dbraw/zinc/38/85/04/570388504.db2.gz QQVIKSRYKMNKCS-UHFFFAOYSA-N 1 0 398.597 5.743 50 0 GKAARO C[n+]1c(-c2sc(-c3ccccc3)cc2-c2ccccc2)ccc2ccccc21 ZINC000004666845 570391432 /nfs/dbraw/zinc/39/14/32/570391432.db2.gz SRIPEGUWLHTACE-UHFFFAOYSA-N 1 0 378.520 6.727 50 0 GKAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc2ncsc2c1)C1CCCCC1 ZINC000024776525 570393039 /nfs/dbraw/zinc/39/30/39/570393039.db2.gz FHOZUQXAAZPUOM-UHFFFAOYSA-N 1 0 379.529 5.313 50 0 GKAARO CC(C)[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccccc1 ZINC000024922624 570398061 /nfs/dbraw/zinc/39/80/61/570398061.db2.gz RSCRNRNMTARWOF-OAQYLSRUSA-N 1 0 389.524 5.139 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004808937 570406763 /nfs/dbraw/zinc/40/67/63/570406763.db2.gz AKQUMANZBQUAEU-NFBKMPQASA-N 1 0 385.523 5.303 50 0 GKAARO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OCc1cccs1 ZINC000004841899 570411021 /nfs/dbraw/zinc/41/10/21/570411021.db2.gz CRSLUYWIWXHSQM-UHFFFAOYSA-N 1 0 383.513 5.024 50 0 GKAARO CC[C@@H](C)[N@H+](CCNC(=O)c1csc2c1CCCCC2)C1CCCCC1 ZINC000005070485 570411265 /nfs/dbraw/zinc/41/12/65/570411265.db2.gz SVYDKBJCWDTFCQ-QGZVFWFLSA-N 1 0 376.610 5.180 50 0 GKAARO CCCC[N@H+](CCCNC(=O)c1csc2c1CCCCC2)Cc1ccccc1 ZINC000005070470 570411276 /nfs/dbraw/zinc/41/12/76/570411276.db2.gz OIOKKJYRFMURDZ-UHFFFAOYSA-N 1 0 398.616 5.439 50 0 GKAARO C[N@H+](C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1 ZINC000004845025 570411744 /nfs/dbraw/zinc/41/17/44/570411744.db2.gz UESXOBVFCVOXTG-KENPWYROSA-N 1 0 397.603 5.159 50 0 GKAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000025414945 570413126 /nfs/dbraw/zinc/41/31/26/570413126.db2.gz MOILVZQKHZLEJV-DEOSSOPVSA-N 1 0 386.495 5.138 50 0 GKAARO CSc1ccccc1C[NH+]1CCC(Cc2ccc(-n3cccc3)cc2)CC1 ZINC000022649670 570413792 /nfs/dbraw/zinc/41/37/92/570413792.db2.gz BYPCVYPIRXGDNM-UHFFFAOYSA-N 1 0 376.569 5.654 50 0 GKAARO CCO/C=C(C)\C=C\C1=C/C(=C/c2sc3ccccc3[n+]2CC)CC(C)(C)C1 ZINC000004951035 570419532 /nfs/dbraw/zinc/41/95/32/570419532.db2.gz XPDVBUHZHCJFCC-KDSVOXNMSA-N 1 0 394.604 6.835 50 0 GKAARO CC(C)(C)Oc1ccc(C[NH2+]CC[C@H](c2ccco2)c2ccc(F)cc2)cc1 ZINC000001776432 570423121 /nfs/dbraw/zinc/42/31/21/570423121.db2.gz QNIMYIODTYZHQY-QFIPXVFZSA-N 1 0 381.491 5.908 50 0 GKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000005027709 570424671 /nfs/dbraw/zinc/42/46/71/570424671.db2.gz WBWFQGCNSJCFDP-QGZVFWFLSA-N 1 0 381.903 5.778 50 0 GKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccc4ccccc4c2)[C@H]3CCC1 ZINC000005032485 570425249 /nfs/dbraw/zinc/42/52/49/570425249.db2.gz SBUWIXOOCSFQCW-SANMLTNESA-N 1 0 380.535 6.386 50 0 GKAARO Cc1ccc([C@@H](CC[NH2+][C@H](C)c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001801348 570425704 /nfs/dbraw/zinc/42/57/04/570425704.db2.gz GSDFCHVNBSMNQD-AJTFRIOCSA-N 1 0 387.567 6.655 50 0 biogenic GKAARO Cc1ccc([C@H](c2ccccc2C)[NH+]2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000072265278 570429706 /nfs/dbraw/zinc/42/97/06/570429706.db2.gz RRGYRDBVCMHVKI-RUZDIDTESA-N 1 0 399.538 5.243 50 0 GKAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000011011290 570431526 /nfs/dbraw/zinc/43/15/26/570431526.db2.gz WKBVKTAHWHLSCW-DEOSSOPVSA-N 1 0 386.495 5.285 50 0 GKAARO CC1(C)C[C@@](CC[NH2+]Cc2ccc(F)cc2)(Cc2ccccc2Cl)CCO1 ZINC000005298429 570433670 /nfs/dbraw/zinc/43/36/70/570433670.db2.gz ZROBBKQHGNWTQY-HSZRJFAPSA-N 1 0 389.942 5.777 50 0 GKAARO Cc1ccc([C@@H](CC[NH2+]Cc2ccc(OC(C)(C)C)cc2)c2ccco2)cc1 ZINC000005156424 570434439 /nfs/dbraw/zinc/43/44/39/570434439.db2.gz FOIGLEVTAXEUKN-HSZRJFAPSA-N 1 0 377.528 6.077 50 0 GKAARO CC1CC[NH+]([C@@H](CNC(=O)c2occc2-c2ccccc2)c2cccs2)CC1 ZINC000027575815 570435956 /nfs/dbraw/zinc/43/59/56/570435956.db2.gz AMIVRJVKDNFNFD-FQEVSTJZSA-N 1 0 394.540 5.211 50 0 GKAARO CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662575 570438741 /nfs/dbraw/zinc/43/87/41/570438741.db2.gz JUGFKHQTMLSCSJ-FQEVSTJZSA-N 1 0 384.589 5.393 50 0 GKAARO Cc1cc(Nc2ccc(OCc3ccccc3Cl)cc2)c2cccc(C)c2[nH+]1 ZINC000001904966 570441370 /nfs/dbraw/zinc/44/13/70/570441370.db2.gz WVURYVSBWQABMY-UHFFFAOYSA-N 1 0 388.898 6.828 50 0 GKAARO CC1(C)C[C@@](CC[NH2+]Cc2cccs2)(Cc2ccccc2Cl)CCO1 ZINC000005478567 570441742 /nfs/dbraw/zinc/44/17/42/570441742.db2.gz RPTHCMDGOHIXSX-OAQYLSRUSA-N 1 0 377.981 5.699 50 0 GKAARO CCCCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000027992058 570448785 /nfs/dbraw/zinc/44/87/85/570448785.db2.gz SZWUHCFOWSUHSM-DEOSSOPVSA-N 1 0 394.559 5.131 50 0 GKAARO Cc1ccc(C)c2c(=O)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(C)[nH]c12 ZINC000054219860 570456120 /nfs/dbraw/zinc/45/61/20/570456120.db2.gz SLGGTQZBIWFLMU-UHFFFAOYSA-N 1 0 396.534 5.656 50 0 GKAARO Clc1ccccc1C[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028427971 570459618 /nfs/dbraw/zinc/45/96/18/570459618.db2.gz ZZNCAGYURBGXSZ-UHFFFAOYSA-N 1 0 395.333 6.286 50 0 GKAARO Cc1ccccc1C[N@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1 ZINC000035841041 570463179 /nfs/dbraw/zinc/46/31/79/570463179.db2.gz BGJHAFGMEWFNTM-UHFFFAOYSA-N 1 0 398.525 6.186 50 0 GKAARO Fc1cccc(C[N@H+](Cc2cccn2Cc2ccccc2F)C2CCCCC2)c1 ZINC000035841039 570463424 /nfs/dbraw/zinc/46/34/24/570463424.db2.gz OLDGUSCBHYODFC-UHFFFAOYSA-N 1 0 394.509 6.150 50 0 GKAARO COc1cccc(Cn2cccc2C[N@H+](CCC(C)C)Cc2ccccc2C)c1 ZINC000035841123 570463733 /nfs/dbraw/zinc/46/37/33/570463733.db2.gz KMXNZWIOTCAQEY-UHFFFAOYSA-N 1 0 390.571 5.902 50 0 GKAARO C[NH+](C)Cc1cccc([C@@H](O)[C@H]2c3ccccc3CSc3ccccc32)c1 ZINC000006637814 570485888 /nfs/dbraw/zinc/48/58/88/570485888.db2.gz SPLBTLHSWXXNDH-BJKOFHAPSA-N 1 0 375.537 5.219 50 0 GKAARO COc1ccc(C[NH2+][C@@H](C)c2cc3ccccc3o2)cc1OCc1cccnc1 ZINC000030545633 570490851 /nfs/dbraw/zinc/49/08/51/570490851.db2.gz DTESKIKVQXTSBT-KRWDZBQOSA-N 1 0 388.467 5.266 50 0 GKAARO COc1ccc([C@@H](C)[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)cc1F ZINC000030628209 570492521 /nfs/dbraw/zinc/49/25/21/570492521.db2.gz JBBRVRJTNWKNIJ-GOSISDBHSA-N 1 0 394.490 5.276 50 0 GKAARO CCCCc1nc2ccccc2c(NC(=O)C[NH+]2CCCCCC2)c1CCC ZINC000003075074 570502409 /nfs/dbraw/zinc/50/24/09/570502409.db2.gz UDFYKUDRJLBSRE-UHFFFAOYSA-N 1 0 381.564 5.344 50 0 GKAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000007523752 570507108 /nfs/dbraw/zinc/50/71/08/570507108.db2.gz LYMAXRSYTYZBPM-UHFFFAOYSA-N 1 0 392.282 5.464 50 0 GKAARO C[N@@H+]1CCC[C@H](COC(=O)c2cccs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822780 570509690 /nfs/dbraw/zinc/50/96/90/570509690.db2.gz DCXDMCARLIRQIN-PBHICJAKSA-N 1 0 383.435 5.007 50 0 GKAARO C[N@@H+]1CCC[C@H](COC(=O)c2ccccc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822727 570509815 /nfs/dbraw/zinc/50/98/15/570509815.db2.gz WSPOOGDTPZVEJW-BEFAXECRSA-N 1 0 395.396 5.084 50 0 GKAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)c(OC)c1OC ZINC000033087127 570519677 /nfs/dbraw/zinc/51/96/77/570519677.db2.gz HRERUZFXZLCRMU-IBGZPJMESA-N 1 0 389.923 5.483 50 0 GKAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)s2)c(OC)c1OC ZINC000033087133 570519813 /nfs/dbraw/zinc/51/98/13/570519813.db2.gz BLAFDTIQJUWGBS-KRWDZBQOSA-N 1 0 375.534 5.200 50 0 GKAARO C[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000006654431 570521062 /nfs/dbraw/zinc/52/10/62/570521062.db2.gz KHDYYLBIZKTUGB-OAHLLOKOSA-N 1 0 399.321 6.097 50 0 GKAARO CC(=O)c1ccc(Nc2ncnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc1 ZINC000032960479 570528981 /nfs/dbraw/zinc/52/89/81/570528981.db2.gz JQDMKWKYFYMQMP-UHFFFAOYSA-N 1 0 392.409 5.262 50 0 GKAARO Cc1c(C)n(-c2cccc(Cl)c2)c2ncnc(NCc3ccc(F)cc3)c12 ZINC000032960528 570529065 /nfs/dbraw/zinc/52/90/65/570529065.db2.gz NMAVCNRXPCEFCJ-UHFFFAOYSA-N 1 0 380.854 5.442 50 0 GKAARO COc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000008470401 570531940 /nfs/dbraw/zinc/53/19/40/570531940.db2.gz WUGSCYYNQMBLQJ-UHFFFAOYSA-N 1 0 394.342 6.003 50 0 GKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000008535325 570533366 /nfs/dbraw/zinc/53/33/66/570533366.db2.gz SBODALPUXDENRY-QGZVFWFLSA-N 1 0 381.903 5.778 50 0 GKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(F)cc2)(c2ccc(OC)cc2)CCO1 ZINC000004833767 570540614 /nfs/dbraw/zinc/54/06/14/570540614.db2.gz KHNRMMLORMRALV-BJKOFHAPSA-N 1 0 385.523 5.231 50 0 GKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(F)cc2)(c2ccc(OC)cc2)CCO1 ZINC000004833766 570540699 /nfs/dbraw/zinc/54/06/99/570540699.db2.gz KHNRMMLORMRALV-DNQXCXABSA-N 1 0 385.523 5.231 50 0 GKAARO Fc1ccc(-c2n[nH]cc2C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000036127260 570545944 /nfs/dbraw/zinc/54/59/44/570545944.db2.gz YMYRQGLUQOUDEK-UHFFFAOYSA-N 1 0 385.486 5.461 50 0 GKAARO C[NH+](C)[C@@H](CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cccs1 ZINC000032970916 570555450 /nfs/dbraw/zinc/55/54/50/570555450.db2.gz JASVISNSBPMERP-FPOVZHCZSA-N 1 0 396.581 5.001 50 0 GKAARO COc1ccc([C@](O)(CCC(C)C)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006743810 570563805 /nfs/dbraw/zinc/56/38/05/570563805.db2.gz RBTQRRLXXCEYGE-JWQCQUIFSA-N 1 0 381.560 5.199 50 0 GKAARO COc1ccc([C@@](O)([C@H](C[NH+]2CCCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000006743821 570563820 /nfs/dbraw/zinc/56/38/20/570563820.db2.gz LBSIRYRCMMQUAB-CLJLJLNGSA-N 1 0 393.571 5.343 50 0 GKAARO COc1ccc([C@](O)([C@@H](C[NH+]2CCCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000006743814 570563891 /nfs/dbraw/zinc/56/38/91/570563891.db2.gz LBSIRYRCMMQUAB-UIOOFZCWSA-N 1 0 393.571 5.343 50 0 GKAARO CCCCC[C@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744286 570563992 /nfs/dbraw/zinc/56/39/92/570563992.db2.gz SVRFXBVYYZARBQ-UIOOFZCWSA-N 1 0 395.587 5.733 50 0 GKAARO Clc1ccc(Cn2cc(C[NH2+]Cc3ccco3)c3ccccc32)c(Cl)c1 ZINC000010315656 570568532 /nfs/dbraw/zinc/56/85/32/570568532.db2.gz GIWBFLVSLARVJP-UHFFFAOYSA-N 1 0 385.294 5.879 50 0 GKAARO CCCC(O)(CCC)c1ccc(C[N@@H+](Cc2ccccc2C)C[C@H]2CCCO2)o1 ZINC000036203224 570568562 /nfs/dbraw/zinc/56/85/62/570568562.db2.gz KFKINKIBUOZBCC-JOCHJYFZSA-N 1 0 399.575 5.557 50 0 GKAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(OC)c(C)c3)oc2C)c1 ZINC000011753647 570581039 /nfs/dbraw/zinc/58/10/39/570581039.db2.gz NBPIAADRCYJRJA-JOCHJYFZSA-N 1 0 392.499 5.313 50 0 GKAARO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000011843761 570587719 /nfs/dbraw/zinc/58/77/19/570587719.db2.gz BMRCVRWWKJXFMI-QGZVFWFLSA-N 1 0 391.563 5.028 50 0 GKAARO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000011843588 570587738 /nfs/dbraw/zinc/58/77/38/570587738.db2.gz OOGFFCIWBVICCZ-IBGZPJMESA-N 1 0 383.495 5.730 50 0 GKAARO Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCCC3)C2)c1 ZINC000011880095 570591590 /nfs/dbraw/zinc/59/15/90/570591590.db2.gz GHWQLZZSSGYMQX-QFIPXVFZSA-N 1 0 390.571 5.277 50 0 GKAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+](C)C1CCOCC1 ZINC000012056640 570602398 /nfs/dbraw/zinc/60/23/98/570602398.db2.gz JAYZXUSBPCTLMJ-UHFFFAOYSA-N 1 0 378.472 5.053 50 0 GKAARO C=C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000005462118 570602474 /nfs/dbraw/zinc/60/24/74/570602474.db2.gz AQAGPBXWLXHMCE-CJAUYULYSA-N 1 0 379.544 5.749 50 0 GKAARO Clc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)c(Cl)c1 ZINC000005460674 570603747 /nfs/dbraw/zinc/60/37/47/570603747.db2.gz LGGACSMJQBHJJC-PZJWPPBQSA-N 1 0 394.305 6.489 50 0 GKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@H](C)c2cccs2)c2ccc(F)cc2)cc1 ZINC000005477862 570607742 /nfs/dbraw/zinc/60/77/42/570607742.db2.gz KKPWRIIPPOACPR-WZONZLPQSA-N 1 0 397.559 6.547 50 0 GKAARO c1cc(-c2nc3cc4c(cc3cc2C[NH2+]CC2CCCCC2)OCO4)cs1 ZINC000012098628 570608225 /nfs/dbraw/zinc/60/82/25/570608225.db2.gz LHWYRJGXCWBCDR-UHFFFAOYSA-N 1 0 380.513 5.362 50 0 GKAARO C[C@H]([NH2+]CC[C@@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)c1cccs1 ZINC000005478115 570608244 /nfs/dbraw/zinc/60/82/44/570608244.db2.gz QVQRRMIYBOJUJA-JTSKRJEESA-N 1 0 392.008 6.260 50 0 GKAARO CC(C)(c1ccccc1)c1ccc(OCC2CC[NH2+]CC2)c(Br)c1 ZINC000042774878 570622817 /nfs/dbraw/zinc/62/28/17/570622817.db2.gz CDJRQCJEFUMLRE-UHFFFAOYSA-N 1 0 388.349 5.153 50 0 GKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000036347367 570628835 /nfs/dbraw/zinc/62/88/35/570628835.db2.gz OEZXXYLOFCVQJO-JOCHJYFZSA-N 1 0 384.445 5.811 50 0 GKAARO CC(C)(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2F)cc1 ZINC000036347833 570630215 /nfs/dbraw/zinc/63/02/15/570630215.db2.gz HDZWNJFHYLRPNQ-DEOSSOPVSA-N 1 0 376.519 5.920 50 0 GKAARO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000036347744 570630328 /nfs/dbraw/zinc/63/03/28/570630328.db2.gz VPERQPWXAKWMGP-RUZDIDTESA-N 1 0 390.527 5.281 50 0 GKAARO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2C/C=C/c2ccccc2)cc1 ZINC000006845991 570646277 /nfs/dbraw/zinc/64/62/77/570646277.db2.gz ZQETVXUYNZWBDD-MSNXNEKQSA-N 1 0 377.528 5.077 50 0 biogenic GKAARO C[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000045221524 570646795 /nfs/dbraw/zinc/64/67/95/570646795.db2.gz NOQYIASRNSNDSL-GBESFXJTSA-N 1 0 387.608 6.090 50 0 GKAARO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000006849659 570647607 /nfs/dbraw/zinc/64/76/07/570647607.db2.gz CSALCCKLWJOGTI-BWUIKELBSA-N 1 0 377.528 5.077 50 0 biogenic GKAARO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCCC[C@@H]3c3ccccn3)ccc2c1 ZINC000012430312 570658692 /nfs/dbraw/zinc/65/86/92/570658692.db2.gz CMJLYRSPJYHRDQ-XMMPIXPASA-N 1 0 398.510 5.361 50 0 GKAARO CC(C)=CC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000012439635 570663491 /nfs/dbraw/zinc/66/34/91/570663491.db2.gz IJKGJVVRLGHSPT-UHFFFAOYSA-N 1 0 382.479 5.235 50 0 GKAARO COc1ccc2cc(-c3n[nH]cc3C[NH+]3CCC(c4ccncc4)CC3)ccc2c1 ZINC000012446453 570666906 /nfs/dbraw/zinc/66/69/06/570666906.db2.gz BHHDSICRVAYHGS-UHFFFAOYSA-N 1 0 398.510 5.013 50 0 GKAARO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000012448052 570667399 /nfs/dbraw/zinc/66/73/99/570667399.db2.gz CSXGMAPSJDKGQF-IBGZPJMESA-N 1 0 376.525 5.052 50 0 GKAARO CCCCn1c(C)c2c(c1C)C=CC(=C/C=C/c1ccc3ccccc3[n+]1C)C=C2 ZINC000685944251 570675320 /nfs/dbraw/zinc/67/53/20/570675320.db2.gz GSFPXZFQASJLRC-UHFFFAOYSA-N 1 0 395.570 6.563 50 0 GKAARO O=C(CCC[N@@H+]1CCc2ccccc2[C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000006885592 570679657 /nfs/dbraw/zinc/67/96/57/570679657.db2.gz BCELXGVOPNQNAC-RUZDIDTESA-N 1 0 387.498 5.479 50 0 GKAARO COc1cc(-c2nc(C[N@H+](C)[C@@H]3CCCc4ccccc43)c(C)o2)ccc1F ZINC000012572350 570681306 /nfs/dbraw/zinc/68/13/06/570681306.db2.gz RQZLXAYTIZQVDZ-OAQYLSRUSA-N 1 0 380.463 5.307 50 0 GKAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H]([NH2+]Cc2ccc(O)c(Cl)c2)C1 ZINC000012576012 570682261 /nfs/dbraw/zinc/68/22/61/570682261.db2.gz MECPDPIYPBJETB-LJQANCHMSA-N 1 0 399.897 5.174 50 0 GKAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3ccccc3-c3ccco3)c2C)cc1 ZINC000012595890 570688945 /nfs/dbraw/zinc/68/89/45/570688945.db2.gz QUKLGAUAODKHMV-QGZVFWFLSA-N 1 0 387.483 5.300 50 0 GKAARO CC(C)(C)c1cc(C[NH+]2CCN(c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000055542859 570696277 /nfs/dbraw/zinc/69/62/77/570696277.db2.gz JIOUJNZGCFJASH-UHFFFAOYSA-N 1 0 380.576 5.309 50 0 GKAARO C[C@@H](C[NH+](Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccccc1Cl ZINC000057222620 570701917 /nfs/dbraw/zinc/70/19/17/570701917.db2.gz IKYUAVBPKPMSMZ-IBGZPJMESA-N 1 0 393.914 5.588 50 0 GKAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000012711733 570702485 /nfs/dbraw/zinc/70/24/85/570702485.db2.gz TUJQLMIDJXOYAJ-KRWDZBQOSA-N 1 0 382.426 5.060 50 0 GKAARO Clc1ccc(CNc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000057576159 570702611 /nfs/dbraw/zinc/70/26/11/570702611.db2.gz LLAONCZFIOOLBA-UHFFFAOYSA-N 1 0 391.946 5.274 50 0 GKAARO Fc1ccc([C@H]([NH2+]C2CCCCCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000006916631 570703231 /nfs/dbraw/zinc/70/32/31/570703231.db2.gz POKQDNQWFJFPTO-NRFANRHFSA-N 1 0 379.479 5.668 50 0 GKAARO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1 ZINC000017315170 570703486 /nfs/dbraw/zinc/70/34/86/570703486.db2.gz DOMFHQNAJIZMHP-OAHLLOKOSA-N 1 0 399.321 6.097 50 0 GKAARO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1 ZINC000017315431 570703494 /nfs/dbraw/zinc/70/34/94/570703494.db2.gz RHIKKIUBHCLXMB-MRXNPFEDSA-N 1 0 390.437 5.063 50 0 GKAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000017314994 570703564 /nfs/dbraw/zinc/70/35/64/570703564.db2.gz PNGNJVMRXCZHLZ-AWEZNQCLSA-N 1 0 388.342 5.706 50 0 GKAARO Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(C)c(C)c3)sc2c(C)c1 ZINC000004359808 570706313 /nfs/dbraw/zinc/70/63/13/570706313.db2.gz FUUNSLJFFLFMIC-UHFFFAOYSA-N 1 0 395.572 5.128 50 0 GKAARO COc1cccc([C@@H]2C[NH2+][C@]3(CCC[C@H](C)C3)c3[nH]c4ccccc4c32)c1OC ZINC000006935465 570714308 /nfs/dbraw/zinc/71/43/08/570714308.db2.gz XPSNBHFIESOOFX-GIIVHJRKSA-N 1 0 390.527 5.326 50 0 GKAARO Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000017794262 570714900 /nfs/dbraw/zinc/71/49/00/570714900.db2.gz CYDZCSHQCALWAZ-NRFANRHFSA-N 1 0 390.458 5.066 50 0 GKAARO Clc1c2ccccc2sc1-c1nnc2sc(C[NH+]3CCCCC3)cn21 ZINC000004393874 570729950 /nfs/dbraw/zinc/72/99/50/570729950.db2.gz GRDOQQXBBNZGCZ-UHFFFAOYSA-N 1 0 388.949 5.312 50 0 GKAARO CC(C)(C)[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)c1cccs1 ZINC000058429997 570732971 /nfs/dbraw/zinc/73/29/71/570732971.db2.gz FLYPZCHICKQBEE-QGZVFWFLSA-N 1 0 396.350 5.159 50 0 GKAARO C[C@@H]1CCC[N@@H+]([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000013039154 570743242 /nfs/dbraw/zinc/74/32/42/570743242.db2.gz XLHQGNYHSBLDPS-AUUYWEPGSA-N 1 0 377.315 5.405 50 0 GKAARO CCCC[C@]1(O)C[C@H](c2ccc(OC)cc2)[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]1C ZINC000013574171 570759682 /nfs/dbraw/zinc/75/96/82/570759682.db2.gz UJRIBUDZMNUBLS-YABBVRICSA-N 1 0 383.532 5.037 50 0 GKAARO COc1ccc2cc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)[nH]c2c1 ZINC000032760638 570795551 /nfs/dbraw/zinc/79/55/51/570795551.db2.gz HYUZVXVXVWWQAB-UHFFFAOYSA-N 1 0 391.515 5.193 50 0 GKAARO CC(C)CCN(C(=S)Nc1ccc(C(C)C)cc1)C1CC[NH+](C(C)C)CC1 ZINC000004669325 570813603 /nfs/dbraw/zinc/81/36/03/570813603.db2.gz MEDMDKJMOJWMSS-UHFFFAOYSA-N 1 0 389.653 5.728 50 0 GKAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccc(OC(C)(C)C)cc1)c1ccco1 ZINC000001867422 570821813 /nfs/dbraw/zinc/82/18/13/570821813.db2.gz CJTNIERBJTVLAU-QFIPXVFZSA-N 1 0 393.527 5.777 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2cc(F)ccc2F)[C@H](C)C(C)C)c1 ZINC000004507106 570823430 /nfs/dbraw/zinc/82/34/30/570823430.db2.gz FRWGCJXUAGWCPG-HXUWFJFHSA-N 1 0 396.525 6.170 50 0 GKAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1ccc(Cl)cc1 ZINC000004678189 570823750 /nfs/dbraw/zinc/82/37/50/570823750.db2.gz SUGNCRVZZFKTQD-UHFFFAOYSA-N 1 0 376.685 5.115 50 0 GKAARO COc1ccc(-c2c[nH+]c(NCc3ccc(OCc4ccccc4)cc3)n2C)cc1 ZINC000004678434 570824339 /nfs/dbraw/zinc/82/43/39/570824339.db2.gz FOMXKTIEXNITQM-UHFFFAOYSA-N 1 0 399.494 5.287 50 0 GKAARO Cc1ccc(-c2c[nH+]c(NCc3cccc(OCc4ccccc4)c3)n2C)cc1 ZINC000004678506 570824623 /nfs/dbraw/zinc/82/46/23/570824623.db2.gz XEHOUKBTXIMHCQ-UHFFFAOYSA-N 1 0 383.495 5.587 50 0 GKAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(OCc2ccccc2)cc1 ZINC000004678498 570824647 /nfs/dbraw/zinc/82/46/47/570824647.db2.gz HMODMRZJMYSIAH-UHFFFAOYSA-N 1 0 387.458 5.417 50 0 GKAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(Cl)c3Cl)n2C)cc1 ZINC000004678745 570824925 /nfs/dbraw/zinc/82/49/25/570824925.db2.gz DXGJQGOZUXSFHW-UHFFFAOYSA-N 1 0 376.287 5.405 50 0 GKAARO COc1ccc(-c2c[nH+]c(NCc3cccc(Oc4ccccc4)c3)n2C)cc1 ZINC000004678553 570824990 /nfs/dbraw/zinc/82/49/90/570824990.db2.gz IMLOWBBSIFQEML-UHFFFAOYSA-N 1 0 385.467 5.500 50 0 GKAARO Fc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(F)c1 ZINC000065521071 570829306 /nfs/dbraw/zinc/82/93/06/570829306.db2.gz DYOWYLKHIFRGAC-UHFFFAOYSA-N 1 0 375.422 5.107 50 0 GKAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000102096953 570841181 /nfs/dbraw/zinc/84/11/81/570841181.db2.gz DWMBLMXBAOMOLC-WKAQUBQDSA-N 1 0 385.551 5.852 50 0 GKAARO CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC21CCCCC1 ZINC000102659752 570855967 /nfs/dbraw/zinc/85/59/67/570855967.db2.gz UXVFRDMXANKZRA-UHFFFAOYSA-N 1 0 378.476 5.385 50 0 GKAARO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000003332762 570857998 /nfs/dbraw/zinc/85/79/98/570857998.db2.gz LNWYFYUFVULNMQ-SFHVURJKSA-N 1 0 396.840 5.571 50 0 GKAARO COc1ccccc1[C@]1(CC[NH2+][C@H](C)c2ccccc2)CCO[C@H](C(C)C)C1 ZINC000102771914 570861350 /nfs/dbraw/zinc/86/13/50/570861350.db2.gz GGDMXKFAUIDFMO-DCEDVJGZSA-N 1 0 381.560 5.509 50 0 GKAARO CC(C)CC[C@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 ZINC000102777351 570861687 /nfs/dbraw/zinc/86/16/87/570861687.db2.gz PGUXKYVXWOCCMQ-NRSPTQNISA-N 1 0 380.016 6.638 50 0 GKAARO NC(=[NH2+])SCc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000004724980 570865504 /nfs/dbraw/zinc/86/55/04/570865504.db2.gz GZUGQLGJPDNUSC-UHFFFAOYSA-N 1 0 384.508 5.333 50 0 GKAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH2+]Cc2ccccc2OC)cc1 ZINC000015071988 570877469 /nfs/dbraw/zinc/87/74/69/570877469.db2.gz SFJYECLANNRDSI-UHFFFAOYSA-N 1 0 398.506 5.517 50 0 GKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)c(C)o2)cc1OC ZINC000015072686 570877819 /nfs/dbraw/zinc/87/78/19/570877819.db2.gz KBUOETHZDPGIJY-HXUWFJFHSA-N 1 0 392.499 5.047 50 0 GKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc4ccccc42)N3)C1 ZINC000004554054 570880686 /nfs/dbraw/zinc/88/06/86/570880686.db2.gz PBWSVEWLPPFWDO-FQEVSTJZSA-N 1 0 377.513 5.097 50 0 GKAARO Cc1cccc(CN2CCCN(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)c1 ZINC000103623884 570887421 /nfs/dbraw/zinc/88/74/21/570887421.db2.gz ZJRUVNMSZWCBFM-RUZDIDTESA-N 1 0 392.493 5.680 50 0 GKAARO Cn1cc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c2ccccc21 ZINC000032900671 570894919 /nfs/dbraw/zinc/89/49/19/570894919.db2.gz AGPGUOOAQZOSQZ-UHFFFAOYSA-N 1 0 375.516 5.195 50 0 GKAARO Cc1ccc([C@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CCC3)cc1 ZINC000104139445 570895894 /nfs/dbraw/zinc/89/58/94/570895894.db2.gz WBGQOEMSRHZQDS-HXUWFJFHSA-N 1 0 388.496 5.565 50 0 GKAARO Cc1[nH]c2ccc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)cc2c1C ZINC000032904221 570902044 /nfs/dbraw/zinc/90/20/44/570902044.db2.gz QAEDCTLXQUCPFE-UHFFFAOYSA-N 1 0 389.543 5.802 50 0 GKAARO CC[N@H+](CC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000004025688 570904075 /nfs/dbraw/zinc/90/40/75/570904075.db2.gz LFAXYRWVLVHNNF-SANMLTNESA-N 1 0 395.587 5.725 50 0 biogenic GKAARO CC[N@H+](CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000004026964 570907474 /nfs/dbraw/zinc/90/74/74/570907474.db2.gz YKCUWIVBCFMJNZ-NOZRDPDXSA-N 1 0 395.587 5.896 50 0 biogenic GKAARO CCCC[C@@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004584026 570916020 /nfs/dbraw/zinc/91/60/20/570916020.db2.gz RHGGWJQVSQESND-CLJLJLNGSA-N 1 0 395.587 5.733 50 0 GKAARO C[N@H+]1C/C(=C/c2ccccc2)C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000051330317 570927766 /nfs/dbraw/zinc/92/77/66/570927766.db2.gz GTJXVFHOQFLCHN-QFRRFLDLSA-N 1 0 379.507 5.249 50 0 GKAARO CC(C)CC[C@]1(CC[NH2+]Cc2ccc(OC(C)C)cc2)CCO[C@@H](C(C)C)C1 ZINC000004073206 570929842 /nfs/dbraw/zinc/92/98/42/570929842.db2.gz ZMTXXFIESDXAOJ-RPBOFIJWSA-N 1 0 389.624 6.211 50 0 biogenic GKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(OC(C)C)cc2)(CCC(C)C)CCO1 ZINC000004073316 570930312 /nfs/dbraw/zinc/93/03/12/570930312.db2.gz ZTDVYEQPAGWHGG-RPBOFIJWSA-N 1 0 389.624 6.355 50 0 biogenic GKAARO CCCCCCOc1ccc(N[N+](=O)c2ccc(OCCCCCC)cc2)cc1 ZINC000086863094 570942576 /nfs/dbraw/zinc/94/25/76/570942576.db2.gz DFMLGFYVUNKIPY-UHFFFAOYSA-N 1 0 399.555 7.042 50 0 GKAARO COc1ccccc1[C@H](CC[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000004120543 570959214 /nfs/dbraw/zinc/95/92/14/570959214.db2.gz LEYZFLIHBYLOSI-KSEOMHKRSA-N 1 0 381.560 5.725 50 0 GKAARO CC1(C)C[C@@H]([NH2+]CC[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CCO1 ZINC000032100133 570959596 /nfs/dbraw/zinc/95/95/96/570959596.db2.gz WWBPCYAMDXTOLI-LEWJYISDSA-N 1 0 375.915 5.548 50 0 GKAARO CC1(C)C[C@H]([NH2+]CC[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CCO1 ZINC000032100136 570959866 /nfs/dbraw/zinc/95/98/66/570959866.db2.gz WWBPCYAMDXTOLI-NHCUHLMSSA-N 1 0 375.915 5.548 50 0 GKAARO Clc1cccc(C[NH+]2CCC(Nc3ccc(Br)cc3)CC2)c1 ZINC000004749413 570961498 /nfs/dbraw/zinc/96/14/98/570961498.db2.gz MRCYPZGJJFTOSN-UHFFFAOYSA-N 1 0 379.729 5.179 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2F)[C@H](C)C(C)C)c1 ZINC000004379066 570964248 /nfs/dbraw/zinc/96/42/48/570964248.db2.gz ITZBEKRIBFDVOD-OAQYLSRUSA-N 1 0 378.535 6.031 50 0 GKAARO CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc(OC)c(F)c1 ZINC000007607223 570998548 /nfs/dbraw/zinc/99/85/48/570998548.db2.gz GHBVFNGOBZDTPG-UHFFFAOYSA-N 1 0 392.474 5.109 50 0 GKAARO CC[C@@H](c1ccc(OCC[NH+]2CCCC2)cc1)[C@H](CC)c1ccc(OC)cc1 ZINC000004887783 571005250 /nfs/dbraw/zinc/00/52/50/571005250.db2.gz GZJPIRRWLBXFSZ-RPBOFIJWSA-N 1 0 381.560 5.857 50 0 GKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)c(OC)c1 ZINC000037523152 571024564 /nfs/dbraw/zinc/02/45/64/571024564.db2.gz TXOHAZKJUYRHBU-VWLOTQADSA-N 1 0 390.527 5.117 50 0 GKAARO O=C(c1cccs1)N(c1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037559513 571031322 /nfs/dbraw/zinc/03/13/22/571031322.db2.gz ZMJCCXPRCGBVJV-UHFFFAOYSA-N 1 0 394.515 5.199 50 0 GKAARO CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037560321 571031769 /nfs/dbraw/zinc/03/17/69/571031769.db2.gz NCMCDGIPJHJHSG-UHFFFAOYSA-N 1 0 386.486 5.009 50 0 GKAARO COc1cccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000037570523 571032750 /nfs/dbraw/zinc/03/27/50/571032750.db2.gz IENAGYPLYBQIKJ-UHFFFAOYSA-N 1 0 394.559 5.047 50 0 GKAARO CC(C)[C@H]([NH2+][C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1)c1ccccc1 ZINC000012786584 571039385 /nfs/dbraw/zinc/03/93/85/571039385.db2.gz XHWOGEAKYCOZDM-LIRRHRJNSA-N 1 0 393.512 5.293 50 0 GKAARO C[C@@H](c1ccc(-c2cnn3cc(-c4ccncc4)cnc23)cc1)[NH+]1CCCCC1 ZINC000426389521 231212676 /nfs/dbraw/zinc/21/26/76/231212676.db2.gz WCWKYBLKQYCQNJ-SFHVURJKSA-N 1 0 383.499 5.005 50 0 GKAARO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1Cl ZINC000017314508 210208998 /nfs/dbraw/zinc/20/89/98/210208998.db2.gz IOHVMGWAEVCQAL-HNNXBMFYSA-N 1 0 399.321 6.097 50 0 GKAARO CCc1c(C)sc2c1CC[N@H+](Cc1cccc(Cl)c1)[C@@H]2c1ccccc1 ZINC000015864893 210175549 /nfs/dbraw/zinc/17/55/49/210175549.db2.gz XAOMAKOYSGFEKV-JOCHJYFZSA-N 1 0 381.972 6.420 50 0 GKAARO CCOc1ccc(-c2c(C)n3c([n+]2-c2ccc(OCC)cc2)CCCCC3)cc1 ZINC000015685063 210163736 /nfs/dbraw/zinc/16/37/36/210163736.db2.gz AUXWMZJCOLGAIC-UHFFFAOYSA-N 1 0 391.535 5.264 50 0 GKAARO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 ZINC000012909016 210025997 /nfs/dbraw/zinc/02/59/97/210025997.db2.gz AKNUJTIPZINJRA-QWHCGFSZSA-N 1 0 391.298 5.268 50 0 GKAARO COC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)C1 ZINC000012055162 209901813 /nfs/dbraw/zinc/90/18/13/209901813.db2.gz QSGYHQDBFLOTGH-LJQANCHMSA-N 1 0 376.500 5.175 50 0 GKAARO COc1ccc([C@](O)(CCC(C)C)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744306 209677922 /nfs/dbraw/zinc/67/79/22/209677922.db2.gz LQTRUZIZCSVCCE-IZZNHLLZSA-N 1 0 395.587 5.589 50 0 GKAARO CCCCn1c(-c2ccc(OCC)cc2)c[nH+]c1NCc1cccc(Cl)c1 ZINC000004679410 209510003 /nfs/dbraw/zinc/51/00/03/209510003.db2.gz NXXZMTLJMWCFKA-UHFFFAOYSA-N 1 0 383.923 6.014 50 0 GKAARO Cc1ccc(C)c(C[NH+]2CCC(c3cc(-c4cccc5ccccc54)n[nH]3)CC2)c1 ZINC000004024185 209459754 /nfs/dbraw/zinc/45/97/54/209459754.db2.gz VARPPGRYRXYLMU-UHFFFAOYSA-N 1 0 395.550 6.226 50 0 GKAARO CCC[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000003440212 209436709 /nfs/dbraw/zinc/43/67/09/209436709.db2.gz AGQLYJCLKLLNDY-NOZRDPDXSA-N 1 0 375.512 5.224 50 0 GKAARO CCCCOc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000002893777 209395831 /nfs/dbraw/zinc/39/58/31/209395831.db2.gz DWRTZTCCOSEOBJ-UHFFFAOYSA-N 1 0 392.465 5.207 50 0 GKAARO CCCC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000002846029 209391802 /nfs/dbraw/zinc/39/18/02/209391802.db2.gz AKYFKJGOZDEYIR-UHFFFAOYSA-N 1 0 396.300 5.066 50 0 GKAARO S=C(Nc1ccc(C[NH+]2CCCCC2)cc1)Nc1cccc(Cl)c1Cl ZINC000002856928 209391123 /nfs/dbraw/zinc/39/11/23/209391123.db2.gz HDFDCEHYEHBJDK-UHFFFAOYSA-N 1 0 394.371 5.788 50 0 GKAARO CN(C(=O)OCc1ccccc1)[C@H](CC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000002580962 209369274 /nfs/dbraw/zinc/36/92/74/209369274.db2.gz KXZRQSGJMOGMSI-OAQYLSRUSA-N 1 0 386.923 5.136 50 0 GKAARO c1ccc(COc2ccc(C[NH2+]C(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000002177937 209348629 /nfs/dbraw/zinc/34/86/29/209348629.db2.gz QUFUABQHBYFNQH-UHFFFAOYSA-N 1 0 379.503 6.145 50 0 GKAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1cccs1 ZINC000002196036 209349457 /nfs/dbraw/zinc/34/94/57/209349457.db2.gz POZRFDUODLIBNI-UHFFFAOYSA-N 1 0 392.524 5.149 50 0 GKAARO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000002098922 209346451 /nfs/dbraw/zinc/34/64/51/209346451.db2.gz YHYQZSVKBBWONV-RJNQYJQCSA-N 1 0 391.555 5.467 50 0 biogenic,in-vitro GKAARO Cc1ccc([C@@]2(CC[NH2+][C@@H](C)c3ccc(Cl)cc3)CCOC(C)(C)C2)cc1 ZINC000001902139 209342629 /nfs/dbraw/zinc/34/26/29/209342629.db2.gz AEDWQBNLDJFNFG-CYFREDJKSA-N 1 0 385.979 6.216 50 0 GKAARO CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cccc2ccccc21 ZINC000001774715 212256164 /nfs/dbraw/zinc/25/61/64/212256164.db2.gz SJSRTHULBJTROI-UHFFFAOYSA-N 1 0 386.451 5.707 50 0 GKAARO CCc1ccc2nc(N(CC[NH+](CC)CC)C(=O)c3ccc(C)cc3)sc2c1 ZINC000010066606 212237755 /nfs/dbraw/zinc/23/77/55/212237755.db2.gz BKUGBIVLMSXUOB-UHFFFAOYSA-N 1 0 395.572 5.156 50 0 GKAARO c1c(-c2cccc3ccccc32)nc2n1c1ccccc1n2CC[NH+]1CCCCC1 ZINC000001294950 212233420 /nfs/dbraw/zinc/23/34/20/212233420.db2.gz GWVOALUHFPPKOW-UHFFFAOYSA-N 1 0 394.522 5.595 50 0 GKAARO C[N@@H+]1[C@H](CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2CC1(C)C ZINC000000813342 212183742 /nfs/dbraw/zinc/18/37/42/212183742.db2.gz KYSHZPJVXBNION-GOSISDBHSA-N 1 0 377.315 5.330 50 0 GKAARO C[C@@H]1C[C@@H](C)C[NH+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000034896589 212177705 /nfs/dbraw/zinc/17/77/05/212177705.db2.gz VHEQVJXZOYORGL-SXGZJXTBSA-N 1 0 391.342 5.651 50 0 GKAARO Cc1c(C)n(C[C@H](O)C[NH+](C2CCCCC2)C2CCCCC2)c2ccccc12 ZINC000000707010 212175816 /nfs/dbraw/zinc/17/58/16/212175816.db2.gz HHKHHPHWACXUFU-QHCPKHFHSA-N 1 0 382.592 5.586 50 0 GKAARO Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000646180 212168204 /nfs/dbraw/zinc/16/82/04/212168204.db2.gz BGOMNXYIVFEFTG-HHHXNRCGSA-N 1 0 395.550 5.915 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000004027185 212146263 /nfs/dbraw/zinc/14/62/63/212146263.db2.gz QSHBTIIFXSODCK-FGZHOGPDSA-N 1 0 397.559 5.173 50 0 biogenic GKAARO Cc1oc2cc(OCC[NH+]3CCCCC3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000006760766 212148016 /nfs/dbraw/zinc/14/80/16/212148016.db2.gz MGJLWPVLIOJXIA-UHFFFAOYSA-N 1 0 397.902 5.287 50 0 GKAARO CCc1ccc2[nH]c(C)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000008714142 212148103 /nfs/dbraw/zinc/14/81/03/212148103.db2.gz ARAAOIZWRORVCN-UHFFFAOYSA-N 1 0 396.534 6.014 50 0 GKAARO Clc1ccc([C@@H]2[C@H]3CCCC[C@@]3([NH+]3CCCC3)ON2c2ccccc2)cc1 ZINC000017194231 212111224 /nfs/dbraw/zinc/11/12/24/212111224.db2.gz VTHPIPJKAPTIFC-DNVJHFABSA-N 1 0 382.935 5.815 50 0 GKAARO Cc1cc2c(cc1C)[n+](Cc1c(Cl)cccc1Cl)cn2Cc1ccccc1 ZINC000004542253 212079206 /nfs/dbraw/zinc/07/92/06/212079206.db2.gz HTAHSPPYSIUOPL-UHFFFAOYSA-N 1 0 396.341 5.949 50 0 GKAARO Cc1c([C@H](C)[NH2+]Cc2ccc3nsnc3c2)cnn1-c1cccc2ccccc21 ZINC000055089952 212059721 /nfs/dbraw/zinc/05/97/21/212059721.db2.gz USCLMIRYKSBDHV-HNNXBMFYSA-N 1 0 399.523 5.189 50 0 GKAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCCC3)CC2)cc1Cl ZINC000003058461 203984103 /nfs/dbraw/zinc/98/41/03/203984103.db2.gz IZPGMEGRNFAJDK-UHFFFAOYSA-N 1 0 380.001 5.074 50 0 GKAARO C[C@@H]([NH2+]C1CCCCCCC1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000003185836 203989162 /nfs/dbraw/zinc/98/91/62/203989162.db2.gz HVMQQUKYXHKFPV-LJQANCHMSA-N 1 0 380.532 5.295 50 0 GKAARO CN(C(=O)OCc1ccccc1)[C@@H](CC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000004289974 204037062 /nfs/dbraw/zinc/03/70/62/204037062.db2.gz KXZRQSGJMOGMSI-NRFANRHFSA-N 1 0 386.923 5.136 50 0 GKAARO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000003360779 204001513 /nfs/dbraw/zinc/00/15/13/204001513.db2.gz KSXPODSHLPIUAI-LJQANCHMSA-N 1 0 377.315 5.596 50 0 GKAARO Fc1ccccc1COc1ccccc1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000003388246 204002591 /nfs/dbraw/zinc/00/25/91/204002591.db2.gz NNLQXYKFJIZJEJ-UHFFFAOYSA-N 1 0 397.493 6.284 50 0 GKAARO Cc1cccc(C)c1NC(=S)N(CCC[NH+]1CCCC1)Cc1cccs1 ZINC000003665607 204018888 /nfs/dbraw/zinc/01/88/88/204018888.db2.gz MVZKMLRXHMPKKF-UHFFFAOYSA-N 1 0 387.618 5.050 50 0 GKAARO [NH3+]CCS[C@]12CCCC[C@@H]1[C@@H](c1ccccc1)C=C(c1ccccc1)S2 ZINC000004100026 204026588 /nfs/dbraw/zinc/02/65/88/204026588.db2.gz LABKZFATWSYIPM-XPNTWCBSSA-N 1 0 381.610 6.137 50 0 GKAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000004725524 204069211 /nfs/dbraw/zinc/06/92/11/204069211.db2.gz QAWQSMIOTAXZHK-UHFFFAOYSA-N 1 0 398.978 5.381 50 0 GKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)cc2)(c2ccc(F)cc2)CCO1 ZINC000004844250 204082196 /nfs/dbraw/zinc/08/21/96/204082196.db2.gz VTBRVNHCNHSWKA-DNQXCXABSA-N 1 0 385.523 5.231 50 0 GKAARO COc1cccc(Cn2cccc2C[N@@H+](Cc2ccccc2C)CC(C)C)c1 ZINC000004422301 204045150 /nfs/dbraw/zinc/04/51/50/204045150.db2.gz DEESAFMUWHASPA-UHFFFAOYSA-N 1 0 376.544 5.512 50 0 GKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)N3)C1 ZINC000004555242 204053165 /nfs/dbraw/zinc/05/31/65/204053165.db2.gz AGQLNAVYWDFQMX-MRXNPFEDSA-N 1 0 396.343 5.250 50 0 GKAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555382 204053342 /nfs/dbraw/zinc/05/33/42/204053342.db2.gz DWMBLMXBAOMOLC-LGTXBLIGSA-N 1 0 385.551 5.852 50 0 GKAARO CCCC[C@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004584031 204056053 /nfs/dbraw/zinc/05/60/53/204056053.db2.gz RHGGWJQVSQESND-FTJBHMTQSA-N 1 0 395.587 5.733 50 0 GKAARO CC(C)c1ccc(CNc2[nH+]cc(-c3ccc(-c4ccccc4)cc3)n2C)cc1 ZINC000004678661 204063626 /nfs/dbraw/zinc/06/36/26/204063626.db2.gz TUJCVENZQMIXEO-UHFFFAOYSA-N 1 0 381.523 6.490 50 0 GKAARO CCC[NH+](CCC)CCCNC(=O)C[C@@H](c1ccc(OC(C)C)cc1)C(C)C ZINC000005303164 204125017 /nfs/dbraw/zinc/12/50/17/204125017.db2.gz XBIFVFLSCUABKM-HSZRJFAPSA-N 1 0 390.612 5.232 50 0 GKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)cc2)(c2ccc(OC)cc2)CCO1 ZINC000004951082 204096020 /nfs/dbraw/zinc/09/60/20/204096020.db2.gz RZCWUQPCGKDIRD-DQEYMECFSA-N 1 0 397.559 5.101 50 0 GKAARO COc1cc(C[NH2+]C2CCCC2)c(Br)cc1OCc1ccccc1 ZINC000005013874 204102449 /nfs/dbraw/zinc/10/24/49/204102449.db2.gz BFKAICFFJPFIJW-UHFFFAOYSA-N 1 0 390.321 5.069 50 0 GKAARO COc1ccccc1[C@@]1(CC[NH2+]Cc2ccccc2F)CCO[C@@H](C(C)C)C1 ZINC000005025033 204103603 /nfs/dbraw/zinc/10/36/03/204103603.db2.gz KCYOBLYWPXGPGW-RPWUZVMVSA-N 1 0 385.523 5.087 50 0 GKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccc4ccccc4c2)[C@@H]3CCC1 ZINC000005032481 204104911 /nfs/dbraw/zinc/10/49/11/204104911.db2.gz SBUWIXOOCSFQCW-AREMUKBSSA-N 1 0 380.535 6.386 50 0 GKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)-c1c(C)cccc1OC2 ZINC000005048726 204107324 /nfs/dbraw/zinc/10/73/24/204107324.db2.gz SNPZAPUHUAJKBU-GOSISDBHSA-N 1 0 398.572 5.000 50 0 GKAARO CC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005478456 204134809 /nfs/dbraw/zinc/13/48/09/204134809.db2.gz JGIRVNFRZIMTDY-NRFANRHFSA-N 1 0 395.934 5.004 50 0 GKAARO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[N@@H+]4CCCC[C@@H]4C)cc3)sc2c1 ZINC000035262632 204135519 /nfs/dbraw/zinc/13/55/19/204135519.db2.gz QEFAAMBTSZPXTO-DLBZAZTESA-N 1 0 393.556 5.473 50 0 GKAARO CC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000005500114 204135831 /nfs/dbraw/zinc/13/58/31/204135831.db2.gz XHGFEMPMNKWHTG-NRFANRHFSA-N 1 0 395.934 5.004 50 0 GKAARO Cc1nn2c(nc(C(C)(C)C)cc2NCCC[NH+](C)C)c1-c1ccc(Cl)cc1 ZINC000005556989 204140233 /nfs/dbraw/zinc/14/02/33/204140233.db2.gz BMMIYECTMFNDOB-UHFFFAOYSA-N 1 0 399.970 5.019 50 0 GKAARO Cc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000005683746 204146529 /nfs/dbraw/zinc/14/65/29/204146529.db2.gz HQROCMGLMHNGDK-HHHXNRCGSA-N 1 0 397.542 5.312 50 0 GKAARO CCc1cccc2c([C@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)C(C)C)c[nH]c21 ZINC000006872517 204217850 /nfs/dbraw/zinc/21/78/50/204217850.db2.gz NAWPHESYOOVGLY-DENIHFKCSA-N 1 0 399.623 5.487 50 0 GKAARO CCCCC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744279 204198338 /nfs/dbraw/zinc/19/83/38/204198338.db2.gz SVRFXBVYYZARBQ-IZZNHLLZSA-N 1 0 395.587 5.733 50 0 GKAARO CCC[C@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744197 204198587 /nfs/dbraw/zinc/19/85/87/204198587.db2.gz VSKNFEHZNIYSTK-DQEYMECFSA-N 1 0 381.560 5.343 50 0 GKAARO Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008310752 204270359 /nfs/dbraw/zinc/27/03/59/204270359.db2.gz OMSFLHPWWXBIRD-UHFFFAOYSA-N 1 0 382.891 5.287 50 0 GKAARO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(OCC)c(OCC)c2)cc1OC ZINC000008395289 204275426 /nfs/dbraw/zinc/27/54/26/204275426.db2.gz BAELZLKBPNWFDX-QGZVFWFLSA-N 1 0 387.520 5.132 50 0 GKAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c(C)c1 ZINC000011753883 204352700 /nfs/dbraw/zinc/35/27/00/204352700.db2.gz GSVAJSBTMNMUKN-QFIPXVFZSA-N 1 0 394.559 5.067 50 0 GKAARO O=C(c1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000011817496 204354305 /nfs/dbraw/zinc/35/43/05/204354305.db2.gz COMNVYYZHKSBLL-QFIPXVFZSA-N 1 0 380.491 5.483 50 0 GKAARO COc1ccc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)c2ccccc12 ZINC000011839045 204356323 /nfs/dbraw/zinc/35/63/23/204356323.db2.gz BPFWDHSYOCIYLU-MRXNPFEDSA-N 1 0 389.474 5.332 50 0 GKAARO Fc1ccc(-n2cc(C[NH2+]Cc3cccnc3)c(-c3ccccc3Cl)n2)cc1 ZINC000011821829 204356531 /nfs/dbraw/zinc/35/65/31/204356531.db2.gz CJJBGCQDKPSUFN-UHFFFAOYSA-N 1 0 392.865 5.017 50 0 GKAARO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000011843762 204357252 /nfs/dbraw/zinc/35/72/52/204357252.db2.gz BMRCVRWWKJXFMI-KRWDZBQOSA-N 1 0 391.563 5.028 50 0 GKAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1)Nc1ccccc1F ZINC000011934864 204362545 /nfs/dbraw/zinc/36/25/45/204362545.db2.gz HHOVNNGBIJEGAR-AWEZNQCLSA-N 1 0 380.916 5.172 50 0 GKAARO CSc1ccc2cc(C[NH2+]CCCn3ccnc3)c(-c3cccs3)nc2c1 ZINC000012246587 204386040 /nfs/dbraw/zinc/38/60/40/204386040.db2.gz PEVOFDCJRQEGFT-UHFFFAOYSA-N 1 0 394.569 5.062 50 0 GKAARO CC(=O)c1cccc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c1 ZINC000012303562 204392577 /nfs/dbraw/zinc/39/25/77/204392577.db2.gz PALOYKJVGKIIJH-QFIPXVFZSA-N 1 0 391.490 5.017 50 0 GKAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)c1 ZINC000036103967 205004732 /nfs/dbraw/zinc/00/47/32/205004732.db2.gz PYJXMTMLEXFLSG-VWLOTQADSA-N 1 0 377.503 5.048 50 0 GKAARO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000036348334 205013390 /nfs/dbraw/zinc/01/33/90/205013390.db2.gz WXIMNESFIMTSHK-RUZDIDTESA-N 1 0 388.555 5.790 50 0 GKAARO Cc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037522261 205027382 /nfs/dbraw/zinc/02/73/82/205027382.db2.gz SPMJZACFXJTMAR-QFIPXVFZSA-N 1 0 384.445 5.811 50 0 GKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)CC(C)C)c3ccc(C)cc3)CC2)cc1 ZINC000037560024 205028570 /nfs/dbraw/zinc/02/85/70/205028570.db2.gz FSHNAUFUKWNEJI-UHFFFAOYSA-N 1 0 378.560 5.347 50 0 GKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccccc3)CC2)cc1 ZINC000037560242 205029138 /nfs/dbraw/zinc/02/91/38/205029138.db2.gz YAJNILWXIUFBSL-UHFFFAOYSA-N 1 0 384.523 5.306 50 0 GKAARO C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)Cc1ccc(OC(F)F)cc1 ZINC000039985877 205045506 /nfs/dbraw/zinc/04/55/06/205045506.db2.gz ROTCXGBXILRXAU-UHFFFAOYSA-N 1 0 393.437 5.235 50 0 GKAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000043022933 205081616 /nfs/dbraw/zinc/08/16/16/205081616.db2.gz OCZBVWSYHBTDIZ-GOSISDBHSA-N 1 0 397.469 5.133 50 0 GKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(C)cc3)=NN12 ZINC000051330001 205132888 /nfs/dbraw/zinc/13/28/88/205132888.db2.gz DDNLDILWAAVVAZ-HSZRJFAPSA-N 1 0 389.543 5.049 50 0 GKAARO C[N@H+](CCOc1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000055392583 205149221 /nfs/dbraw/zinc/14/92/21/205149221.db2.gz OLOCIKCWZBQPDQ-UHFFFAOYSA-N 1 0 393.530 5.989 50 0 GKAARO c1c(C[NH2+][C@@H]2CCCc3ccccc32)c(-c2cccnc2)nn1-c1ccccc1 ZINC000058082394 205164689 /nfs/dbraw/zinc/16/46/89/205164689.db2.gz MPEARHYUFMLBBB-XMMPIXPASA-N 1 0 380.495 5.102 50 0 GKAARO Cc1cc2oc(=O)cc(C[NH2+]C(C)(C)c3ccc(Cl)c(Cl)c3)c2cc1C ZINC000058229756 205170108 /nfs/dbraw/zinc/17/01/08/205170108.db2.gz HSEBDVYNUWNBKX-UHFFFAOYSA-N 1 0 390.310 5.742 50 0 GKAARO c1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000055200069 209113040 /nfs/dbraw/zinc/11/30/40/209113040.db2.gz KRTPTIFSWFXFSA-XMMPIXPASA-N 1 0 377.576 5.129 50 0 GKAARO c1ccc(C[PH+](C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000066340054 205240604 /nfs/dbraw/zinc/24/06/04/205240604.db2.gz ANIAFEJRWQDKDV-UHFFFAOYSA-N 1 0 392.567 7.606 50 0 GKAARO COc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2C[NH+](C)C)cc1 ZINC000071405263 209110049 /nfs/dbraw/zinc/11/00/49/209110049.db2.gz MBWUWMKTUMKGNR-JOCHJYFZSA-N 1 0 377.509 5.254 50 0 GKAARO CCOC(=O)C(c1ccccc1)(c1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000071769332 205295703 /nfs/dbraw/zinc/29/57/03/205295703.db2.gz WQYRLUGDFUKNQQ-QHCPKHFHSA-N 1 0 391.555 5.190 50 0 GKAARO C[C@H](c1ccccn1)[N@H+](C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000072411257 205346395 /nfs/dbraw/zinc/34/63/95/205346395.db2.gz ZQKRPJYHBQMKJM-LJQANCHMSA-N 1 0 398.510 5.467 50 0 GKAARO Brc1csc(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000084605724 205395947 /nfs/dbraw/zinc/39/59/47/205395947.db2.gz GYWWOFSPXSMPIG-UHFFFAOYSA-N 1 0 398.329 5.139 50 0 GKAARO [NH3+]CCS[C@]12CCCC[C@H]1[C@H](c1ccccc1)C=C(c1ccccc1)S2 ZINC000102061683 205629325 /nfs/dbraw/zinc/62/93/25/205629325.db2.gz LABKZFATWSYIPM-FUDKSRODSA-N 1 0 381.610 6.137 50 0 GKAARO Cc1ccc(C[n+]2cn(Cc3ccc(Br)cc3)c3ccccc32)cc1 ZINC000252508260 206142919 /nfs/dbraw/zinc/14/29/19/206142919.db2.gz XILFBSYHMIAMCR-UHFFFAOYSA-N 1 0 392.320 5.096 50 0 GKAARO Cc1cc2oc(=O)cc(C[NH2+][C@@H](c3cccs3)C(C)(C)CO)c2cc1C(C)C ZINC000242317047 206129954 /nfs/dbraw/zinc/12/99/54/206129954.db2.gz YWWKWRHJKGUNGI-QFIPXVFZSA-N 1 0 399.556 5.136 50 0 GKAARO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@H]2C[C@@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 ZINC000253623583 206149662 /nfs/dbraw/zinc/14/96/62/206149662.db2.gz MVUKDQDMGIMFPT-MSSCTFIDSA-N 1 0 379.632 6.460 50 0 GKAARO C[C@H]1[C@H]2CC[C@H](C)C[N@@H+]2[C@@H]2C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000257348294 206182980 /nfs/dbraw/zinc/18/29/80/206182980.db2.gz DCQBOIHKCBTVFH-KMRLNFSDSA-N 1 0 397.647 5.943 50 0 GKAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000299787974 206190155 /nfs/dbraw/zinc/19/01/55/206190155.db2.gz UIYIPUJPQCVQRQ-UHFFFAOYSA-N 1 0 396.490 5.537 50 0 GKAARO CC1(C)C[C@H]([NH2+]Cc2cc3ccc(Cl)cc3nc2-c2ccsc2)CCO1 ZINC000299778686 206190279 /nfs/dbraw/zinc/19/02/79/206190279.db2.gz PLBBRMDIPRMHFV-GOSISDBHSA-N 1 0 386.948 5.664 50 0 GKAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccccc1)c1ccc(OC(C)C)cc1 ZINC000001835660 206292338 /nfs/dbraw/zinc/29/23/38/206292338.db2.gz MSYMTZURVQYITF-DEOSSOPVSA-N 1 0 389.539 5.794 50 0 biogenic GKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@H](C)c2cccs2)Cc2ccccc2)cc1 ZINC000002361149 211515085 /nfs/dbraw/zinc/51/50/85/211515085.db2.gz OOFXWIXJTQANAL-NFBKMPQASA-N 1 0 393.596 6.603 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000004027186 206293975 /nfs/dbraw/zinc/29/39/75/206293975.db2.gz QSHBTIIFXSODCK-FCHUYYIVSA-N 1 0 397.559 5.173 50 0 biogenic GKAARO c1c(-c2ccccc2)c2c(ncnc2NCc2ccccn2)n1-c1ccccc1 ZINC000001447530 206381823 /nfs/dbraw/zinc/38/18/23/206381823.db2.gz LYPSIHWXXTZFBP-UHFFFAOYSA-N 1 0 377.451 5.095 50 0 GKAARO CC[N@H+](C[C@@H](O)COc1ccc(-c2ccc(C)cc2)cc1C)C1CCCCC1 ZINC000003242601 206463514 /nfs/dbraw/zinc/46/35/14/206463514.db2.gz PASRRAMZSZERDM-XMMPIXPASA-N 1 0 381.560 5.365 50 0 GKAARO COc1cc(C[NH2+]Cc2ccc(-c3ccccc3F)s2)ccc1OC(F)F ZINC000097139556 211360807 /nfs/dbraw/zinc/36/08/07/211360807.db2.gz WEWHDJQSFINLCD-UHFFFAOYSA-N 1 0 393.430 5.454 50 0 GKAARO CSc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000096148333 211309879 /nfs/dbraw/zinc/30/98/79/211309879.db2.gz MYPVTSXGBOUIED-FQEVSTJZSA-N 1 0 383.561 5.229 50 0 GKAARO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(F)cc1C)c1cccc(C(F)(F)F)c1 ZINC000084771149 211176567 /nfs/dbraw/zinc/17/65/67/211176567.db2.gz RSQFCCPMEUASPS-GOSISDBHSA-N 1 0 382.401 5.175 50 0 GKAARO COc1ccc([C@H]2[NH2+]C[C@H](c3ccc(N(C)C)cc3)c3c4ccccc4[nH]c32)cc1 ZINC000083854277 211166050 /nfs/dbraw/zinc/16/60/50/211166050.db2.gz LQBLVWJDOSDWSD-RCZVLFRGSA-N 1 0 397.522 5.067 50 0 GKAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000067649467 211016042 /nfs/dbraw/zinc/01/60/42/211016042.db2.gz QQTLWBQTDORHBD-UHFFFAOYSA-N 1 0 386.801 5.151 50 0 GKAARO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000012534897 206908790 /nfs/dbraw/zinc/90/87/90/206908790.db2.gz YOFIIIZNPROVKG-FQEVSTJZSA-N 1 0 399.538 5.243 50 0 GKAARO COc1ccc(C[NH+](Cc2ccc(OC)cc2)[C@H](C)CCc2ccccc2)cc1 ZINC000044126535 210810817 /nfs/dbraw/zinc/81/08/17/210810817.db2.gz UXYLEYRNMKACDU-OAQYLSRUSA-N 1 0 389.539 5.727 50 0 GKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](CC(C)(C)C)C2)cc1 ZINC000014964447 207034365 /nfs/dbraw/zinc/03/43/65/207034365.db2.gz CYTMGDNATAILEF-LJQANCHMSA-N 1 0 380.532 5.059 50 0 GKAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000014978773 207036365 /nfs/dbraw/zinc/03/63/65/207036365.db2.gz DJKYNYLVBXMJOT-UHFFFAOYSA-N 1 0 394.902 5.086 50 0 GKAARO COc1ccc2cc(C[NH2+]CCc3cccc(F)c3)c(-c3ccsc3)nc2c1 ZINC000014993201 207039357 /nfs/dbraw/zinc/03/93/57/207039357.db2.gz LXZLOROTRYIFRT-UHFFFAOYSA-N 1 0 392.499 5.443 50 0 GKAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH2+][C@H](C)c2cccs2)cc1 ZINC000015003143 207039746 /nfs/dbraw/zinc/03/97/46/207039746.db2.gz GHCYTFLLXIMCEV-QGZVFWFLSA-N 1 0 388.536 6.131 50 0 GKAARO COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)c(C)c1C ZINC000015066372 207042032 /nfs/dbraw/zinc/04/20/32/207042032.db2.gz QGFJKMOQTLKISF-LJQANCHMSA-N 1 0 398.522 5.082 50 0 GKAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+]Cc1ccc(C)cc1 ZINC000017311325 207088571 /nfs/dbraw/zinc/08/85/71/207088571.db2.gz DKFPNVRUTNVKBV-UHFFFAOYSA-N 1 0 388.342 5.453 50 0 GKAARO Cc1cc(C)c(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c(C)c1 ZINC000019897179 207167711 /nfs/dbraw/zinc/16/77/11/207167711.db2.gz QZPDHIOGDDQVGR-UHFFFAOYSA-N 1 0 384.523 5.422 50 0 GKAARO Cc1scc(C[NH+]2CCN(Cc3ccccc3)CC2)c1-c1ccc(C)cc1 ZINC000020514450 207199139 /nfs/dbraw/zinc/19/91/39/207199139.db2.gz BWBXWDSMMUTIHL-UHFFFAOYSA-N 1 0 376.569 5.350 50 0 GKAARO FC(F)(F)Oc1ccc([C@H]2c3ccsc3CC[N@H+]2Cc2ccccc2)cc1 ZINC000020431982 207191593 /nfs/dbraw/zinc/19/15/93/207191593.db2.gz YXZYTPILCOZOFZ-FQEVSTJZSA-N 1 0 389.442 5.794 50 0 GKAARO FC(F)(F)c1ccnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020443484 207193076 /nfs/dbraw/zinc/19/30/76/207193076.db2.gz BBLHFNQYGNUTNT-UHFFFAOYSA-N 1 0 397.444 5.012 50 0 GKAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c(F)c1 ZINC000020997127 207222885 /nfs/dbraw/zinc/22/28/85/207222885.db2.gz ZQAXWPGQNXKPDE-AWEZNQCLSA-N 1 0 389.396 5.013 50 0 GKAARO Fc1ccc([C@@H](c2ccccc2)N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454873 207253425 /nfs/dbraw/zinc/25/34/25/207253425.db2.gz XXHZCEFLKKELQZ-AREMUKBSSA-N 1 0 399.513 5.214 50 0 GKAARO CCC(CC)C(=O)Nc1ccc2[nH]cc(CC[N@@H+]3CCc4ccccc4C3)c2c1 ZINC000022666471 207258994 /nfs/dbraw/zinc/25/89/94/207258994.db2.gz ACQJEHZHKRSTBK-UHFFFAOYSA-N 1 0 389.543 5.143 50 0 GKAARO COc1cc(C[NH2+][C@H](C)c2cccc3ccccc32)cc(Cl)c1OC(F)F ZINC000022787899 207261267 /nfs/dbraw/zinc/26/12/67/207261267.db2.gz HCZRPJSERJNCJH-CYBMUJFWSA-N 1 0 391.845 5.954 50 0 GKAARO c1c(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)noc1-c1ccccc1 ZINC000023935603 207284033 /nfs/dbraw/zinc/28/40/33/207284033.db2.gz QPMJTPHRAYCUPE-KRWDZBQOSA-N 1 0 375.497 5.331 50 0 GKAARO Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000023955913 207284318 /nfs/dbraw/zinc/28/43/18/207284318.db2.gz KOWKPXGAGYAEJM-INIZCTEOSA-N 1 0 393.487 5.470 50 0 GKAARO COc1cccc([C@@H](C[NH2+]Cc2ccc(C)o2)c2c[nH]c3ccccc32)c1OC ZINC000024527517 207291571 /nfs/dbraw/zinc/29/15/71/207291571.db2.gz GCHNEFGOZQFHKL-HXUWFJFHSA-N 1 0 390.483 5.008 50 0 GKAARO COc1cccc([C@H](C[NH2+]Cc2ccc(C)o2)c2c[nH]c3ccccc32)c1OC ZINC000024527520 207292255 /nfs/dbraw/zinc/29/22/55/207292255.db2.gz GCHNEFGOZQFHKL-FQEVSTJZSA-N 1 0 390.483 5.008 50 0 GKAARO C[N@H+](Cc1ccccc1NC(=O)CCc1c[nH]c2ccccc12)C1CCCCC1 ZINC000024777596 207294227 /nfs/dbraw/zinc/29/42/27/207294227.db2.gz KZPMLTJHFOGBRW-UHFFFAOYSA-N 1 0 389.543 5.504 50 0 GKAARO c1cc(-c2nc(C[NH2+][C@@H](Cc3ccccc3)c3ccccc3)cs2)cs1 ZINC000024734484 207294736 /nfs/dbraw/zinc/29/47/36/207294736.db2.gz BKMSZYDOPKMOHD-NRFANRHFSA-N 1 0 376.550 5.945 50 0 GKAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027581921 207327824 /nfs/dbraw/zinc/32/78/24/207327824.db2.gz YLJQUFHDBFLBAC-OAQYLSRUSA-N 1 0 394.490 5.146 50 0 GKAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028290783 207338892 /nfs/dbraw/zinc/33/88/92/207338892.db2.gz HYABQRKGFPWEHP-HXUWFJFHSA-N 1 0 396.506 5.211 50 0 GKAARO COc1ccc([C@H](C)[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)cc1F ZINC000030628212 210556038 /nfs/dbraw/zinc/55/60/38/210556038.db2.gz JBBRVRJTNWKNIJ-SFHVURJKSA-N 1 0 394.490 5.276 50 0 GKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000020875173 210364439 /nfs/dbraw/zinc/36/44/39/210364439.db2.gz FBUORJWUYSEKHU-QFIPXVFZSA-N 1 0 381.903 5.051 50 0 GKAARO Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000020785468 210360805 /nfs/dbraw/zinc/36/08/05/210360805.db2.gz NCLRZGJIQGFIEU-LJQANCHMSA-N 1 0 379.454 5.110 50 0 GKAARO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000020514935 210343399 /nfs/dbraw/zinc/34/33/99/210343399.db2.gz SNQAEAOGNJVGAT-UHFFFAOYSA-N 1 0 399.494 5.279 50 0 GKAARO FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CC[N@H+]2Cc2ccccc2)cc1 ZINC000020431984 210334534 /nfs/dbraw/zinc/33/45/34/210334534.db2.gz YXZYTPILCOZOFZ-HXUWFJFHSA-N 1 0 389.442 5.794 50 0 GKAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1)[C@H](O)c1ccccc1 ZINC000019872082 210304790 /nfs/dbraw/zinc/30/47/90/210304790.db2.gz BJMUGVJXKMIWFB-HXOBKFHXSA-N 1 0 381.903 5.131 50 0 GKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000005478523 208671869 /nfs/dbraw/zinc/67/18/69/208671869.db2.gz ALRXSUNDKMMOBS-RUZDIDTESA-N 1 0 377.503 5.925 50 0 GKAARO COc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 ZINC000002450316 220535520 /nfs/dbraw/zinc/53/55/20/220535520.db2.gz NBOHSATYJQEGLE-XDHUDOTRSA-N 1 0 397.921 6.361 50 0 GKAARO Cc1cc(C)c(NC(=S)N2CCC([N@@H+](C)C3CCCCCC3)CC2)c(C)c1 ZINC000003060986 220600860 /nfs/dbraw/zinc/60/08/60/220600860.db2.gz SIVSULIJGNIFOC-UHFFFAOYSA-N 1 0 387.637 5.428 50 0 GKAARO CC(=O)c1ccc(C(C)(C)C)cc1N[N+](=O)c1cc(C(C)(C)C)ccc1C(C)=O ZINC000334157471 209095994 /nfs/dbraw/zinc/09/59/94/209095994.db2.gz ISEBJKMTGSGGKW-UHFFFAOYSA-O 1 0 395.523 6.124 50 0 GKAARO O=C(c1ccccc1)N1CCC([N@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000004744047 220760012 /nfs/dbraw/zinc/76/00/12/220760012.db2.gz DBUYAPLCVJLLPS-UHFFFAOYSA-N 1 0 398.550 5.036 50 0 GKAARO COc1ccccc1[C@]1(CC[NH2+][C@@H](C)c2ccccc2)CCO[C@@H](C(C)C)C1 ZINC000005390652 220864542 /nfs/dbraw/zinc/86/45/42/220864542.db2.gz GGDMXKFAUIDFMO-BUUDZMLXSA-N 1 0 381.560 5.509 50 0 GKAARO C[C@@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@@H]2C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]21 ZINC000253614922 209043392 /nfs/dbraw/zinc/04/33/92/209043392.db2.gz JVKYZPBMZPJNAJ-NAZVTUIYSA-N 1 0 397.647 5.655 50 0 GKAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]C1CCCCCCC1 ZINC000007523402 220999572 /nfs/dbraw/zinc/99/95/72/220999572.db2.gz PYPZPVKTMPEZIY-UHFFFAOYSA-N 1 0 375.915 6.261 50 0 GKAARO CCOc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000008254104 221033373 /nfs/dbraw/zinc/03/33/73/221033373.db2.gz ANTNNKCTYZZRFZ-UHFFFAOYSA-N 1 0 394.342 6.003 50 0 GKAARO O=C(Cc1cccc2ccccc21)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008863158 221061606 /nfs/dbraw/zinc/06/16/06/221061606.db2.gz MWUZPTKEYNTDEU-HSZRJFAPSA-N 1 0 392.568 5.177 50 0 GKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000008534253 221043816 /nfs/dbraw/zinc/04/38/16/221043816.db2.gz SBODALPUXDENRY-KRWDZBQOSA-N 1 0 381.903 5.778 50 0 GKAARO COc1cccc(OC)c1OCCCCCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000008742511 221053575 /nfs/dbraw/zinc/05/35/75/221053575.db2.gz WXGRAWSVKXIDBT-OAQYLSRUSA-N 1 0 398.547 5.265 50 0 biogenic GKAARO CCC1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000009358850 221079634 /nfs/dbraw/zinc/07/96/34/221079634.db2.gz LRKCWFYHHUSIOT-GLQXHVENSA-N 1 0 378.343 5.792 50 0 GKAARO O=C(CC[C@@H]1CCC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1)Nc1ccccc1F ZINC000011873284 221133597 /nfs/dbraw/zinc/13/35/97/221133597.db2.gz OOMISKHSUBTYFP-QZGUCNERSA-N 1 0 384.539 5.225 50 0 GKAARO Cc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)s1 ZINC000012304178 221177422 /nfs/dbraw/zinc/17/74/22/221177422.db2.gz VDWYWIHJZIJUFW-JOCHJYFZSA-N 1 0 397.632 5.498 50 0 GKAARO CC(C)(C)c1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)[nH]n1 ZINC000012302366 221178084 /nfs/dbraw/zinc/17/80/84/221178084.db2.gz HIRMXZJKPXKEFO-UHFFFAOYSA-N 1 0 385.515 5.054 50 0 GKAARO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000012314950 221179883 /nfs/dbraw/zinc/17/98/83/221179883.db2.gz HXEXJBYNCJHNTN-UHFFFAOYSA-N 1 0 388.511 5.230 50 0 GKAARO COC1CC[NH+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1 ZINC000012577110 221208896 /nfs/dbraw/zinc/20/88/96/221208896.db2.gz LWIPCBJMDXGGPC-UHFFFAOYSA-N 1 0 378.472 5.053 50 0 GKAARO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012568600 221209145 /nfs/dbraw/zinc/20/91/45/221209145.db2.gz GSALKRWPFKYOEM-UONOGXRCSA-N 1 0 396.541 5.348 50 0 GKAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)cc1 ZINC000012586848 221211529 /nfs/dbraw/zinc/21/15/29/221211529.db2.gz KISUAUUVANHVEN-IBGZPJMESA-N 1 0 398.522 5.164 50 0 GKAARO CCOc1ccccc1-c1nc(C[N@H+](C)Cc2cccc3ccccc32)c(C)o1 ZINC000012586834 221211861 /nfs/dbraw/zinc/21/18/61/221211861.db2.gz VNTHSLVFWJCMLB-UHFFFAOYSA-N 1 0 386.495 5.834 50 0 GKAARO Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)[N@@H+]4CCCC[C@@H]4C)cc3)sc2c1 ZINC000012904885 221243738 /nfs/dbraw/zinc/24/37/38/221243738.db2.gz QEFAAMBTSZPXTO-IRXDYDNUSA-N 1 0 393.556 5.473 50 0 GKAARO CCC1(O)[C@@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000013617907 221276586 /nfs/dbraw/zinc/27/65/86/221276586.db2.gz LRKCWFYHHUSIOT-XZHRJXTQSA-N 1 0 378.343 5.792 50 0 GKAARO C[NH+](C)CCCCCCOc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000013467308 221269003 /nfs/dbraw/zinc/26/90/03/221269003.db2.gz PMGFTIDUJNLRSY-BIATYSSJSA-N 1 0 397.603 5.613 50 0 GKAARO CCCCCC[C@]1(O)C[C@H](c2ccc(C)cc2)[NH2+][C@@H](c2ccc(C)cc2)[C@@H]1C ZINC000013562986 221273375 /nfs/dbraw/zinc/27/33/75/221273375.db2.gz XTXJCNLNKMWVKO-WSZJRCBQSA-N 1 0 379.588 6.417 50 0 GKAARO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1Cc1ccccc1F ZINC000013759463 221287873 /nfs/dbraw/zinc/28/78/73/221287873.db2.gz IFBKQBARPJGXJC-AGILITTLSA-N 1 0 383.507 5.093 50 0 GKAARO Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860274 221348645 /nfs/dbraw/zinc/34/86/45/221348645.db2.gz TWJUHPITDVPCLU-OAQYLSRUSA-N 1 0 382.548 5.089 50 0 GKAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000016450023 221363229 /nfs/dbraw/zinc/36/32/29/221363229.db2.gz KHTBWZGDOJIVAE-UHFFFAOYSA-N 1 0 399.849 5.077 50 0 GKAARO FC(F)Sc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCC3)cc1 ZINC000015953370 221353980 /nfs/dbraw/zinc/35/39/80/221353980.db2.gz WFFRMISMAOOLND-UHFFFAOYSA-N 1 0 377.867 5.346 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002087797 533663800 /nfs/dbraw/zinc/66/38/00/533663800.db2.gz YUUHCQXJXXANCJ-SANMLTNESA-N 1 0 389.539 5.794 50 0 biogenic GKAARO CC[NH+](CC)CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000757960 136196449 /nfs/dbraw/zinc/19/64/49/136196449.db2.gz TVDDTARAMCNXMY-UHFFFAOYSA-N 1 0 380.435 5.177 50 0 biogenic GKAARO COc1cccc([C@@H](C[NH2+]Cc2ccsc2)c2c[nH]c3ccccc32)c1OC ZINC000023956472 221606891 /nfs/dbraw/zinc/60/68/91/221606891.db2.gz JEUUWDWBSKCDAR-LJQANCHMSA-N 1 0 392.524 5.168 50 0 GKAARO CCOc1ccc(-c2cn3c([n+]2-c2ccc(C)cc2)CCc2ccccc2-3)cc1 ZINC000026441677 221641963 /nfs/dbraw/zinc/64/19/63/221641963.db2.gz KEZGMWGYXPJILY-UHFFFAOYSA-N 1 0 381.499 5.227 50 0 GKAARO Cc1c2ccccc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027664674 221658866 /nfs/dbraw/zinc/65/88/66/221658866.db2.gz LOSLQJQKJGOQLO-GOSISDBHSA-N 1 0 382.529 5.150 50 0 GKAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+](C2CCCCC2)C2CCCCC2)c1 ZINC000028296614 221673938 /nfs/dbraw/zinc/67/39/38/221673938.db2.gz GPKYEWGPXRLRMB-QHCPKHFHSA-N 1 0 387.608 5.826 50 0 GKAARO C[C@H](C[NH+](Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1 ZINC000057218389 222030386 /nfs/dbraw/zinc/03/03/86/222030386.db2.gz GEHHLTOPYDVSEU-LJQANCHMSA-N 1 0 393.914 5.588 50 0 GKAARO O=C(C[NH2+]Cc1cccc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000052537474 222006571 /nfs/dbraw/zinc/00/65/71/222006571.db2.gz VYMFXXPQJNRFEX-UHFFFAOYSA-N 1 0 392.808 5.240 50 0 GKAARO CCCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000065322373 222122844 /nfs/dbraw/zinc/12/28/44/222122844.db2.gz YGPDJRNCNFWBBP-UHFFFAOYSA-N 1 0 384.568 5.053 50 0 GKAARO Cc1ccc2c(c1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCC[N@@H+](C)C1 ZINC000085393232 222323392 /nfs/dbraw/zinc/32/33/92/222323392.db2.gz QOKSLUVRRGQTTL-UHFFFAOYSA-N 1 0 386.461 5.589 50 0 GKAARO C[C@H]1[C@@H]2CC[C@@H](C)C[N@@H+]2[C@@H]2C[C@@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000253534729 525094399 /nfs/dbraw/zinc/09/43/99/525094399.db2.gz MVUKDQDMGIMFPT-YHJCXLRLSA-N 1 0 379.632 6.460 50 0 GKAARO Clc1cccc(N2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000000753472 526979340 /nfs/dbraw/zinc/97/93/40/526979340.db2.gz SHJGXBDKCHVIEW-UHFFFAOYSA-N 1 0 376.931 5.294 50 0 GKAARO CCn1c2ccccc2c2cc(CN3CC[NH+](Cc4ccccc4C)CC3)ccc21 ZINC000019781667 570218784 /nfs/dbraw/zinc/21/87/84/570218784.db2.gz CXGGJWPTSKYBDB-UHFFFAOYSA-N 1 0 397.566 5.441 50 0 GKAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)c2)cc1 ZINC000012808379 570222230 /nfs/dbraw/zinc/22/22/30/570222230.db2.gz JOEZJLBGDOTPSY-MRXNPFEDSA-N 1 0 380.438 5.376 50 0 GKAARO FC(F)(F)c1ccc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1 ZINC000019841261 570224868 /nfs/dbraw/zinc/22/48/68/570224868.db2.gz MUNABIINICXUOD-UHFFFAOYSA-N 1 0 384.445 5.176 50 0 GKAARO Cc1nc(-c2cccc(NC(=O)C[NH2+][C@H](c3cccs3)C(C)C)c2)cs1 ZINC000012810856 570225428 /nfs/dbraw/zinc/22/54/28/570225428.db2.gz YFJMYSJILKYCME-FQEVSTJZSA-N 1 0 385.558 5.105 50 0 GKAARO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012820038 570233115 /nfs/dbraw/zinc/23/31/15/570233115.db2.gz HTTYVVSZBCOYDB-QWHCGFSZSA-N 1 0 381.526 5.125 50 0 GKAARO Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)C[NH+]3CCCCC3)c3ccccc32)cc1 ZINC000000985099 570233157 /nfs/dbraw/zinc/23/31/57/570233157.db2.gz JNRPQABIBRXNSO-SANMLTNESA-N 1 0 390.571 5.302 50 0 GKAARO C[C@@H]([NH2+][C@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1cccs1 ZINC000012820035 570233341 /nfs/dbraw/zinc/23/33/41/570233341.db2.gz HTTYVVSZBCOYDB-CHWSQXEVSA-N 1 0 381.526 5.125 50 0 GKAARO CC(C)(C)[C@@H]([NH2+]Cn1nc(-c2cccnc2)n(C2CC2)c1=S)c1cccs1 ZINC000048340500 570239122 /nfs/dbraw/zinc/23/91/22/570239122.db2.gz XLYRBBBBPXQOFB-KRWDZBQOSA-N 1 0 399.589 5.207 50 0 GKAARO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)o1 ZINC000020322980 570252091 /nfs/dbraw/zinc/25/20/91/570252091.db2.gz SIJGEGZKNPAUNG-INIZCTEOSA-N 1 0 377.444 5.072 50 0 GKAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCCC[C@H]1CCCO ZINC000020352094 570252562 /nfs/dbraw/zinc/25/25/62/570252562.db2.gz UZFWXETYXGFITF-QHCPKHFHSA-N 1 0 390.527 5.444 50 0 GKAARO C[C@@H]1C[C@@H](N2CN([C@H]3C[C@@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000016997844 570271039 /nfs/dbraw/zinc/27/10/39/570271039.db2.gz ODNFMXWLLCNLGE-ZJPYXAASSA-N 1 0 382.683 5.967 50 0 GKAARO C[C@H]1C[C@@H](N2CN([C@H]3C[C@@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000036378954 570271079 /nfs/dbraw/zinc/27/10/79/570271079.db2.gz ODNFMXWLLCNLGE-VSZNYVQBSA-N 1 0 382.683 5.967 50 0 GKAARO Cc1ccc2[nH]c(CCc3cccc(NC(=O)CCC4CCCC4)c3)nc2c1 ZINC000015863573 570279514 /nfs/dbraw/zinc/27/95/14/570279514.db2.gz LUEBUGHYVKMPBO-UHFFFAOYSA-N 1 0 375.516 5.565 50 0 GKAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H](COc2cccc(C)c2)C1 ZINC000020916846 570284596 /nfs/dbraw/zinc/28/45/96/570284596.db2.gz QRTGOAHQJXNXEJ-SFHVURJKSA-N 1 0 382.529 5.311 50 0 GKAARO CCOc1ccc([C@@](O)(CC(C)C)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811658 570284917 /nfs/dbraw/zinc/28/49/17/570284917.db2.gz XDCNZAPXVYVKTL-DQEYMECFSA-N 1 0 381.560 5.199 50 0 GKAARO CCn1c2ccccc2c2cc(C[NH+]3CCC(Cc4ccccc4)CC3)ccc21 ZINC000002485450 570288247 /nfs/dbraw/zinc/28/82/47/570288247.db2.gz YOCTUDLMVHXKMH-UHFFFAOYSA-N 1 0 382.551 6.269 50 0 GKAARO CC[NH+](CC)CCCNC(=O)c1cc(-c2cccs2)nc2cc(C)c(C)cc21 ZINC000023325814 570292111 /nfs/dbraw/zinc/29/21/11/570292111.db2.gz GBQYLGPJGQCMQG-UHFFFAOYSA-N 1 0 395.572 5.042 50 0 GKAARO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012918788 570293322 /nfs/dbraw/zinc/29/33/22/570293322.db2.gz VXDCRVJCAPDWCZ-VHSXEESVSA-N 1 0 376.831 5.098 50 0 GKAARO COc1ccc([C@H]2CCCN2CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000012928336 570298669 /nfs/dbraw/zinc/29/86/69/570298669.db2.gz OMRZDQAZNIMESF-QGZVFWFLSA-N 1 0 393.314 5.086 50 0 GKAARO Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C[N@@H+](C)C3CCCCC3)C2)cc1 ZINC000034697640 570298710 /nfs/dbraw/zinc/29/87/10/570298710.db2.gz XWJLQGMZKSNDGA-NOZRDPDXSA-N 1 0 390.571 5.115 50 0 GKAARO O=C(c1cccs1)N(c1ccccc1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000034682500 570300316 /nfs/dbraw/zinc/30/03/16/570300316.db2.gz ZDWUAYKHIZSKOR-UHFFFAOYSA-N 1 0 382.554 5.121 50 0 GKAARO CC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034682719 570300457 /nfs/dbraw/zinc/30/04/57/570300457.db2.gz NRHJSMRIRTTZPN-UHFFFAOYSA-N 1 0 382.523 5.275 50 0 GKAARO Cc1ccc(N(C(=O)c2cccc(C)c2)C2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000034683008 570300669 /nfs/dbraw/zinc/30/06/69/570300669.db2.gz DQSKCQLRQONMGN-UHFFFAOYSA-N 1 0 388.511 5.208 50 0 GKAARO Cc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000034683028 570300846 /nfs/dbraw/zinc/30/08/46/570300846.db2.gz YGPZEUHOVDHAAA-UHFFFAOYSA-N 1 0 390.552 5.368 50 0 GKAARO Cc1ccc(N(C(=O)c2cccc(C)c2)C2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000034683356 570300878 /nfs/dbraw/zinc/30/08/78/570300878.db2.gz XGZHNZPDBONNLI-UHFFFAOYSA-N 1 0 388.511 5.208 50 0 GKAARO COc1cc2c(cc1C[N@@H+]1CCc3ccccc3C1)oc(C)c2-c1ccccc1 ZINC000022077659 570305134 /nfs/dbraw/zinc/30/51/34/570305134.db2.gz MNBLLUSDWPBUFY-UHFFFAOYSA-N 1 0 383.491 5.975 50 0 GKAARO O=C(CC[NH+]1CCCCCC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000575443681 570315054 /nfs/dbraw/zinc/31/50/54/570315054.db2.gz YHYYDZMHTBAZOJ-UHFFFAOYSA-N 1 0 386.948 5.735 50 0 GKAARO CCCC[N@H+](Cc1ccccc1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002893921 570317310 /nfs/dbraw/zinc/31/73/10/570317310.db2.gz BDXDSYDTWXYXMR-UHFFFAOYSA-N 1 0 381.604 6.790 50 0 GKAARO CC[N@H+](Cc1ccccc1)Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000002928694 570318479 /nfs/dbraw/zinc/31/84/79/570318479.db2.gz MGGMEBDPDNBEFC-UHFFFAOYSA-N 1 0 385.507 6.439 50 0 GKAARO Fc1ccc(C2=CC[N@H+](Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)cc1 ZINC000005671363 570322569 /nfs/dbraw/zinc/32/25/69/570322569.db2.gz ATEPKTFFTGYOHN-UHFFFAOYSA-N 1 0 393.889 6.561 50 0 GKAARO Cc1cc(OC[C@H](O)C[NH+](C2CCCCC2)C2CCCCC2)ccc1C(C)C ZINC000002993205 570324240 /nfs/dbraw/zinc/32/42/40/570324240.db2.gz UNDMHWWTMLFFFS-HSZRJFAPSA-N 1 0 387.608 5.826 50 0 GKAARO Cc1cc(OC[C@@H](O)C[NH+](C2CCCCC2)C2CCCCC2)ccc1C(C)C ZINC000002993206 570324264 /nfs/dbraw/zinc/32/42/64/570324264.db2.gz UNDMHWWTMLFFFS-QHCPKHFHSA-N 1 0 387.608 5.826 50 0 GKAARO CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000035843766 570343054 /nfs/dbraw/zinc/34/30/54/570343054.db2.gz FDDZYEGTURZUCW-IBGZPJMESA-N 1 0 382.498 5.861 50 0 GKAARO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035361569 570344601 /nfs/dbraw/zinc/34/46/01/570344601.db2.gz GSALKRWPFKYOEM-KBPBESRZSA-N 1 0 396.541 5.348 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@@H+](CCC(C)C)Cc2ccc(F)cc2)c1 ZINC000004874961 570353185 /nfs/dbraw/zinc/35/31/85/570353185.db2.gz NNOCLOIMZKMXGC-UHFFFAOYSA-N 1 0 378.535 6.032 50 0 GKAARO CC(C)CC[C@]1(CC[NH2+]Cc2ccc(OC(C)C)cc2)CCOC(C)(C)C1 ZINC000004065002 570356198 /nfs/dbraw/zinc/35/61/98/570356198.db2.gz XIPHEVSTVZMQGN-DEOSSOPVSA-N 1 0 375.597 5.965 50 0 biogenic GKAARO COc1ccc(OC[C@@H](C)[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000004072725 570356530 /nfs/dbraw/zinc/35/65/30/570356530.db2.gz ULNAOFARXKYFMY-HXUWFJFHSA-N 1 0 375.512 5.274 50 0 GKAARO COc1ccc(OC[C@H](C)[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000004072724 570356740 /nfs/dbraw/zinc/35/67/40/570356740.db2.gz ULNAOFARXKYFMY-FQEVSTJZSA-N 1 0 375.512 5.274 50 0 GKAARO [NH3+]CCS[C@]12CCCC[C@@H]1[C@H](c1ccccc1)C=C(c1ccccc1)S2 ZINC000004100025 570357337 /nfs/dbraw/zinc/35/73/37/570357337.db2.gz LABKZFATWSYIPM-XJUOHMSHSA-N 1 0 381.610 6.137 50 0 GKAARO CCCCCC[C@]1(O)C[C@H](c2ccc(C)cc2)[NH2+][C@H](c2ccc(C)cc2)[C@@H]1C ZINC000004898579 570358321 /nfs/dbraw/zinc/35/83/21/570358321.db2.gz XTXJCNLNKMWVKO-QUKDMSEQSA-N 1 0 379.588 6.417 50 0 GKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000004899179 570358671 /nfs/dbraw/zinc/35/86/71/570358671.db2.gz GLTZEBFFIPXPTP-OAQYLSRUSA-N 1 0 395.934 5.084 50 0 GKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000004899178 570358706 /nfs/dbraw/zinc/35/87/06/570358706.db2.gz GLTZEBFFIPXPTP-NRFANRHFSA-N 1 0 395.934 5.084 50 0 GKAARO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035362411 570360132 /nfs/dbraw/zinc/36/01/32/570360132.db2.gz ZRMOYBFYPALLGV-RDJZCZTQSA-N 1 0 390.512 5.287 50 0 GKAARO O[C@@H](C[NH2+]Cc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004159409 570360590 /nfs/dbraw/zinc/36/05/90/570360590.db2.gz PNHFCVLKJMHHPH-SFHVURJKSA-N 1 0 399.321 5.252 50 0 GKAARO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccs1 ZINC000004174170 570360820 /nfs/dbraw/zinc/36/08/20/570360820.db2.gz XZQVUONXUBGCNO-UHFFFAOYSA-N 1 0 397.584 5.784 50 0 GKAARO CN(C(=O)OCc1ccccc1)[C@@H](CC[NH+]1CCCC1)c1ccccc1Cl ZINC000004289965 570365659 /nfs/dbraw/zinc/36/56/59/570365659.db2.gz HFKBWYUKRSNBLT-NRFANRHFSA-N 1 0 386.923 5.136 50 0 GKAARO CN(C(=O)OCc1ccccc1)[C@@H](CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000004289977 570365669 /nfs/dbraw/zinc/36/56/69/570365669.db2.gz ZGRRONMCJIREIE-NRFANRHFSA-N 1 0 386.923 5.136 50 0 GKAARO CCC[NH+](CCC)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004301057 570366407 /nfs/dbraw/zinc/36/64/07/570366407.db2.gz XCONKEKFERLXAP-QGZVFWFLSA-N 1 0 393.358 5.584 50 0 GKAARO CCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000004311856 570367258 /nfs/dbraw/zinc/36/72/58/570367258.db2.gz LRKCWFYHHUSIOT-FEBSWUBLSA-N 1 0 378.343 5.792 50 0 GKAARO C=Cc1ccc(CSC2=Nc3ccccc3NC(CC(=O)OCC)=C2)cc1 ZINC000035480716 570372720 /nfs/dbraw/zinc/37/27/20/570372720.db2.gz IFWZTPTUZUZEPK-UHFFFAOYSA-N 1 0 378.497 5.556 50 0 GKAARO CCOc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccc(Cl)cc1 ZINC000004413583 570374330 /nfs/dbraw/zinc/37/43/30/570374330.db2.gz RAMFJRFKSXBKMY-UHFFFAOYSA-N 1 0 382.891 5.003 50 0 GKAARO CCCCCC[C@@]1(O)[C@@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CCC ZINC000004424050 570374702 /nfs/dbraw/zinc/37/47/02/570374702.db2.gz DRYQTNXMKBICIH-WMISLZHDSA-N 1 0 393.615 6.826 50 0 GKAARO CC1(C)CC(=O)C[C@]2(C1)[NH2+]C[C@@H](c1ccccc1Cl)c1c3ccccc3[nH]c12 ZINC000023908175 570375183 /nfs/dbraw/zinc/37/51/83/570375183.db2.gz YDXXMDROEYQMOS-MHECFPHRSA-N 1 0 392.930 5.531 50 0 GKAARO Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)o2)c1 ZINC000023956042 570375855 /nfs/dbraw/zinc/37/58/55/570375855.db2.gz ANZJQMCOBFNTPX-QGZVFWFLSA-N 1 0 390.512 5.034 50 0 GKAARO Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000023990151 570376330 /nfs/dbraw/zinc/37/63/30/570376330.db2.gz FYJUUDVGFHMHGG-INIZCTEOSA-N 1 0 390.512 5.034 50 0 GKAARO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1Cl ZINC000004084120 570386537 /nfs/dbraw/zinc/38/65/37/570386537.db2.gz CGAXGIVILAYNDK-OYDLWJJNSA-N 1 0 399.962 5.607 50 0 biogenic GKAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 ZINC000004657397 570390028 /nfs/dbraw/zinc/39/00/28/570390028.db2.gz DHVAQVODCJVOER-UHFFFAOYSA-N 1 0 377.528 5.333 50 0 GKAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl ZINC000004802800 570406376 /nfs/dbraw/zinc/40/63/76/570406376.db2.gz BEWVWNGYSGPFME-XUVDGOIQSA-N 1 0 391.942 5.726 50 0 GKAARO CC(=O)CCc1ccc(OCCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004833263 570409410 /nfs/dbraw/zinc/40/94/10/570409410.db2.gz LRJHMPPFTZIUCU-UHFFFAOYSA-N 1 0 393.571 5.322 50 0 GKAARO Cc1noc(C)c1COc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000025261416 570409646 /nfs/dbraw/zinc/40/96/46/570409646.db2.gz LIAFRVFPACNJAB-UHFFFAOYSA-N 1 0 390.405 5.179 50 0 GKAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000005092717 570415530 /nfs/dbraw/zinc/41/55/30/570415530.db2.gz VMJUUUFTNITBJO-XMMPIXPASA-N 1 0 397.522 5.195 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@H](Cc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000001744110 570417190 /nfs/dbraw/zinc/41/71/90/570417190.db2.gz OLHWCCAKGTYZQF-QHCPKHFHSA-N 1 0 375.512 5.210 50 0 biogenic GKAARO CCCCCCOc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000004980718 570421286 /nfs/dbraw/zinc/42/12/86/570421286.db2.gz FWIQIIMFTNFRGR-UHFFFAOYSA-N 1 0 386.967 5.621 50 0 GKAARO COc1ccccc1[C@]1(CC[NH2+]Cc2ccccc2F)CCO[C@@H](C(C)C)C1 ZINC000005025035 570424568 /nfs/dbraw/zinc/42/45/68/570424568.db2.gz KCYOBLYWPXGPGW-DNQXCXABSA-N 1 0 385.523 5.087 50 0 GKAARO C[N@H+](Cc1ccccc1NC(=O)CCCOc1ccccc1)C1CCCCC1 ZINC000026492388 570426181 /nfs/dbraw/zinc/42/61/81/570426181.db2.gz ZHDPHXCRMLMXLZ-UHFFFAOYSA-N 1 0 380.532 5.249 50 0 GKAARO CCCC[C@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000005152935 570428984 /nfs/dbraw/zinc/42/89/84/570428984.db2.gz YETVLGOGPIZJJH-DQEYMECFSA-N 1 0 381.560 5.343 50 0 GKAARO CCCC[C@@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000005152945 570429063 /nfs/dbraw/zinc/42/90/63/570429063.db2.gz YETVLGOGPIZJJH-JWQCQUIFSA-N 1 0 381.560 5.343 50 0 GKAARO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC000005151799 570429079 /nfs/dbraw/zinc/42/90/79/570429079.db2.gz BYWHFODVRVSDOY-MZYLBHOOSA-N 1 0 385.935 5.217 50 0 GKAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000011011292 570431571 /nfs/dbraw/zinc/43/15/71/570431571.db2.gz WKBVKTAHWHLSCW-XMMPIXPASA-N 1 0 386.495 5.285 50 0 GKAARO CC[NH+](CC)[C@@H](CNC(=O)c1oc2ccc(C)cc2c1C)c1ccccc1Cl ZINC000027580308 570436155 /nfs/dbraw/zinc/43/61/55/570436155.db2.gz INOBFXNJLZQINI-FQEVSTJZSA-N 1 0 398.934 5.516 50 0 GKAARO CC[NH+](CC)[C@H](CNC(=O)c1oc2ccc(C)cc2c1C)c1ccccc1Cl ZINC000027580312 570436218 /nfs/dbraw/zinc/43/62/18/570436218.db2.gz INOBFXNJLZQINI-HXUWFJFHSA-N 1 0 398.934 5.516 50 0 GKAARO Cc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027580435 570436300 /nfs/dbraw/zinc/43/63/00/570436300.db2.gz XKUHVXPOTFRIPB-GOSISDBHSA-N 1 0 396.556 5.377 50 0 GKAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccc(OC(C)(C)C)cc1)c1ccco1 ZINC000001867423 570437744 /nfs/dbraw/zinc/43/77/44/570437744.db2.gz CJTNIERBJTVLAU-JOCHJYFZSA-N 1 0 393.527 5.777 50 0 GKAARO Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027664682 570439672 /nfs/dbraw/zinc/43/96/72/570439672.db2.gz SGLOCGRDXJXUNL-QFIPXVFZSA-N 1 0 390.527 5.397 50 0 GKAARO Cn1c2ccccc2c(C[NH+]2CCN(c3ccccc3)CC2)c1-c1ccccc1 ZINC000054114348 570446327 /nfs/dbraw/zinc/44/63/27/570446327.db2.gz RHBUQGQCOWZAAZ-UHFFFAOYSA-N 1 0 381.523 5.168 50 0 GKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027991513 570448342 /nfs/dbraw/zinc/44/83/42/570448342.db2.gz IHUSXAJDVDDRQD-HXUWFJFHSA-N 1 0 396.918 5.270 50 0 GKAARO CCCCOc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)c1 ZINC000027992043 570448676 /nfs/dbraw/zinc/44/86/76/570448676.db2.gz WZRHJZMNMBJCNR-DEOSSOPVSA-N 1 0 394.559 5.131 50 0 GKAARO COc1ccc(C[NH2+]CC[C@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1OC ZINC000002479220 570453332 /nfs/dbraw/zinc/45/33/32/570453332.db2.gz PGBSTHZATDCMBM-VWLOTQADSA-N 1 0 397.559 5.019 50 0 biogenic GKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000028287599 570454699 /nfs/dbraw/zinc/45/46/99/570454699.db2.gz VKEVZOGERICKCH-GOSISDBHSA-N 1 0 382.529 5.068 50 0 GKAARO Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028289715 570455702 /nfs/dbraw/zinc/45/57/02/570455702.db2.gz VSUZLIIUTRACJJ-FQEVSTJZSA-N 1 0 378.516 5.071 50 0 GKAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1sc2ccccc2c1Cl ZINC000028291416 570456052 /nfs/dbraw/zinc/45/60/52/570456052.db2.gz LTSHZIQVZSOVCT-GOSISDBHSA-N 1 0 398.959 5.512 50 0 GKAARO CCc1ccc2oc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCCC3)c(C)c2c1 ZINC000028403258 570459202 /nfs/dbraw/zinc/45/92/02/570459202.db2.gz WNOLJQRQMRYHPF-LJQANCHMSA-N 1 0 396.556 5.322 50 0 GKAARO Cc1ccccc1C[N@@H+](Cc1cccn1Cc1ccccc1F)[C@@H](C)C(C)C ZINC000035841053 570463359 /nfs/dbraw/zinc/46/33/59/570463359.db2.gz GTWQTGOGLLQFDG-NRFANRHFSA-N 1 0 378.535 6.031 50 0 GKAARO COc1cccc(Cn2cccc2C[N@H+](Cc2cccc(F)c2)[C@@H](C)C(C)C)c1 ZINC000035841133 570464007 /nfs/dbraw/zinc/46/40/07/570464007.db2.gz RJUWEINDXJCZCM-FQEVSTJZSA-N 1 0 394.534 5.731 50 0 GKAARO CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000035843765 570464247 /nfs/dbraw/zinc/46/42/47/570464247.db2.gz FDDZYEGTURZUCW-LJQANCHMSA-N 1 0 382.498 5.861 50 0 GKAARO Cc1cccc(C[N@@H+](Cc2cccn2Cc2ccc(F)cc2)[C@@H](C)C(C)C)c1 ZINC000035843767 570464530 /nfs/dbraw/zinc/46/45/30/570464530.db2.gz GWQDIRRHYTXTGN-NRFANRHFSA-N 1 0 378.535 6.031 50 0 GKAARO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1F ZINC000005163799 570468700 /nfs/dbraw/zinc/46/87/00/570468700.db2.gz IFBKQBARPJGXJC-HUVFLSCGSA-N 1 0 383.507 5.093 50 0 GKAARO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1Cl ZINC000005163627 570468985 /nfs/dbraw/zinc/46/89/85/570468985.db2.gz BUZOOTVRWDNERF-PMOQBDJRSA-N 1 0 385.935 5.217 50 0 GKAARO C[N@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000029482960 570474691 /nfs/dbraw/zinc/47/46/91/570474691.db2.gz ZQMYMCXYXYGOJC-QGZVFWFLSA-N 1 0 383.706 5.205 50 0 GKAARO COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccc(Cl)cc1 ZINC000007525189 570507011 /nfs/dbraw/zinc/50/70/11/570507011.db2.gz HJJCMNPPKIXUPS-UHFFFAOYSA-N 1 0 381.903 5.526 50 0 GKAARO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000006638926 570512045 /nfs/dbraw/zinc/51/20/45/570512045.db2.gz OXYSTUNVTNNBIW-GOSISDBHSA-N 1 0 396.840 5.571 50 0 GKAARO COCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)oc2c(C)cc(C)cc12 ZINC000033018778 570518328 /nfs/dbraw/zinc/51/83/28/570518328.db2.gz NKJULPODNADZNF-UHFFFAOYSA-N 1 0 393.527 5.182 50 0 GKAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1OC ZINC000033087078 570519190 /nfs/dbraw/zinc/51/91/90/570519190.db2.gz NANSURGIDQRDOQ-GOSISDBHSA-N 1 0 397.544 5.273 50 0 GKAARO Clc1c(OCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)ccc2ccccc21 ZINC000006673525 570529425 /nfs/dbraw/zinc/52/94/25/570529425.db2.gz ZTUZPMLGGLBHHW-OAQYLSRUSA-N 1 0 380.919 5.884 50 0 GKAARO COc1cc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)ccc1OCc1ccccc1 ZINC000001193403 570535339 /nfs/dbraw/zinc/53/53/39/570535339.db2.gz RPBNMMZXDHWKHD-HSZRJFAPSA-N 1 0 388.511 5.396 50 0 GKAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)c(C)c1 ZINC000036098995 570536937 /nfs/dbraw/zinc/53/69/37/570536937.db2.gz JOINITSSBQMBFL-RUZDIDTESA-N 1 0 377.503 5.048 50 0 GKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(F)cc2)(c2ccc(OC)cc2)CCO1 ZINC000004833761 570540635 /nfs/dbraw/zinc/54/06/35/570540635.db2.gz KHNRMMLORMRALV-RPWUZVMVSA-N 1 0 385.523 5.231 50 0 GKAARO O[C@H](COc1ccc2ccccc2c1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000005091717 570541132 /nfs/dbraw/zinc/54/11/32/570541132.db2.gz YFZMIWFKEZNJHP-SANMLTNESA-N 1 0 397.518 5.282 50 0 GKAARO CC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000229847054 570544427 /nfs/dbraw/zinc/54/44/27/570544427.db2.gz HKJVXAYMDUGIOW-KCQQGECQSA-N 1 0 387.523 5.385 50 0 GKAARO CCCC(O)(CCC)c1ccc(C[N@H+](Cc2ccccc2OC)[C@@H](C)CC)o1 ZINC000036167794 570556747 /nfs/dbraw/zinc/55/67/47/570556747.db2.gz OQQBJGNMJQGHQO-IBGZPJMESA-N 1 0 387.564 5.877 50 0 GKAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccc(C)cc1)c1ccc2c(c1)OCO2 ZINC000006732349 570556752 /nfs/dbraw/zinc/55/67/52/570556752.db2.gz MTSPOMKWJNERCH-NRFANRHFSA-N 1 0 389.495 5.044 50 0 GKAARO COc1ccc([C@H]2c3cccn3CCCN2Cc2cccc(Cl)c2)cc1OC ZINC000036347671 570563590 /nfs/dbraw/zinc/56/35/90/570563590.db2.gz CSEQMMZCAUKIKB-QHCPKHFHSA-N 1 0 396.918 5.154 50 0 GKAARO COc1ccc([C@](O)(CC(C)C)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744252 570564302 /nfs/dbraw/zinc/56/43/02/570564302.db2.gz QXJVFCCWKJRIPI-LOSJGSFVSA-N 1 0 381.560 5.199 50 0 GKAARO O=C1[C@@]2(C[C@H]2c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@]12C[C@@H]2c1ccccc1 ZINC000036496931 570565366 /nfs/dbraw/zinc/56/53/66/570565366.db2.gz MXOGLMLNAHOAEG-GUDIABFTSA-N 1 0 393.530 5.419 50 0 GKAARO C[N@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C1CCCCC1 ZINC000036204064 570568190 /nfs/dbraw/zinc/56/81/90/570568190.db2.gz FYMQGKUCTZYKAX-UHFFFAOYSA-N 1 0 387.936 5.070 50 0 GKAARO CC(C)=CC(O)(C=C(C)C)c1ccc(C[N@H+](Cc2ccc(C)cc2)C2CC2)o1 ZINC000036202816 570568353 /nfs/dbraw/zinc/56/83/53/570568353.db2.gz RBSDZMWVWOFUHU-UHFFFAOYSA-N 1 0 379.544 5.873 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 ZINC000006755295 570572830 /nfs/dbraw/zinc/57/28/30/570572830.db2.gz HRTPYIWQOJKYFM-HSZRJFAPSA-N 1 0 383.894 5.800 50 0 GKAARO C[N@@H+]1CCCC[C@@H]1Cn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000038465931 570579166 /nfs/dbraw/zinc/57/91/66/570579166.db2.gz JRECAXBHMULNJQ-FMSQDJPCSA-N 1 0 390.571 5.525 50 0 in-vitro GKAARO O=C(c1ccc(OC2CC[NH+](C3CCCCCCC3)CC2)cc1)N1CCCCC1 ZINC000011816920 570584231 /nfs/dbraw/zinc/58/42/31/570584231.db2.gz LONCJWPFHVHIJH-UHFFFAOYSA-N 1 0 398.591 5.269 50 0 GKAARO c1ccc(C2(c3ccccc3)OC(C[NH+]3CCCCC3)=Nc3ccccc32)cc1 ZINC000034145078 570584316 /nfs/dbraw/zinc/58/43/16/570584316.db2.gz REEMHLGGPVZMMD-UHFFFAOYSA-N 1 0 382.507 5.525 50 0 GKAARO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000011839473 570586803 /nfs/dbraw/zinc/58/68/03/570586803.db2.gz MFVYFUGVPFPAOW-UHFFFAOYSA-N 1 0 391.563 5.107 50 0 GKAARO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000011843589 570587858 /nfs/dbraw/zinc/58/78/58/570587858.db2.gz OOGFFCIWBVICCZ-LJQANCHMSA-N 1 0 383.495 5.730 50 0 GKAARO Cc1scc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1-c1ccc(C)cc1 ZINC000006797740 570597861 /nfs/dbraw/zinc/59/78/61/570597861.db2.gz LHBDQWLBKCYJEX-UHFFFAOYSA-N 1 0 390.596 5.971 50 0 GKAARO COc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1OC ZINC000005460631 570603864 /nfs/dbraw/zinc/60/38/64/570603864.db2.gz PLQFJQJXWJVEDR-FPOVZHCZSA-N 1 0 385.467 5.200 50 0 GKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@H](C)c2cccs2)c2ccc(F)cc2)cc1 ZINC000005477861 570607737 /nfs/dbraw/zinc/60/77/37/570607737.db2.gz KKPWRIIPPOACPR-JPYJTQIMSA-N 1 0 397.559 6.547 50 0 GKAARO CC(C)CC[C@H](CC[NH2+]Cc1ccc2c(c1)OCO2)c1ccc(OC(C)C)cc1 ZINC000005478347 570608535 /nfs/dbraw/zinc/60/85/35/570608535.db2.gz UWXGZGFEIKOGOX-JOCHJYFZSA-N 1 0 397.559 5.902 50 0 GKAARO CC[C@]1(C)C[C@](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)(CCC(C)C)CCO1 ZINC000005478663 570608560 /nfs/dbraw/zinc/60/85/60/570608560.db2.gz OVJXVHHKPLUBEK-PMOQBDJRSA-N 1 0 380.016 6.782 50 0 GKAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000005478522 570608688 /nfs/dbraw/zinc/60/86/88/570608688.db2.gz ALRXSUNDKMMOBS-VWLOTQADSA-N 1 0 377.503 5.925 50 0 GKAARO CSc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012112176 570608708 /nfs/dbraw/zinc/60/87/08/570608708.db2.gz HHTPTPCWCRDADW-KRWDZBQOSA-N 1 0 386.536 5.179 50 0 GKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@H](C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000005478702 570609013 /nfs/dbraw/zinc/60/90/13/570609013.db2.gz MYGXMCHWGKTZDN-IBVKSMDESA-N 1 0 391.530 6.486 50 0 GKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@H](C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000005478703 570609111 /nfs/dbraw/zinc/60/91/11/570609111.db2.gz MYGXMCHWGKTZDN-FQRUVTKNSA-N 1 0 391.530 6.486 50 0 GKAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccccc2F)c2ccc(F)cc2)cc1 ZINC000005499531 570614670 /nfs/dbraw/zinc/61/46/70/570614670.db2.gz SFKPIGJAYLXUKA-DEOSSOPVSA-N 1 0 395.493 6.064 50 0 GKAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)c(Cl)c1 ZINC000006819259 570621682 /nfs/dbraw/zinc/62/16/82/570621682.db2.gz BGOMJBKAZOCLRS-UHFFFAOYSA-N 1 0 399.966 5.299 50 0 GKAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000012193145 570622236 /nfs/dbraw/zinc/62/22/36/570622236.db2.gz BVRUKSMTZUIYQH-KRWDZBQOSA-N 1 0 382.426 5.060 50 0 GKAARO CC(C)(c1ccccc1)c1ccc(OC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774871 570622866 /nfs/dbraw/zinc/62/28/66/570622866.db2.gz TZHGLZPBELTASV-MRXNPFEDSA-N 1 0 388.349 5.153 50 0 GKAARO Cc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)c1 ZINC000036348405 570629723 /nfs/dbraw/zinc/62/97/23/570629723.db2.gz CXKMEZAJZTXQDO-QFIPXVFZSA-N 1 0 384.445 5.811 50 0 GKAARO COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c1OC ZINC000036348131 570630888 /nfs/dbraw/zinc/63/08/88/570630888.db2.gz MOTYGWCHDHBPKZ-XMMPIXPASA-N 1 0 390.527 5.117 50 0 GKAARO C=C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000136611979 570631722 /nfs/dbraw/zinc/63/17/22/570631722.db2.gz AQAGPBXWLXHMCE-BVZFJXPGSA-N 1 0 379.544 5.749 50 0 GKAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012297467 570634388 /nfs/dbraw/zinc/63/43/88/570634388.db2.gz AXXYYFALLQKXAZ-LJQANCHMSA-N 1 0 376.525 5.052 50 0 GKAARO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000012298614 570634888 /nfs/dbraw/zinc/63/48/88/570634888.db2.gz CIBGXFGQENQASQ-DEOSSOPVSA-N 1 0 380.495 5.476 50 0 GKAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](C(=O)c2cccc3ccccc32)C1 ZINC000012299252 570635425 /nfs/dbraw/zinc/63/54/25/570635425.db2.gz QHQJFZBAAPVSJX-NRFANRHFSA-N 1 0 389.543 5.329 50 0 GKAARO CC[C@@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1)c1ccncc1 ZINC000012305043 570638255 /nfs/dbraw/zinc/63/82/55/570638255.db2.gz JBXLFRFEWNLODG-RUZDIDTESA-N 1 0 396.538 5.792 50 0 GKAARO Cc1cccc(NC(=O)CCC2CC[NH+](Cc3cccc4cnccc43)CC2)c1 ZINC000012385979 570650812 /nfs/dbraw/zinc/65/08/12/570650812.db2.gz KPSDZVCCGOTWFA-UHFFFAOYSA-N 1 0 387.527 5.174 50 0 GKAARO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCCC[C@H]3c3ccccn3)ccc2c1 ZINC000012430313 570658651 /nfs/dbraw/zinc/65/86/51/570658651.db2.gz CMJLYRSPJYHRDQ-DEOSSOPVSA-N 1 0 398.510 5.361 50 0 GKAARO Cc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)c(C)c1 ZINC000012431472 570659583 /nfs/dbraw/zinc/65/95/83/570659583.db2.gz RVIBWKZOXNMDGN-QFIPXVFZSA-N 1 0 393.575 5.030 50 0 GKAARO Cc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)c(C)c1 ZINC000012431473 570659661 /nfs/dbraw/zinc/65/96/61/570659661.db2.gz RVIBWKZOXNMDGN-JOCHJYFZSA-N 1 0 393.575 5.030 50 0 GKAARO CCc1cccc2c([C@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)C(C)C)c[nH]c21 ZINC000006872515 570664372 /nfs/dbraw/zinc/66/43/72/570664372.db2.gz NAWPHESYOOVGLY-SIKLNZKXSA-N 1 0 399.623 5.487 50 0 GKAARO CCc1cccc2c([C@@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)C(C)C)c[nH]c21 ZINC000006872516 570664387 /nfs/dbraw/zinc/66/43/87/570664387.db2.gz NAWPHESYOOVGLY-KNQAVFIVSA-N 1 0 399.623 5.487 50 0 GKAARO c1ccc(C2CC[NH+](CCCN3c4ccccc4CCc4ccccc43)CC2)cc1 ZINC000005741003 570664437 /nfs/dbraw/zinc/66/44/37/570664437.db2.gz SZDBEYBQFVPZGF-UHFFFAOYSA-N 1 0 396.578 6.193 50 0 GKAARO COc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)CC3CC3)c(C)o2)cc1OC ZINC000012480984 570674672 /nfs/dbraw/zinc/67/46/72/570674672.db2.gz LOJCWZWOMDXMRD-UHFFFAOYSA-N 1 0 392.499 5.079 50 0 GKAARO C[n+]1c(/C=C/C=C2c3ccccc3Sc3ccccc32)sc2ccccc21 ZINC000685944641 570675887 /nfs/dbraw/zinc/67/58/87/570675887.db2.gz YPLHLAZXLVETDJ-LZYBPNLTSA-N 1 0 384.549 6.336 50 0 GKAARO C[N+]1=C(/C=C/C=C2c3ccccc3Oc3ccccc32)C(C)(C)c2ccccc21 ZINC000685944729 570675896 /nfs/dbraw/zinc/67/58/96/570675896.db2.gz XVUJQVNRPRTREC-VCHYOVAHSA-N 1 0 378.495 6.486 50 0 GKAARO CCC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2)c(C(C)(C)CC)c1 ZINC000005645375 570679103 /nfs/dbraw/zinc/67/91/03/570679103.db2.gz ZSDQEHNBICRVES-QFIPXVFZSA-N 1 0 397.603 5.591 50 0 GKAARO O=C(CCC[N@@H+]1CCc2ccccc2[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000006885531 570679484 /nfs/dbraw/zinc/67/94/84/570679484.db2.gz BCELXGVOPNQNAC-VWLOTQADSA-N 1 0 387.498 5.479 50 0 GKAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cc(C(F)(F)F)ccc2F)cc1C ZINC000055118946 570683467 /nfs/dbraw/zinc/68/34/67/570683467.db2.gz OIEQLLJTMIVZOF-UHFFFAOYSA-N 1 0 377.385 5.141 50 0 GKAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3ccccc3C(F)(F)F)c2C)cc1 ZINC000055120429 570684104 /nfs/dbraw/zinc/68/41/04/570684104.db2.gz OMWIDJDARSQZKW-CQSZACIVSA-N 1 0 389.421 5.059 50 0 GKAARO CCCCCCOc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055292135 570690168 /nfs/dbraw/zinc/69/01/68/570690168.db2.gz KOYJRKYBCPXUFH-UHFFFAOYSA-N 1 0 386.967 5.621 50 0 GKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(c4cc(C)ccc4C)CC3)ccc21 ZINC000055292255 570690871 /nfs/dbraw/zinc/69/08/71/570690871.db2.gz QMDKMJIOHKUHIK-UHFFFAOYSA-N 1 0 397.566 5.753 50 0 GKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(c4ccccc4F)CC3)ccc21 ZINC000055543511 570696105 /nfs/dbraw/zinc/69/61/05/570696105.db2.gz GVMNXQSJPINVFE-UHFFFAOYSA-N 1 0 387.502 5.276 50 0 GKAARO Clc1ccc(Oc2cccc(C[NH+]3CCN(c4ccccc4)CC3)c2)cc1 ZINC000055543881 570696846 /nfs/dbraw/zinc/69/68/46/570696846.db2.gz AUXIOCVCFGKWCA-UHFFFAOYSA-N 1 0 378.903 5.455 50 0 GKAARO COc1ccccc1[C@]1(CC[NH2+][C@H](C)c2ccccc2)CCO[C@@H](C(C)C)C1 ZINC000013816378 570698820 /nfs/dbraw/zinc/69/88/20/570698820.db2.gz GGDMXKFAUIDFMO-NIJXNBFTSA-N 1 0 381.560 5.509 50 0 GKAARO O=C(CC[C@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1)Nc1ccccc1F ZINC000012707764 570701011 /nfs/dbraw/zinc/70/10/11/570701011.db2.gz DPMDJYBCTJMZQD-QGZVFWFLSA-N 1 0 396.531 5.671 50 0 GKAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)c(C)c1 ZINC000012709196 570701560 /nfs/dbraw/zinc/70/15/60/570701560.db2.gz GWQDCZANXKIOBJ-MOVYNIQHSA-N 1 0 392.543 5.148 50 0 GKAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)c3ccc(Cl)cc3)c2)cc1 ZINC000017315158 570703530 /nfs/dbraw/zinc/70/35/30/570703530.db2.gz ITONOQKRIJLNAA-QGZVFWFLSA-N 1 0 378.903 5.752 50 0 GKAARO CC[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(C)cc1 ZINC000017313315 570703905 /nfs/dbraw/zinc/70/39/05/570703905.db2.gz YMIFLLJNPRLMFG-QHCPKHFHSA-N 1 0 392.930 6.142 50 0 GKAARO O=C(Nc1ccccc1C(F)(F)F)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012714867 570703931 /nfs/dbraw/zinc/70/39/31/570703931.db2.gz IHMINOLINKNHKQ-OAHLLOKOSA-N 1 0 383.458 5.014 50 0 GKAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+]Cc1ccccc1C ZINC000017314711 570703969 /nfs/dbraw/zinc/70/39/69/570703969.db2.gz HZZFUBAVZOQBTN-UHFFFAOYSA-N 1 0 388.342 5.453 50 0 GKAARO Cc1noc(C)c1COc1ccc(C[NH2+][C@@H](c2cccs2)C(C)(C)C)cc1 ZINC000058014438 570707491 /nfs/dbraw/zinc/70/74/91/570707491.db2.gz HBZOEAVKOGWMLH-NRFANRHFSA-N 1 0 384.545 5.809 50 0 GKAARO Cc1c2ccccc2[nH]c1C[NH+]1CCC(CCC(=O)Nc2ccccc2)CC1 ZINC000012763283 570711070 /nfs/dbraw/zinc/71/10/70/570711070.db2.gz IWMQASYWGUJEJR-UHFFFAOYSA-N 1 0 375.516 5.107 50 0 GKAARO CCCOc1ccccc1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000058218684 570721364 /nfs/dbraw/zinc/72/13/64/570721364.db2.gz REJAPSCPVBOTOV-UHFFFAOYSA-N 1 0 388.511 5.360 50 0 GKAARO O=C(Nc1ccccc1)c1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000007016464 570741809 /nfs/dbraw/zinc/74/18/09/570741809.db2.gz BZHVZOGTSSQADU-UHFFFAOYSA-N 1 0 392.502 5.818 50 0 GKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1sc2ccccc2c1Cl ZINC000032690944 570742189 /nfs/dbraw/zinc/74/21/89/570742189.db2.gz AVSLSDOZPVTVDT-FUHWJXTLSA-N 1 0 396.943 5.311 50 0 GKAARO CCOc1cc(C[NH2+][C@@H]2CCCc3ccccc32)cc(Br)c1OC ZINC000025259526 570744703 /nfs/dbraw/zinc/74/47/03/570744703.db2.gz DAIFRQHNXOPIES-GOSISDBHSA-N 1 0 390.321 5.024 50 0 GKAARO O=C1[C@]2(C[C@@H]2c2ccccc2)C[NH+](Cc2ccccc2)C[C@@]12C[C@@H]2c1ccccc1 ZINC000063111071 570749915 /nfs/dbraw/zinc/74/99/15/570749915.db2.gz MXOGLMLNAHOAEG-CDRKEARJSA-N 1 0 393.530 5.419 50 0 GKAARO Cc1[nH+]c2cc(NCc3ccc(Cl)cc3Cl)ccc2n1Cc1ccccc1 ZINC000013806329 570791128 /nfs/dbraw/zinc/79/11/28/570791128.db2.gz JUWRYFVOXMCSGL-UHFFFAOYSA-N 1 0 396.321 6.312 50 0 GKAARO c1c(C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 ZINC000065315768 570792689 /nfs/dbraw/zinc/79/26/89/570792689.db2.gz LABHFIRXVPGQQZ-UHFFFAOYSA-N 1 0 381.523 5.012 50 0 GKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](CC(C)C)c1c[nH]c2ccccc21 ZINC000097954621 570801929 /nfs/dbraw/zinc/80/19/29/570801929.db2.gz RQVCIEZGRPJWLG-WOJBJXKFSA-N 1 0 385.596 5.314 50 0 GKAARO S=c1n(CN2CCC[C@@H]2c2cccs2)nc(C2CC2)n1Cc1ccccc1 ZINC000007143719 570806716 /nfs/dbraw/zinc/80/67/16/570806716.db2.gz XXONJHSXFVSWNJ-GOSISDBHSA-N 1 0 396.585 5.196 50 0 GKAARO CSc1cccc(NC(=S)N(CCC(C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000004669341 570813637 /nfs/dbraw/zinc/81/36/37/570813637.db2.gz UFJPPAGASFRWDR-UHFFFAOYSA-N 1 0 393.666 5.326 50 0 GKAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@@H]3C)CC2)cc1Cl ZINC000004668275 570814422 /nfs/dbraw/zinc/81/44/22/570814422.db2.gz QNLYQLCEEGGSRT-JXFKEZNVSA-N 1 0 394.028 5.320 50 0 GKAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1ccc(Br)cc1 ZINC000004678145 570823693 /nfs/dbraw/zinc/82/36/93/570823693.db2.gz HSCXRRKYRIPVNL-UHFFFAOYSA-N 1 0 376.685 5.115 50 0 GKAARO C[NH+](C)Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000014120190 570824039 /nfs/dbraw/zinc/82/40/39/570824039.db2.gz KFNQEUWRYWAMTR-UHFFFAOYSA-N 1 0 390.327 5.038 50 0 GKAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004678538 570824591 /nfs/dbraw/zinc/82/45/91/570824591.db2.gz RNXPDUSXULSPFI-UHFFFAOYSA-N 1 0 391.559 6.000 50 0 GKAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1cccc(Oc2ccccc2)c1 ZINC000004678584 570824716 /nfs/dbraw/zinc/82/47/16/570824716.db2.gz MFCQOSYEEVIFIJ-UHFFFAOYSA-N 1 0 389.886 6.145 50 0 GKAARO COc1cc(CNc2[nH+]cc(-c3ccccc3)n2C)ccc1OCc1ccccc1 ZINC000004678547 570824889 /nfs/dbraw/zinc/82/48/89/570824889.db2.gz OSYRKJFKTDLZSD-UHFFFAOYSA-N 1 0 399.494 5.287 50 0 GKAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1ccc(Br)cc1 ZINC000004678517 570824951 /nfs/dbraw/zinc/82/49/51/570824951.db2.gz DDZRHDXEARQYMR-UHFFFAOYSA-N 1 0 376.685 5.115 50 0 GKAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(C(C)C)cc3)n2CCOC)cc1 ZINC000004679226 570825181 /nfs/dbraw/zinc/82/51/81/570825181.db2.gz RHCYBKJTPHWOCR-UHFFFAOYSA-N 1 0 393.531 5.331 50 0 GKAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc(Cl)c1Cl ZINC000004679238 570825349 /nfs/dbraw/zinc/82/53/49/570825349.db2.gz BFFDCPIFGNNJJL-UHFFFAOYSA-N 1 0 394.277 5.255 50 0 GKAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000004688711 570834563 /nfs/dbraw/zinc/83/45/63/570834563.db2.gz QYONLKBSSKOKJS-HUUCEWRRSA-N 1 0 392.330 5.198 50 0 GKAARO Cc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000003286546 570851288 /nfs/dbraw/zinc/85/12/88/570851288.db2.gz QFEWNTJNNWOZIP-UHFFFAOYSA-N 1 0 390.552 5.368 50 0 GKAARO COc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)CC3CC3)c(C)o2)c(OC)c1 ZINC000014979249 570869046 /nfs/dbraw/zinc/86/90/46/570869046.db2.gz ADRGVIUWJASHTI-UHFFFAOYSA-N 1 0 392.499 5.079 50 0 GKAARO Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000037279857 570870153 /nfs/dbraw/zinc/87/01/53/570870153.db2.gz LUMNQBCSAPGEQS-UHFFFAOYSA-N 1 0 398.550 5.615 50 0 GKAARO CC[C@H]1C(=O)[C@@H](CC)[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000103549630 570886660 /nfs/dbraw/zinc/88/66/60/570886660.db2.gz SIHNWMZLNPZZLD-FGYAAKKASA-N 1 0 376.327 6.001 50 0 GKAARO Cc1ccc([C@@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CCC3)cc1 ZINC000104139450 570896008 /nfs/dbraw/zinc/89/60/08/570896008.db2.gz WBGQOEMSRHZQDS-FQEVSTJZSA-N 1 0 388.496 5.565 50 0 GKAARO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2F)cc1 ZINC000015581265 570898076 /nfs/dbraw/zinc/89/80/76/570898076.db2.gz DVWGYJMLNNKJQW-UHFFFAOYSA-N 1 0 375.422 5.107 50 0 GKAARO C[N@H+](Cc1ccccc1NC(=O)c1cccc(OC(F)F)c1)C1CCCCC1 ZINC000032902903 570900983 /nfs/dbraw/zinc/90/09/83/570900983.db2.gz RAFBKGDNTDVTHO-UHFFFAOYSA-N 1 0 388.458 5.305 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(OC)cc2)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004026958 570907507 /nfs/dbraw/zinc/90/75/07/570907507.db2.gz UVKDIUMGVALWFS-ZJSXRUAMSA-N 1 0 397.559 5.173 50 0 biogenic GKAARO CC[N@H+](CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000004026965 570907579 /nfs/dbraw/zinc/90/75/79/570907579.db2.gz YKCUWIVBCFMJNZ-ILBGXUMGSA-N 1 0 395.587 5.896 50 0 biogenic GKAARO CCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004584022 570915934 /nfs/dbraw/zinc/91/59/34/570915934.db2.gz RHGGWJQVSQESND-IZZNHLLZSA-N 1 0 395.587 5.733 50 0 GKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1 ZINC000023153867 570920043 /nfs/dbraw/zinc/92/00/43/570920043.db2.gz ZTXXGGQGMGCTAD-UHFFFAOYSA-N 1 0 397.569 5.140 50 0 GKAARO CC(C)[N@H+](CCCc1nc2ccccc2o1)Cc1ccc(N2CCC[C@@H]2C)nc1 ZINC000089929874 570920104 /nfs/dbraw/zinc/92/01/04/570920104.db2.gz OSEYMJFKNQBCSB-IBGZPJMESA-N 1 0 392.547 5.055 50 0 GKAARO CC(C)[N@H+](CCCc1nc2ccccc2o1)Cc1ccc(N2CCC[C@H]2C)nc1 ZINC000089929873 570920196 /nfs/dbraw/zinc/92/01/96/570920196.db2.gz OSEYMJFKNQBCSB-LJQANCHMSA-N 1 0 392.547 5.055 50 0 GKAARO O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1cccc2ccccc21 ZINC000017014252 570937036 /nfs/dbraw/zinc/93/70/36/570937036.db2.gz MMIDOYLJDTZZSQ-UHFFFAOYSA-N 1 0 387.890 5.078 50 0 GKAARO CC(C)(C)[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc2ccccc2o1 ZINC000097049262 570945854 /nfs/dbraw/zinc/94/58/54/570945854.db2.gz SAHVJCCBAFRCNY-OAQYLSRUSA-N 1 0 380.488 5.007 50 0 GKAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000012689269 570949344 /nfs/dbraw/zinc/94/93/44/570949344.db2.gz RSBGLBFYLXFBPB-MRXNPFEDSA-N 1 0 390.449 5.182 50 0 GKAARO O=C([C@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1)N1CCCCCC1 ZINC000004745258 570959989 /nfs/dbraw/zinc/95/99/89/570959989.db2.gz RPXBDMVRKRLROV-QFIPXVFZSA-N 1 0 392.543 5.094 50 0 GKAARO CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc3ccccc3s1)[C@@]2(O)C(F)(F)F ZINC000025185768 570962165 /nfs/dbraw/zinc/96/21/65/570962165.db2.gz CEBFJVCUBNTZND-FMTVUPSXSA-N 1 0 397.466 5.186 50 0 GKAARO CCn1c(=S)n(CN(Cc2ccccc2)Cc2ccccc2C)nc1C1CC1 ZINC000083836818 570967869 /nfs/dbraw/zinc/96/78/69/570967869.db2.gz OVXRZMJFCNUHBM-UHFFFAOYSA-N 1 0 392.572 5.280 50 0 GKAARO COc1ccccc1[C@@H](CC[NH2+][C@H](C)c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000002151442 570972942 /nfs/dbraw/zinc/97/29/42/570972942.db2.gz LEYZFLIHBYLOSI-FCEUIQTBSA-N 1 0 381.560 5.725 50 0 biogenic GKAARO COc1ccccc1[C@@H](CC[NH2+][C@H](C)c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000002151438 570973042 /nfs/dbraw/zinc/97/30/42/570973042.db2.gz LEYZFLIHBYLOSI-HJNYFJLDSA-N 1 0 381.560 5.725 50 0 biogenic GKAARO CC(C)(C)Oc1ccc(C[NH2+]CC[C@H](Cc2ccccc2)c2ccco2)cc1 ZINC000002153292 570973064 /nfs/dbraw/zinc/97/30/64/570973064.db2.gz SQKTZSVDSKNMTE-JOCHJYFZSA-N 1 0 377.528 5.963 50 0 biogenic GKAARO COc1ccccc1[C@H](CC[NH2+][C@H](C)c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000002151439 570973069 /nfs/dbraw/zinc/97/30/69/570973069.db2.gz LEYZFLIHBYLOSI-CEMLEFRQSA-N 1 0 381.560 5.725 50 0 biogenic GKAARO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)nc(-c2ccc(Cl)cc2)n1 ZINC000252492566 570974581 /nfs/dbraw/zinc/97/45/81/570974581.db2.gz MPHYCIIMNNJIBX-BDTNDASRSA-N 1 0 399.966 5.011 50 0 GKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4cccc(C)c4)CC3)ccc21 ZINC000019369763 570980595 /nfs/dbraw/zinc/98/05/95/570980595.db2.gz HWPDJPDPHNEDDF-UHFFFAOYSA-N 1 0 397.566 5.441 50 0 GKAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)cnn1C(C)C ZINC000252523197 570987529 /nfs/dbraw/zinc/98/75/29/570987529.db2.gz CAXLEUOBLTXRFX-MRXNPFEDSA-N 1 0 394.494 5.015 50 0 GKAARO C[C@@H]([NH2+]C1CCCCC1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000007664122 571013669 /nfs/dbraw/zinc/01/36/69/571013669.db2.gz NTZPTVWRFWFHDO-MRXNPFEDSA-N 1 0 393.556 5.136 50 0 GKAARO COc1ccc2ccccc2c1C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000019634700 571022322 /nfs/dbraw/zinc/02/23/22/571022322.db2.gz IEFDAFNVSOHURZ-UHFFFAOYSA-N 1 0 381.519 6.093 50 0 GKAARO COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)c1OC ZINC000037522478 571024036 /nfs/dbraw/zinc/02/40/36/571024036.db2.gz CGYUCAPUJUMDLJ-DEOSSOPVSA-N 1 0 390.527 5.117 50 0 GKAARO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cc(C)cc(C)c2)c1OC ZINC000037523345 571025115 /nfs/dbraw/zinc/02/51/15/571025115.db2.gz UHMSMQXPNZLADZ-DEOSSOPVSA-N 1 0 390.527 5.117 50 0 GKAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000037559817 571031629 /nfs/dbraw/zinc/03/16/29/571031629.db2.gz PGRAUNZYORWNML-UHFFFAOYSA-N 1 0 384.523 5.306 50 0 GKAARO COc1ccc(C[NH+]2CCC(N(C(=O)CC(C)C)c3ccc(C)cc3)CC2)cc1 ZINC000037560022 571031715 /nfs/dbraw/zinc/03/17/15/571031715.db2.gz ZAEDRYNLDSORID-UHFFFAOYSA-N 1 0 394.559 5.047 50 0 GKAARO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000037570647 571032620 /nfs/dbraw/zinc/03/26/20/571032620.db2.gz CPCUVUZWRKFYBC-UHFFFAOYSA-N 1 0 382.523 5.240 50 0 GKAARO CCc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037587668 571034396 /nfs/dbraw/zinc/03/43/96/571034396.db2.gz UKTMQEKKHUXKLK-UHFFFAOYSA-N 1 0 382.523 5.042 50 0 GKAARO Cc1ccccc1[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000017312525 210209502 /nfs/dbraw/zinc/20/95/02/210209502.db2.gz VUONHJDMTZIISC-HXUWFJFHSA-N 1 0 382.511 5.153 50 0 GKAARO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1Cl ZINC000017314506 210208943 /nfs/dbraw/zinc/20/89/43/210208943.db2.gz IOHVMGWAEVCQAL-OAHLLOKOSA-N 1 0 399.321 6.097 50 0 GKAARO COc1ccc([C@H]([NH2+]CC(=O)N(Cc2ccco2)C2=CCCCC2)C(C)C)cc1 ZINC000016695447 210195797 /nfs/dbraw/zinc/19/57/97/210195797.db2.gz NSZWLXRBAUGTEN-XMMPIXPASA-N 1 0 396.531 5.062 50 0 GKAARO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccs2)cc1 ZINC000016526007 210191348 /nfs/dbraw/zinc/19/13/48/210191348.db2.gz IAXCEVZPSRZEHY-UHFFFAOYSA-N 1 0 377.484 5.909 50 0 GKAARO Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)ccc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000015860494 210174258 /nfs/dbraw/zinc/17/42/58/210174258.db2.gz CAUOIUCXIUJFAK-HXUWFJFHSA-N 1 0 394.515 5.154 50 0 GKAARO Cc1ccc([C@H](CNC(=O)c2oc3cc(C)ccc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000015860493 210174285 /nfs/dbraw/zinc/17/42/85/210174285.db2.gz CAUOIUCXIUJFAK-FQEVSTJZSA-N 1 0 394.515 5.154 50 0 GKAARO Cc1ccc([C@@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)[NH+](C)C)cc1 ZINC000015859877 210173798 /nfs/dbraw/zinc/17/37/98/210173798.db2.gz HKFXIWFBBGFUQZ-QGZVFWFLSA-N 1 0 386.948 5.204 50 0 GKAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013517354 210064384 /nfs/dbraw/zinc/06/43/84/210064384.db2.gz IBVUWOBSESRAEG-FXSWLTOZSA-N 1 0 389.514 5.906 50 0 GKAARO CC(C)(C)c1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc(C(C)(C)C)c1O ZINC000004982703 209555348 /nfs/dbraw/zinc/55/53/48/209555348.db2.gz MFUNPNWIXSQHCJ-QFIPXVFZSA-N 1 0 380.576 6.109 50 0 GKAARO CCc1ccccc1NC(=S)N(CCC[NH+]1CCC(C)CC1)Cc1ccco1 ZINC000003665549 209452418 /nfs/dbraw/zinc/45/24/18/209452418.db2.gz LNTYNRDHQCUSOK-UHFFFAOYSA-N 1 0 399.604 5.163 50 0 GKAARO CC(C)(C)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000002816548 209387818 /nfs/dbraw/zinc/38/78/18/209387818.db2.gz IUERNOMATOUXHB-UHFFFAOYSA-N 1 0 393.615 6.442 50 0 GKAARO CC1(C)CC(NC(=O)N2c3ccccc3Sc3ccccc32)CC(C)(C)[NH2+]1 ZINC000001096050 209300098 /nfs/dbraw/zinc/30/00/98/209300098.db2.gz YHHSUMUYBDRSMV-UHFFFAOYSA-N 1 0 381.545 5.308 50 0 GKAARO CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(Br)cc1 ZINC000001774749 212256156 /nfs/dbraw/zinc/25/61/56/212256156.db2.gz OPLBHEBIKPBMOV-UHFFFAOYSA-N 1 0 399.288 5.534 50 0 GKAARO CCC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCCCC2)c(C(C)(C)CC)c1 ZINC000000938375 212196578 /nfs/dbraw/zinc/19/65/78/212196578.db2.gz DLRKJICJRVVRCV-HXUWFJFHSA-N 1 0 375.597 5.287 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(OC(C)C)cc2)C(C)C)cc1OC ZINC000001899957 212145184 /nfs/dbraw/zinc/14/51/84/212145184.db2.gz AKKNPBZYGGQDLY-JOCHJYFZSA-N 1 0 385.548 5.411 50 0 biogenic GKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccc(O)cc2)c2ccccc2)cc1 ZINC000001774425 212144342 /nfs/dbraw/zinc/14/43/42/212144342.db2.gz GZMRVEFNKBOYQH-RUZDIDTESA-N 1 0 375.512 5.491 50 0 biogenic GKAARO COc1ccc([C@@H]2CCCCC[N@@H+]2[C@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000036385376 212119416 /nfs/dbraw/zinc/11/94/16/212119416.db2.gz DQCSMRNKPJZMOD-UTKZUKDTSA-N 1 0 377.488 5.424 50 0 GKAARO CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc3ccccc3s1)[C@]2(O)C(F)(F)F ZINC000036056941 212111166 /nfs/dbraw/zinc/11/11/66/212111166.db2.gz CEBFJVCUBNTZND-FTLABTOESA-N 1 0 397.466 5.186 50 0 GKAARO Cc1cc2c(cc1C)[n+](Cc1ccc(C(F)(F)F)cc1)cn2Cc1ccccc1 ZINC000004542229 203754322 /nfs/dbraw/zinc/75/43/22/203754322.db2.gz ZSUUFQBOBPRAME-UHFFFAOYSA-N 1 0 395.448 5.661 50 0 GKAARO CC(C)(C)c1cc([C@H](c2ccccc2)[NH+]2CCCCC2)cc(C(C)(C)C)c1O ZINC000001889649 203922673 /nfs/dbraw/zinc/92/26/73/203922673.db2.gz CKEXYVSMAAJUCU-QHCPKHFHSA-N 1 0 379.588 6.563 50 0 GKAARO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000003105547 203986869 /nfs/dbraw/zinc/98/68/69/203986869.db2.gz JTGNJMSPTFPDKY-UHFFFAOYSA-N 1 0 380.532 5.122 50 0 GKAARO CCCCCOc1ccc([C@@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004311494 204037273 /nfs/dbraw/zinc/03/72/73/204037273.db2.gz JXNYRXSQPUKFRJ-LOSJGSFVSA-N 1 0 381.560 5.559 50 0 GKAARO CC[NH+](CC)CCCN(Cc1ccco1)C(=S)Nc1cc(Cl)ccc1C ZINC000003662288 204017899 /nfs/dbraw/zinc/01/78/99/204017899.db2.gz NNXUIBSFQOOBBE-UHFFFAOYSA-N 1 0 393.984 5.172 50 0 GKAARO S=C(Nc1ccccc1Cl)N(CCC[NH+]1CCCC1)Cc1cccs1 ZINC000003665727 204018104 /nfs/dbraw/zinc/01/81/04/204018104.db2.gz PSSNTXGPYBMJBC-UHFFFAOYSA-N 1 0 394.009 5.086 50 0 GKAARO CCc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2ccco2)cc1 ZINC000003662422 204018843 /nfs/dbraw/zinc/01/88/43/204018843.db2.gz UQGMWWFNFMKFNY-IBGZPJMESA-N 1 0 399.604 5.163 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(OC)cc2)[C@H]2CCOC(C)(C)C2)cc1 ZINC000004026957 204023425 /nfs/dbraw/zinc/02/34/25/204023425.db2.gz UVKDIUMGVALWFS-URXFXBBRSA-N 1 0 397.559 5.173 50 0 biogenic GKAARO c1ccc(-c2cc(-c3ccccc3)[n+](Cc3ccncc3)c(-c3ccccc3)c2)cc1 ZINC000004114522 204027664 /nfs/dbraw/zinc/02/76/64/204027664.db2.gz DBJXPZYJXLRNPZ-UHFFFAOYSA-N 1 0 399.517 6.418 50 0 GKAARO CC[NH+](CC)CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000004213324 204033089 /nfs/dbraw/zinc/03/30/89/204033089.db2.gz VHEOUJNDDFHPGJ-UHFFFAOYSA-N 1 0 394.462 5.567 50 0 in-man GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(F)cc2)[C@H]2CCOC(C)(C)C2)cc1 ZINC000004808936 204076429 /nfs/dbraw/zinc/07/64/29/204076429.db2.gz AKQUMANZBQUAEU-REWPJTCUSA-N 1 0 385.523 5.303 50 0 GKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(F)cc2)(c2ccccc2OC)CCO1 ZINC000004821798 204078820 /nfs/dbraw/zinc/07/88/20/204078820.db2.gz JNPXRELHFXVHQB-DNQXCXABSA-N 1 0 385.523 5.231 50 0 GKAARO CC1(C)CC(NC(=O)c2ccccc2SCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000004843333 204082262 /nfs/dbraw/zinc/08/22/62/204082262.db2.gz RGSYMAFGRSHCDF-UHFFFAOYSA-N 1 0 382.573 5.018 50 0 GKAARO CCOC(=O)CCCCC[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004655767 204059411 /nfs/dbraw/zinc/05/94/11/204059411.db2.gz KYTUEWUHTSKWSR-UHFFFAOYSA-N 1 0 394.342 5.796 50 0 GKAARO CC(C)(C)c1cc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc(C(C)(C)C)c1O ZINC000004982702 204099399 /nfs/dbraw/zinc/09/93/99/204099399.db2.gz MFUNPNWIXSQHCJ-JOCHJYFZSA-N 1 0 380.576 6.109 50 0 GKAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(I)cc3)c2c1 ZINC000005583696 204142018 /nfs/dbraw/zinc/14/20/18/204142018.db2.gz DVINIEVWFPMUNM-UHFFFAOYSA-N 1 0 388.252 5.508 50 0 GKAARO Cc1ccc(C2=[N+]3CCCCCN3[C@](O)(c3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000005682767 204145626 /nfs/dbraw/zinc/14/56/26/204145626.db2.gz GDCDHXXPYJHSFM-HHHXNRCGSA-N 1 0 397.542 5.114 50 0 GKAARO COc1ccc2oc(=O)cc(C[N@H+](Cc3ccco3)[C@@H]3CCC[C@H](C)[C@H]3C)c2c1 ZINC000006743185 204198899 /nfs/dbraw/zinc/19/88/99/204198899.db2.gz DUYKSUKMPDEBPO-GSHUGGBRSA-N 1 0 395.499 5.222 50 0 GKAARO COc1cccc([C@@H]2C[NH2+][C@@]3(CCC[C@H](C)C3)c3[nH]c4ccccc4c32)c1OC ZINC000006935455 204224769 /nfs/dbraw/zinc/22/47/69/204224769.db2.gz XPSNBHFIESOOFX-RSLCBRBSSA-N 1 0 390.527 5.326 50 0 GKAARO CCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000007261271 204237339 /nfs/dbraw/zinc/23/73/39/204237339.db2.gz CGCARLVZDPJKJH-UHFFFAOYSA-N 1 0 380.301 5.447 50 0 GKAARO C[C@H]([NH2+]C1CCCCC1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000007664121 204245682 /nfs/dbraw/zinc/24/56/82/204245682.db2.gz NTZPTVWRFWFHDO-INIZCTEOSA-N 1 0 393.556 5.136 50 0 GKAARO O[C@H](C[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21)c1ccccc1 ZINC000009225038 204303785 /nfs/dbraw/zinc/30/37/85/204303785.db2.gz SSIYPAHHMJMQFK-RUZDIDTESA-N 1 0 383.491 5.242 50 0 GKAARO CC(C)CCN1C(=O)c2ccccc2[C@@H]1[NH2+]C1CCCCCCCCCCC1 ZINC000009678658 204319646 /nfs/dbraw/zinc/31/96/46/204319646.db2.gz ZIGKTYFCFBILDS-XMMPIXPASA-N 1 0 384.608 6.450 50 0 GKAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc(OC)c(C)c3)oc2C)c1 ZINC000011753646 204353103 /nfs/dbraw/zinc/35/31/03/204353103.db2.gz NBPIAADRCYJRJA-QFIPXVFZSA-N 1 0 392.499 5.313 50 0 GKAARO CC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(-c3cccc4ccccc43)c2C)c1 ZINC000011840240 204355231 /nfs/dbraw/zinc/35/52/31/204355231.db2.gz WISSCKMNMDHFDU-QGZVFWFLSA-N 1 0 383.495 5.387 50 0 GKAARO CC(C)[N@@H+]1CCOc2ccc([C@H](O)C(c3ccccc3)c3ccccc3)cc2C1 ZINC000011872338 204359035 /nfs/dbraw/zinc/35/90/35/204359035.db2.gz DJBPBBBPATZDOC-SANMLTNESA-N 1 0 387.523 5.155 50 0 GKAARO Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](C4CCSCC4)C3)c2)c1 ZINC000011998207 204365422 /nfs/dbraw/zinc/36/54/22/204365422.db2.gz QISOLBAFENQBQU-OAQYLSRUSA-N 1 0 394.584 5.208 50 0 GKAARO Clc1ccc(-c2c[n+](Cc3ccc(Cl)c(Cl)c3)c3n2CCC3)cc1 ZINC000013786956 204513343 /nfs/dbraw/zinc/51/33/43/204513343.db2.gz IQNKPIJKSKBHMF-UHFFFAOYSA-N 1 0 378.710 5.397 50 0 GKAARO CCCC(O)(CCC)c1ccc(C[N@H+](CCCOC)Cc2ccc(C)s2)o1 ZINC000036154594 205007875 /nfs/dbraw/zinc/00/78/75/205007875.db2.gz UHUVLTQMPBTZMC-UHFFFAOYSA-N 1 0 393.593 5.476 50 0 GKAARO O=C(NC1CCCCC1)c1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000037547711 205028540 /nfs/dbraw/zinc/02/85/40/205028540.db2.gz JNUFGLJHWPFBCZ-UHFFFAOYSA-N 1 0 390.571 5.204 50 0 GKAARO Cc1cc([C@H](c2ccsc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545914 205036783 /nfs/dbraw/zinc/03/67/83/205036783.db2.gz VHFVKWQHIRQHSH-SFHVURJKSA-N 1 0 386.542 5.539 50 0 GKAARO Cc1cccnc1[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000055133189 205143098 /nfs/dbraw/zinc/14/30/98/205143098.db2.gz BKFJCHUHTWDZBZ-GOSISDBHSA-N 1 0 386.474 5.233 50 0 GKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@H]3CCC1 ZINC000055447672 205149714 /nfs/dbraw/zinc/14/97/14/205149714.db2.gz LPYCRSDEHJIWIV-QFIPXVFZSA-N 1 0 398.472 6.252 50 0 GKAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)c1ccc(Cl)cc1 ZINC000057577242 205159315 /nfs/dbraw/zinc/15/93/15/205159315.db2.gz ZCXUNTQDPNGJKJ-GOSISDBHSA-N 1 0 395.728 5.028 50 0 GKAARO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000058160576 205165483 /nfs/dbraw/zinc/16/54/83/205165483.db2.gz ITZAYPHZNAKFJA-LJQANCHMSA-N 1 0 380.491 5.546 50 0 GKAARO CC[NH+]1CCC(NC(=O)N(Cc2ccc(-c3ccccc3C)s2)C(C)C)CC1 ZINC000058209314 205169056 /nfs/dbraw/zinc/16/90/56/205169056.db2.gz GRZYAEOFKPTBJT-UHFFFAOYSA-N 1 0 399.604 5.128 50 0 GKAARO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)s1 ZINC000067855778 205265057 /nfs/dbraw/zinc/26/50/57/205265057.db2.gz PKODVQFPDXXFOH-MRXNPFEDSA-N 1 0 393.512 5.541 50 0 GKAARO COc1cc(-c2nc(C[NH+]3CCC(c4ccccc4)CC3)c(C)o2)ccc1F ZINC000067967360 205269842 /nfs/dbraw/zinc/26/98/42/205269842.db2.gz BBRUSNPIZJCIOK-UHFFFAOYSA-N 1 0 380.463 5.177 50 0 GKAARO CNc1nc(C[N@@H+]2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)cs1 ZINC000072171125 205315270 /nfs/dbraw/zinc/31/52/70/205315270.db2.gz UDTYSMPDIJYGPK-HNNXBMFYSA-N 1 0 383.483 5.048 50 0 GKAARO COc1ccccc1OCCn1c2ccccc2nc1[C@H](C)[NH+]1CCCCCC1 ZINC000082086980 205386097 /nfs/dbraw/zinc/38/60/97/205386097.db2.gz NCKZCDKSTWKOLW-IBGZPJMESA-N 1 0 393.531 5.061 50 0 GKAARO CCCOC(=O)c1cccc(Nc2cc(C)[nH+]c3ccc(C(=O)OCC)cc23)c1 ZINC000005808128 205771385 /nfs/dbraw/zinc/77/13/85/205771385.db2.gz XOYJDDAJGJLPNT-UHFFFAOYSA-N 1 0 392.455 5.030 50 0 GKAARO CC[C@]1(C)C[C@@](CC[NH2+][C@H](C)c2ccc(Cl)cc2)(CCC(C)C)CCO1 ZINC000102761578 205811704 /nfs/dbraw/zinc/81/17/04/205811704.db2.gz OVJXVHHKPLUBEK-UEVCKROQSA-N 1 0 380.016 6.782 50 0 GKAARO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@H]2C[C@@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 ZINC000253623585 206150005 /nfs/dbraw/zinc/15/00/05/206150005.db2.gz MVUKDQDMGIMFPT-VFQQZDCGSA-N 1 0 379.632 6.460 50 0 GKAARO COc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2C[NH+](C)C)cc1 ZINC000071405262 206208939 /nfs/dbraw/zinc/20/89/39/206208939.db2.gz MBWUWMKTUMKGNR-QFIPXVFZSA-N 1 0 377.509 5.254 50 0 GKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3ccccc3)CCC[C@@]21C ZINC000006365196 206218736 /nfs/dbraw/zinc/21/87/36/206218736.db2.gz CBLMOOKPRRHEJH-PVHODMMVSA-N 1 0 375.600 6.610 50 0 GKAARO CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc3ccccc3s1)[C@]2(O)C(F)(F)F ZINC000036056939 206257362 /nfs/dbraw/zinc/25/73/62/206257362.db2.gz CEBFJVCUBNTZND-SEDUGSJDSA-N 1 0 397.466 5.186 50 0 GKAARO CCCC[n+]1c(/C=C\c2c(OC)cc(OC)cc2OC)ccc2ccccc21 ZINC000104189920 211621627 /nfs/dbraw/zinc/62/16/27/211621627.db2.gz FFDMVUJOLSSJPA-YPKPFQOOSA-N 1 0 378.492 5.124 50 0 GKAARO Cc1ccccc1N1CC[NH+](CCCC(=O)c2ccc(C3CCCC3)cc2)CC1 ZINC000000717526 206319391 /nfs/dbraw/zinc/31/93/91/206319391.db2.gz RQPIRKPHQUYTIA-UHFFFAOYSA-N 1 0 390.571 5.438 50 0 GKAARO COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCC(C)CC2)cc1 ZINC000001447631 206382023 /nfs/dbraw/zinc/38/20/23/206382023.db2.gz HUEAMKWWOHBZGS-UHFFFAOYSA-N 1 0 398.510 5.332 50 0 GKAARO COc1ccc(CC[NH2+]CCC(c2ccccc2)c2ccccc2)cc1OC ZINC000001769945 206391033 /nfs/dbraw/zinc/39/10/33/206391033.db2.gz RJBAAYNWRDJIMX-UHFFFAOYSA-N 1 0 375.512 5.058 50 0 GKAARO CC1(C)CC(NP(=O)(Oc2ccccc2)Oc2ccccc2)CC(C)(C)[NH2+]1 ZINC000002066157 206397153 /nfs/dbraw/zinc/39/71/53/206397153.db2.gz NRIFEKGEUHVXBZ-UHFFFAOYSA-N 1 0 388.448 5.151 50 0 GKAARO Cc1cccc(NC(=S)N(CCC[NH+]2CCCCCC2)Cc2ccco2)c1 ZINC000003665494 206494023 /nfs/dbraw/zinc/49/40/23/206494023.db2.gz MDXZNVFSXHNANZ-UHFFFAOYSA-N 1 0 385.577 5.053 50 0 GKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)cc2)(c2ccccc2OC)CCO1 ZINC000004028115 206498513 /nfs/dbraw/zinc/49/85/13/206498513.db2.gz ILQHKCVUXDKCEO-JWQCQUIFSA-N 1 0 397.559 5.101 50 0 biogenic GKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(C)ccc3C)=NN12 ZINC000004363532 206517365 /nfs/dbraw/zinc/51/73/65/206517365.db2.gz KFAIPMIBGPPAHE-QHCPKHFHSA-N 1 0 389.543 5.049 50 0 GKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCc1cccnc1 ZINC000004999714 206582350 /nfs/dbraw/zinc/58/23/50/206582350.db2.gz RIZBFJNGKCTSLR-INIZCTEOSA-N 1 0 382.891 5.173 50 0 GKAARO C[N@@H+](Cc1cccc2ccccc21)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000089361288 211179090 /nfs/dbraw/zinc/17/90/90/211179090.db2.gz QTKOHUUTDVUSOW-UHFFFAOYSA-N 1 0 387.527 5.216 50 0 GKAARO Cc1ccccc1-c1c[nH]nc1C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000077358242 211131575 /nfs/dbraw/zinc/13/15/75/211131575.db2.gz UJZYTSLVPSROSI-UHFFFAOYSA-N 1 0 382.511 5.313 50 0 GKAARO OC1CC[NH+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)CC1 ZINC000072408927 211114789 /nfs/dbraw/zinc/11/47/89/211114789.db2.gz GPJPJZUVMWZVHX-UHFFFAOYSA-N 1 0 392.930 5.001 50 0 GKAARO FC(F)(F)c1ccccc1CC[C@H]1CCC[N@H+](Cc2cncn2C2CC2)C1 ZINC000072163102 211080413 /nfs/dbraw/zinc/08/04/13/211080413.db2.gz VOQTZJWUFPDJDQ-MRXNPFEDSA-N 1 0 377.454 5.082 50 0 GKAARO CCOC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000071769331 211061037 /nfs/dbraw/zinc/06/10/37/211061037.db2.gz WQYRLUGDFUKNQQ-HSZRJFAPSA-N 1 0 391.555 5.190 50 0 GKAARO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)n(C)c1 ZINC000071681358 211051991 /nfs/dbraw/zinc/05/19/91/211051991.db2.gz UMUHCQIZFLPQLS-KRWDZBQOSA-N 1 0 392.465 5.091 50 0 GKAARO CCOc1ccccc1-c1nc(C[NH+]2CCC(c3ccccc3)CC2)c(C)o1 ZINC000067675703 211014756 /nfs/dbraw/zinc/01/47/56/211014756.db2.gz TVBXIKDVXQBXJY-UHFFFAOYSA-N 1 0 376.500 5.428 50 0 GKAARO Cc1ccc(C[NH2+]Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)o1 ZINC000012718505 206927294 /nfs/dbraw/zinc/92/72/94/206927294.db2.gz DCKKOEAEZKMCRQ-UHFFFAOYSA-N 1 0 375.447 5.178 50 0 GKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722770 210791061 /nfs/dbraw/zinc/79/10/61/210791061.db2.gz SYKJIRXGXDHIJW-UHFFFAOYSA-N 1 0 394.386 6.877 50 0 GKAARO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000014949537 207032293 /nfs/dbraw/zinc/03/22/93/207032293.db2.gz ODTJYSNXBLICBV-IBGZPJMESA-N 1 0 398.547 5.039 50 0 GKAARO CCC[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C)C[C@@H]1CCCO1 ZINC000014968592 207035131 /nfs/dbraw/zinc/03/51/31/207035131.db2.gz LKBPHJZYTPCTPL-KRWDZBQOSA-N 1 0 382.426 5.060 50 0 GKAARO Fc1ccccc1CN(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015067397 207043128 /nfs/dbraw/zinc/04/31/28/207043128.db2.gz ZFJJZZJUVRJRFD-QFIPXVFZSA-N 1 0 395.566 5.268 50 0 GKAARO CCc1c(C)sc2c1CC[N@H+](Cc1cc(C)ccc1C)[C@@H]2c1ccccc1 ZINC000015864871 207065508 /nfs/dbraw/zinc/06/55/08/207065508.db2.gz HYKLQUMMCYRVRI-XMMPIXPASA-N 1 0 375.581 6.383 50 0 GKAARO Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000017312523 207087754 /nfs/dbraw/zinc/08/77/54/207087754.db2.gz CSBJKUAOISZTHJ-KRWDZBQOSA-N 1 0 378.903 5.752 50 0 GKAARO Cc1ccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000034682977 210662297 /nfs/dbraw/zinc/66/22/97/210662297.db2.gz IRZABEARPHZSTI-UHFFFAOYSA-N 1 0 384.951 5.416 50 0 GKAARO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034682762 210662090 /nfs/dbraw/zinc/66/20/90/210662090.db2.gz NKLCTCRGRAYYMG-UHFFFAOYSA-N 1 0 396.550 5.747 50 0 GKAARO Cc1cccc(C[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000019361042 207119103 /nfs/dbraw/zinc/11/91/03/207119103.db2.gz OCJYIGYOJCODJL-RUZDIDTESA-N 1 0 390.958 5.556 50 0 aggregator,fda GKAARO COc1cccc(C[NH2+]CCc2ccccc2F)c1OCc1ccccc1Cl ZINC000019691158 207148601 /nfs/dbraw/zinc/14/86/01/207148601.db2.gz GMUHRSIWXUGDQX-UHFFFAOYSA-N 1 0 399.893 5.399 50 0 GKAARO CCn1c2ccccc2c2cc(C[NH2+]CCc3ccc(Cl)cc3Cl)ccc21 ZINC000019841321 207167184 /nfs/dbraw/zinc/16/71/84/207167184.db2.gz RQEVDFHOWJFGHU-UHFFFAOYSA-N 1 0 397.349 6.454 50 0 GKAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1)[C@@H](O)c1ccccc1 ZINC000019872078 207167945 /nfs/dbraw/zinc/16/79/45/207167945.db2.gz BJMUGVJXKMIWFB-UZUQRXQVSA-N 1 0 381.903 5.131 50 0 GKAARO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1Cl ZINC000019812591 207163337 /nfs/dbraw/zinc/16/33/37/207163337.db2.gz ZLSQHFOTCCOYBT-UHFFFAOYSA-N 1 0 390.914 5.459 50 0 GKAARO O[C@@](C[NH2+]Cc1ccc(Cl)cc1Cl)(c1ccccc1)c1ccc(F)cc1 ZINC000020365960 207190442 /nfs/dbraw/zinc/19/04/42/207190442.db2.gz IIIMYUBGOIQKHP-NRFANRHFSA-N 1 0 390.285 5.158 50 0 GKAARO CCCCC[C@@](O)(c1ccc(CC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020441045 207193525 /nfs/dbraw/zinc/19/35/25/207193525.db2.gz VVRNWCBRDVBEKY-IZZNHLLZSA-N 1 0 395.587 5.133 50 0 GKAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c(F)c1 ZINC000020997125 207222150 /nfs/dbraw/zinc/22/21/50/207222150.db2.gz ZQAXWPGQNXKPDE-CQSZACIVSA-N 1 0 389.396 5.013 50 0 GKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCC2)c(Cl)c1 ZINC000022074275 207246496 /nfs/dbraw/zinc/24/64/96/207246496.db2.gz QOSLCYPIGZUTLM-UHFFFAOYSA-N 1 0 384.734 6.258 50 0 GKAARO C[C@@H]1CCCC[N@@H+]1CCNc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000021933180 207243154 /nfs/dbraw/zinc/24/31/54/207243154.db2.gz CQPFQBJFRPAOCY-CQSZACIVSA-N 1 0 386.952 5.298 50 0 GKAARO c1sc(-c2ccccc2)nc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023251573 207272535 /nfs/dbraw/zinc/27/25/35/207272535.db2.gz NPFBDZCHXFDKDV-UHFFFAOYSA-N 1 0 399.563 5.281 50 0 GKAARO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cc4ccccc4s3)C2)o1 ZINC000023368448 207274931 /nfs/dbraw/zinc/27/49/31/207274931.db2.gz LQQLOTNMGYUJEG-SFHVURJKSA-N 1 0 396.556 5.111 50 0 GKAARO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cc4ccccc4s3)C2)o1 ZINC000023368452 207275152 /nfs/dbraw/zinc/27/51/52/207275152.db2.gz LQQLOTNMGYUJEG-GOSISDBHSA-N 1 0 396.556 5.111 50 0 GKAARO CCCCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)c1 ZINC000027992039 207333082 /nfs/dbraw/zinc/33/30/82/207333082.db2.gz WZRHJZMNMBJCNR-XMMPIXPASA-N 1 0 394.559 5.131 50 0 GKAARO Cc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027584456 207326892 /nfs/dbraw/zinc/32/68/92/207326892.db2.gz UXVCREADJRDTSU-XMMPIXPASA-N 1 0 394.559 5.129 50 0 GKAARO CSc1ccc2cc(C[N@@H+]3CCC[C@H](O)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072472837 208030471 /nfs/dbraw/zinc/03/04/71/208030471.db2.gz YGVQORYUCPEQIG-IBGZPJMESA-N 1 0 398.959 5.234 50 0 GKAARO CC(C)[C@H](CNc1cc(C(F)(F)F)nc2ccccc21)[NH+]1CCCCCC1 ZINC000089791396 208109090 /nfs/dbraw/zinc/10/90/90/208109090.db2.gz APRHCOGZDHLPDC-IBGZPJMESA-N 1 0 379.470 5.566 50 0 GKAARO CCCCCC[C@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020868536 210365235 /nfs/dbraw/zinc/36/52/35/210365235.db2.gz JYGDYZIQXYQTMZ-UIOOFZCWSA-N 1 0 395.587 5.269 50 0 GKAARO CCc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000020607619 210352723 /nfs/dbraw/zinc/35/27/23/210352723.db2.gz INNVAFCCUUWNAL-GMKZXUHWSA-N 1 0 399.962 5.476 50 0 GKAARO Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000020600663 210349788 /nfs/dbraw/zinc/34/97/88/210349788.db2.gz ICNQLBTWWKXESD-QGZVFWFLSA-N 1 0 397.444 5.249 50 0 GKAARO Cc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc(C(=O)Nc2ccncc2)s1 ZINC000020482002 210340500 /nfs/dbraw/zinc/34/05/00/210340500.db2.gz IBGBEJNBYOCNGS-IBGZPJMESA-N 1 0 377.513 5.041 50 0 GKAARO CSc1cccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000020036852 210312069 /nfs/dbraw/zinc/31/20/69/210312069.db2.gz OWNLMVNSQNQECB-UHFFFAOYSA-N 1 0 388.536 5.219 50 0 GKAARO Fc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1F ZINC000019635610 210277930 /nfs/dbraw/zinc/27/79/30/210277930.db2.gz IJCIJYGWMXGSKW-CQSZACIVSA-N 1 0 389.396 5.013 50 0 GKAARO COc1ccc(/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2C)cc1 ZINC000005008765 220809958 /nfs/dbraw/zinc/80/99/58/220809958.db2.gz DQNXHVHGZDHUHM-DTQAZKPQSA-N 1 0 378.495 6.024 50 0 GKAARO Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4C[NH2+]C(C)C)c2cc1C ZINC000096116117 209009937 /nfs/dbraw/zinc/00/99/37/209009937.db2.gz ITVZJYZVMNMMOV-UHFFFAOYSA-N 1 0 376.456 5.024 50 0 biogenic GKAARO COc1ccc([C@@](O)(CC(C)C)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744259 220956810 /nfs/dbraw/zinc/95/68/10/220956810.db2.gz QXJVFCCWKJRIPI-DQEYMECFSA-N 1 0 381.560 5.199 50 0 GKAARO COc1ccc([C@@](O)(CCC(C)C)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006743808 220957171 /nfs/dbraw/zinc/95/71/71/220957171.db2.gz RBTQRRLXXCEYGE-DQEYMECFSA-N 1 0 381.560 5.199 50 0 GKAARO Cc1scc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1-c1ccc(C)cc1 ZINC000006797742 220962819 /nfs/dbraw/zinc/96/28/19/220962819.db2.gz VSAKWVFLBUIVMS-UHFFFAOYSA-N 1 0 390.596 5.971 50 0 aggregator GKAARO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(OCC)c(OCC)c2)cc1OC ZINC000008395288 221039517 /nfs/dbraw/zinc/03/95/17/221039517.db2.gz BAELZLKBPNWFDX-KRWDZBQOSA-N 1 0 387.520 5.132 50 0 GKAARO Clc1ccc(Cn2cc(C[NH2+]Cc3ccccc3)c3ccccc32)c(Cl)c1 ZINC000010315466 221100617 /nfs/dbraw/zinc/10/06/17/221100617.db2.gz OUFLNTPJBGAKDL-UHFFFAOYSA-N 1 0 395.333 6.286 50 0 GKAARO COc1ccc(C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C2CC2)cc1 ZINC000009608999 221088085 /nfs/dbraw/zinc/08/80/85/221088085.db2.gz JTSDDTUJDSWEPV-UHFFFAOYSA-N 1 0 386.495 5.112 50 0 GKAARO Clc1ccc(Cn2cc(C[NH2+]Cc3cccnc3)c3ccccc32)c(Cl)c1 ZINC000010315517 221100502 /nfs/dbraw/zinc/10/05/02/221100502.db2.gz FCQIHSARCKFHQZ-UHFFFAOYSA-N 1 0 396.321 5.681 50 0 GKAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c(C)c1 ZINC000011753884 221124388 /nfs/dbraw/zinc/12/43/88/221124388.db2.gz GSVAJSBTMNMUKN-JOCHJYFZSA-N 1 0 394.559 5.067 50 0 GKAARO O=C(NCCC1=CCCCC1)[C@H]1CC12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000011870266 221133255 /nfs/dbraw/zinc/13/32/55/221133255.db2.gz XXBVAEZMBZFPHC-JOCHJYFZSA-N 1 0 392.543 5.042 50 0 GKAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000011665464 221120444 /nfs/dbraw/zinc/12/04/44/221120444.db2.gz POZCOJFTWSNHHM-UHFFFAOYSA-N 1 0 393.531 5.105 50 0 GKAARO CC(=O)c1cccc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c1 ZINC000012027358 221143940 /nfs/dbraw/zinc/14/39/40/221143940.db2.gz QNRKVCHSPBZWAV-QFIPXVFZSA-N 1 0 387.527 5.187 50 0 GKAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](C2CCCCCC2)CC1 ZINC000012199660 221166198 /nfs/dbraw/zinc/16/61/98/221166198.db2.gz YWGKYDUBXBEDBA-UHFFFAOYSA-N 1 0 393.531 5.247 50 0 GKAARO COc1cc(C)c(-c2nc(C[N@H+](CC3CCC3)C[C@@H]3CCCO3)c(C)o2)cc1C ZINC000012443261 221196161 /nfs/dbraw/zinc/19/61/61/221196161.db2.gz SZQCXHMQSHLBGG-FQEVSTJZSA-N 1 0 398.547 5.057 50 0 GKAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000012455628 221197858 /nfs/dbraw/zinc/19/78/58/221197858.db2.gz YUXUUYSKCHFPRX-OAQYLSRUSA-N 1 0 390.527 5.266 50 0 GKAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(OC3CCCC3)c2)cnn1-c1ccccc1 ZINC000012713718 221221417 /nfs/dbraw/zinc/22/14/17/221221417.db2.gz JUSARYURLVCYEY-GOSISDBHSA-N 1 0 375.516 5.353 50 0 GKAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]Cc1ccco1 ZINC000012593264 221211790 /nfs/dbraw/zinc/21/17/90/221211790.db2.gz VNSSZPJKXKBICO-UHFFFAOYSA-N 1 0 379.410 5.009 50 0 GKAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)c3ccc(F)c(F)c3)c2)cc1 ZINC000012808385 221235313 /nfs/dbraw/zinc/23/53/13/221235313.db2.gz JOEZJLBGDOTPSY-INIZCTEOSA-N 1 0 380.438 5.376 50 0 GKAARO C[C@H]([NH2+][C@@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1cccs1 ZINC000012820031 221236867 /nfs/dbraw/zinc/23/68/67/221236867.db2.gz HTTYVVSZBCOYDB-STQMWFEESA-N 1 0 381.526 5.125 50 0 GKAARO C[C@@H]([NH2+][C@@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1cccs1 ZINC000012820025 221237054 /nfs/dbraw/zinc/23/70/54/221237054.db2.gz HTTYVVSZBCOYDB-OLZOCXBDSA-N 1 0 381.526 5.125 50 0 GKAARO COc1ccc([C@@H]2CCCCC[N@@H+]2[C@@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000014066800 221297697 /nfs/dbraw/zinc/29/76/97/221297697.db2.gz DQCSMRNKPJZMOD-UWJYYQICSA-N 1 0 377.488 5.424 50 0 GKAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000014977168 221323368 /nfs/dbraw/zinc/32/33/68/221323368.db2.gz VGNCQRVENNXYPJ-UHFFFAOYSA-N 1 0 394.446 5.062 50 0 GKAARO O=C1CC[C@H]([N@@H+]2CC[C@@H]3CCCC[C@H]3C2)CCN1Cc1ccc2ccccc2c1 ZINC000014960757 221320555 /nfs/dbraw/zinc/32/05/55/221320555.db2.gz DOFQGSKQSATEIK-HVCNVCAESA-N 1 0 390.571 5.233 50 0 GKAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH2+][C@@H](C)c2cccs2)cc1 ZINC000015003140 221326052 /nfs/dbraw/zinc/32/60/52/221326052.db2.gz GHCYTFLLXIMCEV-KRWDZBQOSA-N 1 0 388.536 6.131 50 0 GKAARO FC(F)(F)c1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)nc1 ZINC000084563097 136175004 /nfs/dbraw/zinc/17/50/04/136175004.db2.gz BXQUHFJZHOHSNJ-UHFFFAOYSA-N 1 0 397.444 5.090 50 0 GKAARO COc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2C)[C@@H](C)C(C)C)c1 ZINC000035841128 221834105 /nfs/dbraw/zinc/83/41/05/221834105.db2.gz QXQUUZLQFOKNRV-QFIPXVFZSA-N 1 0 390.571 5.900 50 0 GKAARO Fc1ccc(C(NC2CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000057369839 222031985 /nfs/dbraw/zinc/03/19/85/222031985.db2.gz RVQLZCSNWOLBAE-UHFFFAOYSA-N 1 0 392.493 5.308 50 0 GKAARO O=C(CCC[N@H+]1C=C(c2ccccc2)c2ccccc2CC1)c1ccc(F)cc1 ZINC000049992040 222001875 /nfs/dbraw/zinc/00/18/75/222001875.db2.gz XDJKETZURHVDBQ-UHFFFAOYSA-N 1 0 385.482 5.736 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(OC(C)C)cc2)C2CCCCC2)cc1 ZINC000050703357 222004321 /nfs/dbraw/zinc/00/43/21/222004321.db2.gz KZMBRATYPBSTHY-AREMUKBSSA-N 1 0 395.587 6.326 50 0 GKAARO c1nc(-c2ccccc2)c(-c2cnc3ccccc3c2)n1[C@H]1C[NH+]2CCC1CC2 ZINC000065405254 222127432 /nfs/dbraw/zinc/12/74/32/222127432.db2.gz YEZAFGDYOSQIEO-QHCPKHFHSA-N 1 0 380.495 5.032 50 0 GKAARO Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccc4occc4c3)CC2)c1 ZINC000077386740 222279363 /nfs/dbraw/zinc/27/93/63/222279363.db2.gz BUJGQSHJUHIRJE-UHFFFAOYSA-N 1 0 375.447 5.342 50 0 GKAARO Clc1ccc(N2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000000766466 526956068 /nfs/dbraw/zinc/95/60/68/526956068.db2.gz JJXYIERDWRKQIM-UHFFFAOYSA-N 1 0 376.931 5.294 50 0 GKAARO CCOc1ccccc1C[NH2+]Cc1c(-c2ccc(CC)cc2)nc2ccccn21 ZINC000009740860 528730604 /nfs/dbraw/zinc/73/06/04/528730604.db2.gz VWCSZPBOZWWZFL-UHFFFAOYSA-N 1 0 385.511 5.252 50 0 GKAARO O=C(Nc1cccc(Cl)c1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019761807 570216907 /nfs/dbraw/zinc/21/69/07/570216907.db2.gz OBKZIWKGFXKOHR-UHFFFAOYSA-N 1 0 376.887 5.151 50 0 GKAARO Cc1c(Cl)cccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019812664 570221686 /nfs/dbraw/zinc/22/16/86/570221686.db2.gz ZYADRAHVVZXTNZ-UHFFFAOYSA-N 1 0 390.914 5.459 50 0 GKAARO CC[C@@H]([NH2+]Cc1cnc(SC)nc1N(C)C1CCCCC1)c1ccccc1 ZINC000022625823 570222358 /nfs/dbraw/zinc/22/23/58/570222358.db2.gz FBXLUPAIUQQUNH-HXUWFJFHSA-N 1 0 384.593 5.208 50 0 GKAARO COc1ccc(Br)cc1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000019832387 570223715 /nfs/dbraw/zinc/22/37/15/570223715.db2.gz BUTDVNHGOWMBSA-NRFANRHFSA-N 1 0 396.328 5.531 50 0 GKAARO CSc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019832114 570223858 /nfs/dbraw/zinc/22/38/58/570223858.db2.gz SAYNTFISQZSNQB-UHFFFAOYSA-N 1 0 388.536 5.219 50 0 GKAARO FC(F)(F)c1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019841219 570224790 /nfs/dbraw/zinc/22/47/90/570224790.db2.gz BVNIIQBIBMRWRO-UHFFFAOYSA-N 1 0 384.445 5.176 50 0 GKAARO C[N@@H+]1[C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2CC1(C)C ZINC000000813344 570224957 /nfs/dbraw/zinc/22/49/57/570224957.db2.gz KYSHZPJVXBNION-SFHVURJKSA-N 1 0 377.315 5.330 50 0 GKAARO Cc1cccc(C[N@H+](C)CCO[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000085406289 570225889 /nfs/dbraw/zinc/22/58/89/570225889.db2.gz ORPXSOIWLSNRCR-XMMPIXPASA-N 1 0 379.931 5.886 50 0 GKAARO c1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000019889240 570227593 /nfs/dbraw/zinc/22/75/93/570227593.db2.gz KIBCXFHHZDMDON-SXOMAYOGSA-N 1 0 395.571 7.051 50 0 GKAARO Cc1ccc(C)c(NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c1 ZINC000011608064 570233908 /nfs/dbraw/zinc/23/39/08/570233908.db2.gz MHUQAIWGXITLNE-UHFFFAOYSA-N 1 0 385.467 5.091 50 0 GKAARO C[N@H+](Cc1ccccc1NC(=O)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000048342823 570239995 /nfs/dbraw/zinc/23/99/95/570239995.db2.gz RLDXFXJVIVPCSO-UHFFFAOYSA-N 1 0 390.449 5.722 50 0 GKAARO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1C(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000006087004 570240145 /nfs/dbraw/zinc/24/01/45/570240145.db2.gz CHBMGSJSWVVCFL-JITQNUMCSA-N 1 0 385.592 5.134 50 0 GKAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c(F)c1 ZINC000020138493 570242326 /nfs/dbraw/zinc/24/23/26/570242326.db2.gz RTJTTWQXCDMBIS-CYBMUJFWSA-N 1 0 389.396 5.013 50 0 GKAARO O[C@H](C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000247800235 570246214 /nfs/dbraw/zinc/24/62/14/570246214.db2.gz UVSZGDFFYYPRTA-APWZRJJASA-N 1 0 375.946 5.144 50 0 GKAARO CC(C)(C)c1cc(-c2cc(C(C)(C)C)[s+]c(C(C)(C)C)c2)cc(C(C)(C)C)n1 ZINC000005284265 570262994 /nfs/dbraw/zinc/26/29/94/570262994.db2.gz YWVBFYCUPOTTCM-UHFFFAOYSA-N 1 0 398.680 8.281 50 0 GKAARO CCCCC[N@H+](C)Cc1csc(-c2cccc(-c3cccc(OCC)c3)c2)n1 ZINC000023321841 570268040 /nfs/dbraw/zinc/26/80/40/570268040.db2.gz GAHXDPSLWYKMAD-UHFFFAOYSA-N 1 0 394.584 6.498 50 0 GKAARO Cc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001909479 570270206 /nfs/dbraw/zinc/27/02/06/570270206.db2.gz LGWLGGJAFGWMQU-MHZLTWQESA-N 1 0 397.542 5.312 50 0 GKAARO CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C[NH+]2CCCC2)CCCC3)cc1 ZINC000002083459 570273901 /nfs/dbraw/zinc/27/39/01/570273901.db2.gz JXXAPGBVNABPQG-UHFFFAOYSA-N 1 0 396.600 5.773 50 0 GKAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000002180637 570277157 /nfs/dbraw/zinc/27/71/57/570277157.db2.gz ZSYNVNGIZNPTJT-IBGZPJMESA-N 1 0 395.587 5.959 50 0 GKAARO CC(C)[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000101159633 570281516 /nfs/dbraw/zinc/28/15/16/570281516.db2.gz KLOBRRLODJPCDR-XUJYPJAKSA-N 1 0 385.551 5.708 50 0 GKAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H](COc2cccc(C)c2)C1 ZINC000020916840 570284689 /nfs/dbraw/zinc/28/46/89/570284689.db2.gz QRTGOAHQJXNXEJ-GOSISDBHSA-N 1 0 382.529 5.311 50 0 GKAARO CCCC[N@H+](Cc1ccccc1)Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000002479772 570288228 /nfs/dbraw/zinc/28/82/28/570288228.db2.gz NOXRAMOQPWDITD-UHFFFAOYSA-N 1 0 379.931 6.935 50 0 GKAARO O=C(c1sc2ccccc2c1Cl)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021170956 570289066 /nfs/dbraw/zinc/28/90/66/570289066.db2.gz KVYUPTLJNFHQSS-INIZCTEOSA-N 1 0 390.980 5.425 50 0 GKAARO c1ccc(-c2cc(-c3ccccc3)[n+](Cc3cccnc3)c(-c3ccccc3)c2)cc1 ZINC000002570624 570290911 /nfs/dbraw/zinc/29/09/11/570290911.db2.gz WZMFRMQVPSWNPQ-UHFFFAOYSA-N 1 0 399.517 6.418 50 0 GKAARO c1ccc(Oc2cccc(CN3CCC([N@@H+]4CCc5ccccc5C4)CC3)c2)cc1 ZINC000002734449 570296633 /nfs/dbraw/zinc/29/66/33/570296633.db2.gz ZXXBDTLGWFTBAV-UHFFFAOYSA-N 1 0 398.550 5.502 50 0 GKAARO Cc1ccc(C(=O)N2C[C@@H](C[N@@H+](C)C3CCCCC3)[C@@H](c3ccccc3)C2)cc1 ZINC000034697643 570298820 /nfs/dbraw/zinc/29/88/20/570298820.db2.gz XWJLQGMZKSNDGA-ILBGXUMGSA-N 1 0 390.571 5.115 50 0 GKAARO O=C(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000034682631 570300620 /nfs/dbraw/zinc/30/06/20/570300620.db2.gz DHXYHBBCAYKOPO-UHFFFAOYSA-N 1 0 394.515 5.199 50 0 GKAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034682934 570300723 /nfs/dbraw/zinc/30/07/23/570300723.db2.gz DKCFGOKZULZWBV-UHFFFAOYSA-N 1 0 378.560 5.526 50 0 GKAARO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034683023 570301083 /nfs/dbraw/zinc/30/10/83/570301083.db2.gz NOGDGOLAGZNWPE-UHFFFAOYSA-N 1 0 378.560 5.526 50 0 GKAARO CC[NH+](CC)CCN(C)Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000022077770 570305334 /nfs/dbraw/zinc/30/53/34/570305334.db2.gz IQXOPWCXSZXVIE-UHFFFAOYSA-N 1 0 380.532 5.190 50 0 GKAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2sccc2C)CC1 ZINC000002828223 570305426 /nfs/dbraw/zinc/30/54/26/570305426.db2.gz FXTZFNUTQSKHMS-UHFFFAOYSA-N 1 0 384.589 5.097 50 0 GKAARO CC(C)CCOc1ccc([C@@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000725753 570306544 /nfs/dbraw/zinc/30/65/44/570306544.db2.gz BVFZXSGNFKRJJA-JWQCQUIFSA-N 1 0 381.560 5.415 50 0 GKAARO CCCOc1cc(Br)c(C[NH2+][C@H](C)c2ccccc2)cc1OCC ZINC000002845493 570307811 /nfs/dbraw/zinc/30/78/11/570307811.db2.gz JKPWOEQRJSGOTI-OAHLLOKOSA-N 1 0 392.337 5.487 50 0 GKAARO c1[nH]c2ccccc2c1CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022576388 570322196 /nfs/dbraw/zinc/32/21/96/570322196.db2.gz WITHESXLXQKZKE-UHFFFAOYSA-N 1 0 395.550 5.118 50 0 GKAARO Clc1ccc(C[NH2+]CC[C@@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000002997451 570324886 /nfs/dbraw/zinc/32/48/86/570324886.db2.gz GSHHIMAEHLLDTP-NRFANRHFSA-N 1 0 393.914 5.575 50 0 GKAARO CC[C@H](C)NC(=O)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739893 570327272 /nfs/dbraw/zinc/32/72/72/570327272.db2.gz VVJMFUZZRXYGJP-RBDMOPTHSA-N 1 0 384.951 5.208 50 0 GKAARO COc1cc(C[NH2+][C@@H](C)c2cccc3ccccc32)cc(Cl)c1OC(F)F ZINC000022787893 570327778 /nfs/dbraw/zinc/32/77/78/570327778.db2.gz HCZRPJSERJNCJH-ZDUSSCGKSA-N 1 0 391.845 5.954 50 0 GKAARO CCCC[N@H+](C)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000003138240 570330381 /nfs/dbraw/zinc/33/03/81/570330381.db2.gz FVYIMPLVUUSCJL-INIZCTEOSA-N 1 0 379.331 5.194 50 0 GKAARO C[NH+](C)CCCNc1nc(-c2ccccc2)nc2sc(-c3ccccc3)cc21 ZINC000003267643 570335125 /nfs/dbraw/zinc/33/51/25/570335125.db2.gz ZGVGNLZJVNDGNL-UHFFFAOYSA-N 1 0 388.540 5.389 50 0 GKAARO COc1cc(-c2ccc(C)cc2)cc2c1OCC[N@H+](Cc1sccc1C)C2 ZINC000014961102 570347302 /nfs/dbraw/zinc/34/73/02/570347302.db2.gz GNIMIYRWWGDVBF-UHFFFAOYSA-N 1 0 379.525 5.435 50 0 GKAARO Oc1ccc(C2=CC[N@H+](Cc3c(-c4ccccc4)nc4sccn34)CC2)cc1 ZINC000023200369 570350012 /nfs/dbraw/zinc/35/00/12/570350012.db2.gz AKCIDTBAVUDYQG-UHFFFAOYSA-N 1 0 387.508 5.058 50 0 GKAARO CC(C)(C)c1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000003681007 570350319 /nfs/dbraw/zinc/35/03/19/570350319.db2.gz YAGUEYUFTYXHLF-UHFFFAOYSA-N 1 0 395.562 6.416 50 0 GKAARO CC[N@@H+]1CCC[C@@H](OC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)C1 ZINC000004863430 570350445 /nfs/dbraw/zinc/35/04/45/570350445.db2.gz NNYLKITWDDAHQO-MRXNPFEDSA-N 1 0 394.902 5.196 50 0 GKAARO CCCCn1c2ccccc2n2cc(C[N@H+](C)C34CC5CC(CC(C5)C3)C4)nc21 ZINC000004007239 570354067 /nfs/dbraw/zinc/35/40/67/570354067.db2.gz PGFASMFJCWJHTA-UHFFFAOYSA-N 1 0 390.575 5.490 50 0 GKAARO CCCCC[NH+](CCCCC)CC(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000004115932 570358110 /nfs/dbraw/zinc/35/81/10/570358110.db2.gz PNCULSZTMXKGHN-UHFFFAOYSA-N 1 0 385.596 5.070 50 0 GKAARO CCOC(=O)CC1=CC(SCc2cc(C)ccc2C)=Nc2ccccc2N1 ZINC000035480714 570372588 /nfs/dbraw/zinc/37/25/88/570372588.db2.gz LKENRYSJSXSVAZ-UHFFFAOYSA-N 1 0 380.513 5.529 50 0 GKAARO Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000023990150 570376281 /nfs/dbraw/zinc/37/62/81/570376281.db2.gz FYJUUDVGFHMHGG-MRXNPFEDSA-N 1 0 390.512 5.034 50 0 GKAARO C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1cccc2ccccc21 ZINC000022787741 570377240 /nfs/dbraw/zinc/37/72/40/570377240.db2.gz GHCFSUIBMUNXGT-CYBMUJFWSA-N 1 0 384.273 5.182 50 0 GKAARO C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1cccc2ccccc21 ZINC000022787746 570377295 /nfs/dbraw/zinc/37/72/95/570377295.db2.gz GHCFSUIBMUNXGT-ZDUSSCGKSA-N 1 0 384.273 5.182 50 0 GKAARO CCCCCc1ccc(OCCCC[n+]2cccc(C)c2)c(CCCCC)c1 ZINC000004530583 570382337 /nfs/dbraw/zinc/38/23/37/570382337.db2.gz NRVQIWQMLUFSOV-UHFFFAOYSA-N 1 0 382.612 6.607 50 0 GKAARO CCCCCc1ccc(OCCCC[n+]2ccccc2C)c(CCCCC)c1 ZINC000004567065 570384916 /nfs/dbraw/zinc/38/49/16/570384916.db2.gz MDCBYWYOWYEYRK-UHFFFAOYSA-N 1 0 382.612 6.607 50 0 GKAARO Cc1ccc([C@H](OCC[NH2+]C2C3CC4CC(C3)CC2C4)c2ccccc2)cc1 ZINC000004655716 570389691 /nfs/dbraw/zinc/38/96/91/570389691.db2.gz HAWKQNRVBVPIDQ-MMQQAGNCSA-N 1 0 375.556 5.515 50 0 GKAARO c1cc(-c2nc(C[NH2+][C@H](Cc3ccccc3)c3ccccc3)cs2)cs1 ZINC000024734486 570390680 /nfs/dbraw/zinc/39/06/80/570390680.db2.gz BKMSZYDOPKMOHD-OAQYLSRUSA-N 1 0 376.550 5.945 50 0 GKAARO Clc1ccc([C@H]2[C@@H]3CCCC[C@]3([NH+]3CCCC3)ON2c2ccccc2)cc1 ZINC000004671106 570391740 /nfs/dbraw/zinc/39/17/40/570391740.db2.gz VTHPIPJKAPTIFC-VABKMULXSA-N 1 0 382.935 5.815 50 0 GKAARO Clc1ccc([C@@H]2[C@@H]3CCCC[C@]3([NH+]3CCCC3)ON2c2ccccc2)cc1 ZINC000004671105 570391862 /nfs/dbraw/zinc/39/18/62/570391862.db2.gz VTHPIPJKAPTIFC-ZRBLBEILSA-N 1 0 382.935 5.815 50 0 GKAARO O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000032868982 570395848 /nfs/dbraw/zinc/39/58/48/570395848.db2.gz WYCGDPKLVLKNDB-NTCAYCPXSA-N 1 0 397.522 5.490 50 0 GKAARO COc1ccc(C[N@H+](Cc2nc3ccccc3o2)[C@@H](C)Cc2cccs2)cc1 ZINC000024892682 570397847 /nfs/dbraw/zinc/39/78/47/570397847.db2.gz ISETZIVDTGKFDB-KRWDZBQOSA-N 1 0 392.524 5.531 50 0 GKAARO CC[NH+](CC)Cc1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1 ZINC000024926618 570398691 /nfs/dbraw/zinc/39/86/91/570398691.db2.gz DGASTZKBJBGHCB-UHFFFAOYSA-N 1 0 385.558 5.274 50 0 GKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)-c1c(C)cccc1OC2 ZINC000005048739 570406250 /nfs/dbraw/zinc/40/62/50/570406250.db2.gz SNPZAPUHUAJKBU-SFHVURJKSA-N 1 0 398.572 5.000 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004808935 570406735 /nfs/dbraw/zinc/40/67/35/570406735.db2.gz AKQUMANZBQUAEU-OFNKIYASSA-N 1 0 385.523 5.303 50 0 GKAARO CC[C@]1(C)C[C@@H]([C@@H](CC[NH2+]Cc2ccc(F)cc2)c2ccc(C)cc2)CCO1 ZINC000004815158 570408002 /nfs/dbraw/zinc/40/80/02/570408002.db2.gz CWHCPPKINMQAJH-ZKMPZPQNSA-N 1 0 383.551 5.993 50 0 GKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005093857 570415795 /nfs/dbraw/zinc/41/57/95/570415795.db2.gz CNQGAEKVQKGUFW-OAQYLSRUSA-N 1 0 395.934 5.086 50 0 GKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccccc2)cc1 ZINC000004904198 570416699 /nfs/dbraw/zinc/41/66/99/570416699.db2.gz ZKOPICUJOZTLHU-UHFFFAOYSA-N 1 0 389.495 5.059 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@@H+](CCC(C)C)Cc2ccccc2F)c1 ZINC000005100382 570416833 /nfs/dbraw/zinc/41/68/33/570416833.db2.gz FIMAHMUFBZWSGY-UHFFFAOYSA-N 1 0 378.535 6.032 50 0 GKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(F)cc2)(c2ccccc2OC)CCO1 ZINC000004951126 570419631 /nfs/dbraw/zinc/41/96/31/570419631.db2.gz JNPXRELHFXVHQB-RPWUZVMVSA-N 1 0 385.523 5.231 50 0 GKAARO CC[NH+](CC)CCN(C(=O)/C=C/c1cccs1)c1nc2ccc(C)cc2s1 ZINC000005121779 570421766 /nfs/dbraw/zinc/42/17/66/570421766.db2.gz CMDGQZQOVNIXIV-PKNBQFBNSA-N 1 0 399.585 5.054 50 0 GKAARO COc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000005019732 570424358 /nfs/dbraw/zinc/42/43/58/570424358.db2.gz PCBHYDJSUMEFMJ-UHFFFAOYSA-N 1 0 391.895 5.418 50 0 GKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000005027708 570424727 /nfs/dbraw/zinc/42/47/27/570424727.db2.gz WBWFQGCNSJCFDP-KRWDZBQOSA-N 1 0 381.903 5.778 50 0 GKAARO O=C(NC1CCCCC1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000005073041 570428047 /nfs/dbraw/zinc/42/80/47/570428047.db2.gz INUADVSRRVLGHS-UHFFFAOYSA-N 1 0 390.571 5.204 50 0 GKAARO CCCC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000005152923 570429086 /nfs/dbraw/zinc/42/90/86/570429086.db2.gz YETVLGOGPIZJJH-LOSJGSFVSA-N 1 0 381.560 5.343 50 0 GKAARO Cc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027584462 570436850 /nfs/dbraw/zinc/43/68/50/570436850.db2.gz UXVCREADJRDTSU-DEOSSOPVSA-N 1 0 394.559 5.129 50 0 GKAARO CC[NH+](CC)[C@@H](C)CCCNP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000005591637 570447932 /nfs/dbraw/zinc/44/79/32/570447932.db2.gz KDGBSOXNRBWLFN-IBGZPJMESA-N 1 0 390.464 5.353 50 0 GKAARO Cc1nn2c(nc3c(c2Nc2ccc(N(C)C)cc2)CCCC3)c1-c1ccccc1 ZINC000002239087 570450342 /nfs/dbraw/zinc/45/03/42/570450342.db2.gz CWSWDJDFJOXHEC-UHFFFAOYSA-N 1 0 397.526 5.393 50 0 GKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000028287803 570454553 /nfs/dbraw/zinc/45/45/53/570454553.db2.gz GKTLHMHNEFVDME-INIZCTEOSA-N 1 0 388.920 5.023 50 0 GKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028290330 570455530 /nfs/dbraw/zinc/45/55/30/570455530.db2.gz VEGDGZOBYLZYBF-OAQYLSRUSA-N 1 0 392.543 5.380 50 0 GKAARO Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028289718 570455698 /nfs/dbraw/zinc/45/56/98/570455698.db2.gz VSUZLIIUTRACJJ-HXUWFJFHSA-N 1 0 378.516 5.071 50 0 GKAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000028290760 570455996 /nfs/dbraw/zinc/45/59/96/570455996.db2.gz XZQUTBHZWXBYAW-IBGZPJMESA-N 1 0 384.907 5.044 50 0 GKAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000028290762 570456064 /nfs/dbraw/zinc/45/60/64/570456064.db2.gz XZQUTBHZWXBYAW-LJQANCHMSA-N 1 0 384.907 5.044 50 0 GKAARO Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000028293267 570457022 /nfs/dbraw/zinc/45/70/22/570457022.db2.gz PXSITLVAWQGVJE-SFHVURJKSA-N 1 0 382.529 5.068 50 0 GKAARO Cc1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000028293066 570457050 /nfs/dbraw/zinc/45/70/50/570457050.db2.gz WTZNQZXMIXOVGQ-QHCPKHFHSA-N 1 0 378.560 5.250 50 0 GKAARO Cc1c(C)n(C[C@@H](O)C[NH+](C2CCCCC2)C2CCCCC2)c2ccc(C)cc12 ZINC000028297122 570457567 /nfs/dbraw/zinc/45/75/67/570457567.db2.gz ZOVVJHOAXYJJIG-XMMPIXPASA-N 1 0 396.619 5.895 50 0 GKAARO CCOc1ccc(Oc2ccc(NC(=O)C[N@H+](C)C3CCCCC3)cc2)cc1 ZINC000006510070 570462419 /nfs/dbraw/zinc/46/24/19/570462419.db2.gz LFXADSGOEIDZNC-UHFFFAOYSA-N 1 0 382.504 5.081 50 0 GKAARO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(F)c1 ZINC000035841005 570463429 /nfs/dbraw/zinc/46/34/29/570463429.db2.gz RGQXMEJJOIIIBT-UHFFFAOYSA-N 1 0 382.498 5.863 50 0 GKAARO Cc1ccc(C[N@H+](Cc2cccn2Cc2ccccc2C)Cc2ccccc2)cc1 ZINC000035841100 570463874 /nfs/dbraw/zinc/46/38/74/570463874.db2.gz GKILOOFTTIDBCP-UHFFFAOYSA-N 1 0 394.562 6.356 50 0 GKAARO Cc1ccccc1Cn1cccc1C[N@H+](Cc1cccc(F)c1)[C@@H](C)C(C)C ZINC000035841110 570463982 /nfs/dbraw/zinc/46/39/82/570463982.db2.gz OGGLOOZTDZOEEG-NRFANRHFSA-N 1 0 378.535 6.031 50 0 GKAARO Cc1ccccc1C[N@H+](Cc1cccn1Cc1cccc(F)c1)C1CCCCC1 ZINC000035841115 570464057 /nfs/dbraw/zinc/46/40/57/570464057.db2.gz DHMMYBKSAAHYBD-UHFFFAOYSA-N 1 0 390.546 6.319 50 0 GKAARO CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000035843769 570464329 /nfs/dbraw/zinc/46/43/29/570464329.db2.gz AHYISSHOCDSJBD-LJQANCHMSA-N 1 0 398.953 6.376 50 0 GKAARO Cc1ccc2c(C[NH+]3CCC(c4nc5ccccc5s4)CC3)cc(=O)oc2c1 ZINC000006589309 570485660 /nfs/dbraw/zinc/48/56/60/570485660.db2.gz SIFHWFXOSJHUNY-UHFFFAOYSA-N 1 0 390.508 5.091 50 0 GKAARO COc1ccc(C[NH2+][C@H](C)c2cc3ccccc3o2)cc1OCc1cccnc1 ZINC000030545635 570490861 /nfs/dbraw/zinc/49/08/61/570490861.db2.gz DTESKIKVQXTSBT-QGZVFWFLSA-N 1 0 388.467 5.266 50 0 GKAARO C[NH+]1CCC([C@H]2Sc3ccccc3Oc3ccc(C(F)(F)F)cc32)CC1 ZINC000033885028 570491479 /nfs/dbraw/zinc/49/14/79/570491479.db2.gz DIHFQNZHVKVWQZ-LJQANCHMSA-N 1 0 379.447 5.986 50 0 GKAARO Cc1cc(NCCNc2ncc(C(F)(F)F)cc2Cl)c2ccccc2[nH+]1 ZINC000089583203 570494790 /nfs/dbraw/zinc/49/47/90/570494790.db2.gz JLVNAYMMERNQNJ-UHFFFAOYSA-N 1 0 380.801 5.134 50 0 GKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000006857363 570497047 /nfs/dbraw/zinc/49/70/47/570497047.db2.gz FBKRQTKIUSIJGV-UHFFFAOYSA-N 1 0 377.931 6.363 50 0 GKAARO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1cccc(F)c1 ZINC000005190349 570499044 /nfs/dbraw/zinc/49/90/44/570499044.db2.gz UCEGOWGVZLOCAE-QTJGBDASSA-N 1 0 383.507 5.093 50 0 GKAARO CCOC(=O)Cn1cc(C[N@@H+]2CCCCC[C@H]2c2cccs2)c2ccccc21 ZINC000033087063 570519445 /nfs/dbraw/zinc/51/94/45/570519445.db2.gz SAZWKUDQMBYFJZ-NRFANRHFSA-N 1 0 396.556 5.383 50 0 GKAARO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000006654495 570521077 /nfs/dbraw/zinc/52/10/77/570521077.db2.gz DNGMCPXIXFCQMD-UHFFFAOYSA-N 1 0 394.584 5.261 50 0 GKAARO Clc1ccc([C@H](CC[NH+]2Cc3ccccc3C2)Cc2ccccc2Cl)cc1 ZINC000006661318 570525295 /nfs/dbraw/zinc/52/52/95/570525295.db2.gz YQFIRNJNNWCNNX-LJQANCHMSA-N 1 0 396.361 6.726 50 0 GKAARO CN1CCC([NH2+]CC[C@H](Cc2ccccc2Cl)c2ccc(Cl)cc2)CC1 ZINC000006669507 570527481 /nfs/dbraw/zinc/52/74/81/570527481.db2.gz DKNCARCJZJDXNC-GOSISDBHSA-N 1 0 391.386 5.394 50 0 GKAARO COc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc1 ZINC000032960481 570529286 /nfs/dbraw/zinc/52/92/86/570529286.db2.gz URHHQXYYRHOBNK-UHFFFAOYSA-N 1 0 380.398 5.068 50 0 GKAARO CC1(C)C[C@H]([C@@H](CC[NH2+]Cc2cccnc2)Cc2ccccc2Cl)CCO1 ZINC000006673711 570529351 /nfs/dbraw/zinc/52/93/51/570529351.db2.gz STVWFWWVHLSYSO-PZJWPPBQSA-N 1 0 386.967 5.279 50 0 GKAARO CC1=C(CC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C(C)(C)CCC1 ZINC000000756622 570533831 /nfs/dbraw/zinc/53/38/31/570533831.db2.gz MNIYEJYDLLSSRA-UHFFFAOYSA-N 1 0 380.498 5.744 50 0 GKAARO CC[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(c1nc(-c3ccccc3)cs1)[NH2+]2 ZINC000005274989 570547897 /nfs/dbraw/zinc/54/78/97/570547897.db2.gz LAORYDCCCIFVJH-DFHBCGBQSA-N 1 0 395.450 5.063 50 0 GKAARO Clc1ccc(OCCCC[N@@H+]2CCCC[C@H]2c2cccnc2)c(Cl)c1 ZINC000006719407 570548044 /nfs/dbraw/zinc/54/80/44/570548044.db2.gz CTLQOGDOXJLDLY-IBGZPJMESA-N 1 0 379.331 5.775 50 0 biogenic GKAARO COc1ccc([C@](O)(CCC(C)C)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006743805 570563823 /nfs/dbraw/zinc/56/38/23/570563823.db2.gz RBTQRRLXXCEYGE-LOSJGSFVSA-N 1 0 381.560 5.199 50 0 GKAARO C[N@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000006750541 570568314 /nfs/dbraw/zinc/56/83/14/570568314.db2.gz FRLCDNZZDOBDGI-UHFFFAOYSA-N 1 0 392.330 5.122 50 0 GKAARO COc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000010436006 570570763 /nfs/dbraw/zinc/57/07/63/570570763.db2.gz GHWNTMRWFCVGTD-UHFFFAOYSA-N 1 0 388.722 5.732 50 0 GKAARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)cc1C ZINC000037522484 570572864 /nfs/dbraw/zinc/57/28/64/570572864.db2.gz UFGKNYZIXSUDCI-QHCPKHFHSA-N 1 0 398.472 6.119 50 0 GKAARO C[N@@H+]1CCCC[C@H]1Cn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000038465932 570579178 /nfs/dbraw/zinc/57/91/78/570579178.db2.gz JRECAXBHMULNJQ-MOVGKWKRSA-N 1 0 390.571 5.525 50 0 in-vitro GKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](CCC(C)C)CC2)c1 ZINC000011879840 570591254 /nfs/dbraw/zinc/59/12/54/570591254.db2.gz KNLCAXXCNBRHQQ-UHFFFAOYSA-N 1 0 380.532 5.059 50 0 GKAARO COc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1OC ZINC000005460635 570603822 /nfs/dbraw/zinc/60/38/22/570603822.db2.gz PLQFJQJXWJVEDR-PZJWPPBQSA-N 1 0 385.467 5.200 50 0 GKAARO Clc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c(Cl)c1 ZINC000005460682 570603827 /nfs/dbraw/zinc/60/38/27/570603827.db2.gz LGGACSMJQBHJJC-TZIWHRDSSA-N 1 0 394.305 6.489 50 0 GKAARO CC[C@]1(C)C[C@@](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)(CCC(C)C)CCO1 ZINC000005478665 570608555 /nfs/dbraw/zinc/60/85/55/570608555.db2.gz OVJXVHHKPLUBEK-WWPVKYPJSA-N 1 0 380.016 6.782 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc1 ZINC000005500136 570614718 /nfs/dbraw/zinc/61/47/18/570614718.db2.gz VKNDOFXTCCPRML-DEOSSOPVSA-N 1 0 379.475 5.155 50 0 GKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3cccc(Cl)c3C)CC2)c1 ZINC000006819334 570621556 /nfs/dbraw/zinc/62/15/56/570621556.db2.gz BYTYTAJKQMBGNK-UHFFFAOYSA-N 1 0 399.966 5.299 50 0 GKAARO COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1 ZINC000042915167 570623858 /nfs/dbraw/zinc/62/38/58/570623858.db2.gz TWIHFUGPPGEEDD-GOSISDBHSA-N 1 0 381.907 5.118 50 0 GKAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)o1 ZINC000043004941 570624889 /nfs/dbraw/zinc/62/48/89/570624889.db2.gz FBWJNHHXRKMOQI-INIZCTEOSA-N 1 0 389.421 5.377 50 0 GKAARO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](C[C@H]1CC=CCC1)C2 ZINC000012209442 570626688 /nfs/dbraw/zinc/62/66/88/570626688.db2.gz KXGOHKLMTDUCGL-INIZCTEOSA-N 1 0 392.524 5.220 50 0 GKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000036347333 570628764 /nfs/dbraw/zinc/62/87/64/570628764.db2.gz JZPGWRZLONRHNB-JOCHJYFZSA-N 1 0 384.445 5.811 50 0 GKAARO CCOc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)C)cc2)cc1 ZINC000036347751 570630339 /nfs/dbraw/zinc/63/03/39/570630339.db2.gz RIJNJSBHQNIIEB-AREMUKBSSA-N 1 0 388.555 6.006 50 0 GKAARO CCOc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)C)cc2)cc1 ZINC000036347752 570630357 /nfs/dbraw/zinc/63/03/57/570630357.db2.gz RIJNJSBHQNIIEB-SANMLTNESA-N 1 0 388.555 6.006 50 0 GKAARO COc1ccc(OC)c(C[N@@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)c1 ZINC000036348134 570630706 /nfs/dbraw/zinc/63/07/06/570630706.db2.gz RQONBWWAEZTKLP-VWLOTQADSA-N 1 0 390.527 5.117 50 0 GKAARO CCc1ccccc1[C@H]1c2cccn2CCC[N@H+]1Cc1cc(OC)cc(OC)c1 ZINC000036348574 570630755 /nfs/dbraw/zinc/63/07/55/570630755.db2.gz JRWJJQSSGBJAJE-VWLOTQADSA-N 1 0 390.527 5.063 50 0 GKAARO CSc1cccc(C[NH2+][C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)c1 ZINC000012298921 570634778 /nfs/dbraw/zinc/63/47/78/570634778.db2.gz MCLJYVMLFASZFL-FQEVSTJZSA-N 1 0 385.483 5.040 50 0 GKAARO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000045221528 570646630 /nfs/dbraw/zinc/64/66/30/570646630.db2.gz NOQYIASRNSNDSL-GUDVDZBRSA-N 1 0 387.608 6.090 50 0 GKAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(OCc3ccccc3)c2)cnn1-c1ccccc1 ZINC000012476075 570673727 /nfs/dbraw/zinc/67/37/27/570673727.db2.gz ALFHSBRLQQHFBI-HXUWFJFHSA-N 1 0 397.522 5.611 50 0 GKAARO CC(C)(C)c1cc(/C=C/c2ccc(-c3ccccc3)cc2)[s+]c(C(C)(C)C)c1 ZINC000685944383 570675267 /nfs/dbraw/zinc/67/52/67/570675267.db2.gz GIKFURDBMNWXLC-SAPNQHFASA-N 1 0 387.612 8.462 50 0 GKAARO C[N+]1=C(/C=C/C=C2c3ccccc3Sc3ccccc32)C(C)(C)c2ccccc21 ZINC000685944479 570675850 /nfs/dbraw/zinc/67/58/50/570675850.db2.gz QOWIGEFOJUZACI-VCHYOVAHSA-N 1 0 394.563 6.845 50 0 GKAARO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1Cc1cccc(F)c1 ZINC000013769850 570677269 /nfs/dbraw/zinc/67/72/69/570677269.db2.gz UCEGOWGVZLOCAE-QPTUXGOLSA-N 1 0 383.507 5.093 50 0 GKAARO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3cccc(OC)c3)c(C)o2)cc1 ZINC000012573584 570681832 /nfs/dbraw/zinc/68/18/32/570681832.db2.gz YUPAMTGQBKYBNA-QHCPKHFHSA-N 1 0 392.499 5.394 50 0 GKAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000055542880 570695929 /nfs/dbraw/zinc/69/59/29/570695929.db2.gz VLZOVNZPTTZJGN-UHFFFAOYSA-N 1 0 396.456 5.695 50 0 GKAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)c3ccccc3Cl)c2)cc1 ZINC000017314501 570703987 /nfs/dbraw/zinc/70/39/87/570703987.db2.gz PSZIFQHZYOEEFK-KRWDZBQOSA-N 1 0 378.903 5.752 50 0 GKAARO CC[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(C)cc1 ZINC000017313313 570704021 /nfs/dbraw/zinc/70/40/21/570704021.db2.gz YMIFLLJNPRLMFG-HSZRJFAPSA-N 1 0 392.930 6.142 50 0 GKAARO Cc1noc(C)c1COc1ccc(C[NH2+][C@H](c2cccs2)C(C)(C)C)cc1 ZINC000058014439 570707332 /nfs/dbraw/zinc/70/73/32/570707332.db2.gz HBZOEAVKOGWMLH-OAQYLSRUSA-N 1 0 384.545 5.809 50 0 GKAARO O=C(O[C@H](CC[NH+]1CCCCC1)c1ccccc1)C1(c2ccccc2)CCCC1 ZINC000004364683 570711077 /nfs/dbraw/zinc/71/10/77/570711077.db2.gz BZMZWKSKBOURSX-XMMPIXPASA-N 1 0 391.555 5.659 50 0 GKAARO c1c(C[NH2+][C@@H]2CCCc3ccccc32)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000058157774 570711699 /nfs/dbraw/zinc/71/16/99/570711699.db2.gz FWYJETBKUSGMAC-RUZDIDTESA-N 1 0 394.522 5.161 50 0 GKAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000058160469 570712381 /nfs/dbraw/zinc/71/23/81/570712381.db2.gz PVFZWFJADGZLKZ-INIZCTEOSA-N 1 0 398.428 5.662 50 0 GKAARO CSc1ccc(C[N@H+](C)Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1 ZINC000058159117 570712417 /nfs/dbraw/zinc/71/24/17/570712417.db2.gz YEFZNNAVSJTGMF-UHFFFAOYSA-N 1 0 381.541 5.579 50 0 GKAARO C[C@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006940549 570713782 /nfs/dbraw/zinc/71/37/82/570713782.db2.gz MYMZZYMNEYVILS-GTNSWQLSSA-N 1 0 397.733 5.641 50 0 GKAARO CC[N@H+](Cc1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)cc1)C(C)C ZINC000058244780 570722517 /nfs/dbraw/zinc/72/25/17/570722517.db2.gz DIWSNMHXHYKRJM-HSZRJFAPSA-N 1 0 376.500 5.029 50 0 GKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000000935747 570726900 /nfs/dbraw/zinc/72/69/00/570726900.db2.gz SCNUURDAUCZNEA-FQEVSTJZSA-N 1 0 380.513 5.395 50 0 GKAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1Cl ZINC000005611037 570734881 /nfs/dbraw/zinc/73/48/81/570734881.db2.gz BEWVWNGYSGPFME-DUPGQGGVSA-N 1 0 391.942 5.726 50 0 GKAARO CN1N=C2/C(=C/c3ccccc3)C[N@@H+](Cc3ccccc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000063111069 570749660 /nfs/dbraw/zinc/74/96/60/570749660.db2.gz SPPOYKISQNMIHA-GEYYJOTKSA-N 1 0 393.534 5.245 50 0 GKAARO C[C@@H]1[C@H](c2ccccc2)[NH+](C)[C@@H](c2ccccc2)[C@@H](C)C1(O)c1ccc(F)cc1 ZINC000013468133 570755144 /nfs/dbraw/zinc/75/51/44/570755144.db2.gz FTGMSKYZJVDEFA-PIYXRGFCSA-N 1 0 389.514 5.714 50 0 GKAARO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC000013758882 570785899 /nfs/dbraw/zinc/78/58/99/570785899.db2.gz BYWHFODVRVSDOY-YMPZKCBVSA-N 1 0 385.935 5.217 50 0 GKAARO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1Cc1ccccc1Cl ZINC000013759358 570786247 /nfs/dbraw/zinc/78/62/47/570786247.db2.gz BUZOOTVRWDNERF-WWPVKYPJSA-N 1 0 385.935 5.217 50 0 GKAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1sc2ccccc2c1Cl ZINC000032761909 570800719 /nfs/dbraw/zinc/80/07/19/570800719.db2.gz DKGJGNIRHJVOBU-CQSZACIVSA-N 1 0 390.961 5.183 50 0 GKAARO O=C(CCC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(C2CCCC2)cc1 ZINC000005682050 570808109 /nfs/dbraw/zinc/80/81/09/570808109.db2.gz PWETWVJOLJVTCB-UHFFFAOYSA-N 1 0 391.555 5.291 50 0 GKAARO CC(C)c1cccc(C(C)C)c1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000034929617 570811034 /nfs/dbraw/zinc/81/10/34/570811034.db2.gz CEMSRSNYEGPJLB-UHFFFAOYSA-N 1 0 393.575 5.720 50 0 GKAARO C[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000004668306 570814813 /nfs/dbraw/zinc/81/48/13/570814813.db2.gz FKTQWQHUUZIQEN-HNAYVOBHSA-N 1 0 380.001 5.012 50 0 GKAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1cccc(Oc2ccccc2)c1 ZINC000004678234 570823679 /nfs/dbraw/zinc/82/36/79/570823679.db2.gz JCBLYBNKPQQXAW-UHFFFAOYSA-N 1 0 389.886 6.145 50 0 GKAARO CSc1ccc(CNc2[nH+]cc(-c3cccc(Br)c3)n2C)cc1 ZINC000004678216 570823857 /nfs/dbraw/zinc/82/38/57/570823857.db2.gz IPZMBLGOUXEXPO-UHFFFAOYSA-N 1 0 388.334 5.184 50 0 GKAARO CSc1ccc(CNc2[nH+]cc(-c3ccc(-c4ccccc4)cc3)n2C)cc1 ZINC000004678368 570824086 /nfs/dbraw/zinc/82/40/86/570824086.db2.gz QRTYGAGDDICTNW-UHFFFAOYSA-N 1 0 385.536 6.088 50 0 GKAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1c(F)cccc1Br ZINC000004678412 570824093 /nfs/dbraw/zinc/82/40/93/570824093.db2.gz BHEXJVLFVGWNRS-UHFFFAOYSA-N 1 0 394.675 5.254 50 0 GKAARO CC(C)c1ccc(CNc2[nH+]cc(-c3cccc(Br)c3)n2C)cc1 ZINC000004678286 570824112 /nfs/dbraw/zinc/82/41/12/570824112.db2.gz SCUDXCKJBAFXLU-UHFFFAOYSA-N 1 0 384.321 5.585 50 0 GKAARO COc1ccc(CNc2[nH+]cc(-c3ccc(-c4ccccc4)cc3)n2C)cc1OC ZINC000004678473 570824218 /nfs/dbraw/zinc/82/42/18/570824218.db2.gz NITZRHZHFHCPKN-UHFFFAOYSA-N 1 0 399.494 5.383 50 0 GKAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1c(F)cccc1Cl ZINC000004678324 570824475 /nfs/dbraw/zinc/82/44/75/570824475.db2.gz MSMLNEHVYXOXPH-UHFFFAOYSA-N 1 0 394.675 5.254 50 0 GKAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(OCc4ccccc4)cc3)n2C)cc1 ZINC000004678548 570824608 /nfs/dbraw/zinc/82/46/08/570824608.db2.gz QZCWYBYQSKCTIK-UHFFFAOYSA-N 1 0 383.495 5.587 50 0 GKAARO COc1ccc(OC)c(CNc2[nH+]cc(-c3ccc(-c4ccccc4)cc3)n2C)c1 ZINC000004678691 570824747 /nfs/dbraw/zinc/82/47/47/570824747.db2.gz WJURWVVJVBMNES-UHFFFAOYSA-N 1 0 399.494 5.383 50 0 GKAARO COCCn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1c(F)cccc1Cl ZINC000004678799 570824798 /nfs/dbraw/zinc/82/47/98/570824798.db2.gz OYGIWUHIODRIEW-UHFFFAOYSA-N 1 0 394.277 5.255 50 0 GKAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1ccccc1Cl ZINC000004678718 570824972 /nfs/dbraw/zinc/82/49/72/570824972.db2.gz RMHAFQYRTPXYKN-UHFFFAOYSA-N 1 0 376.685 5.115 50 0 GKAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(OCc4ccccc4)cc3)n2C)cc1C ZINC000004678998 570825197 /nfs/dbraw/zinc/82/51/97/570825197.db2.gz NTYOKOAYVDRASC-UHFFFAOYSA-N 1 0 397.522 5.895 50 0 GKAARO CCCCn1c(-c2ccc(OCC)cc2)c[nH+]c1NCc1ccccc1Cl ZINC000004679427 570825424 /nfs/dbraw/zinc/82/54/24/570825424.db2.gz RQDAHUBUEDFLMC-UHFFFAOYSA-N 1 0 383.923 6.014 50 0 GKAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000004700266 570844153 /nfs/dbraw/zinc/84/41/53/570844153.db2.gz QVQNZDVPQBEWKT-UHFFFAOYSA-N 1 0 398.978 5.381 50 0 GKAARO CNc1cc(C)[nH+]c(NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)n1 ZINC000071738621 570844739 /nfs/dbraw/zinc/84/47/39/570844739.db2.gz CVFRZGFTILSCDQ-UHFFFAOYSA-N 1 0 375.451 5.035 50 0 GKAARO CC(C)(C)c1cc(C[N@H+]2CC=C(c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000003292794 570852942 /nfs/dbraw/zinc/85/29/42/570852942.db2.gz YNQSTYMXSDATDX-UHFFFAOYSA-N 1 0 377.572 6.277 50 0 GKAARO CCCC[N@H+](CCCNC(=O)CSCc1ccc(C)cc1)Cc1ccccc1 ZINC000004709068 570855400 /nfs/dbraw/zinc/85/54/00/570855400.db2.gz ZMOPIJURKXSXQX-UHFFFAOYSA-N 1 0 398.616 5.037 50 0 GKAARO O=C1CC[C@@H]([N@@H+]2CC[C@@H]3CCCC[C@H]3C2)CCN1Cc1ccc2ccccc2c1 ZINC000014960753 570866742 /nfs/dbraw/zinc/86/67/42/570866742.db2.gz DOFQGSKQSATEIK-ZKMPZPQNSA-N 1 0 390.571 5.233 50 0 GKAARO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012568046 570871981 /nfs/dbraw/zinc/87/19/81/570871981.db2.gz ZRMOYBFYPALLGV-NVXWUHKLSA-N 1 0 390.512 5.287 50 0 GKAARO CNc1nc(C[N@@H+]2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)cs1 ZINC000072171124 570877583 /nfs/dbraw/zinc/87/75/83/570877583.db2.gz UDTYSMPDIJYGPK-OAHLLOKOSA-N 1 0 383.483 5.048 50 0 GKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2c(Cl)cccc2Cl)N3)C1 ZINC000004554061 570880697 /nfs/dbraw/zinc/88/06/97/570880697.db2.gz ZQRDBJYKDHZHEK-MRXNPFEDSA-N 1 0 396.343 5.250 50 0 GKAARO COc1ccc(CC2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)cc1 ZINC000022347026 570887171 /nfs/dbraw/zinc/88/71/71/570887171.db2.gz FIEFZTDZCWTADA-UHFFFAOYSA-N 1 0 381.413 5.308 50 0 GKAARO Cc1ccc2c(CC(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)coc2c1 ZINC000032894175 570890932 /nfs/dbraw/zinc/89/09/32/570890932.db2.gz KFICNSNKIKZULR-UHFFFAOYSA-N 1 0 390.527 5.687 50 0 GKAARO CC(C)c1ccccc1NC(=S)N(CCC[NH+](C)C)Cc1cccs1 ZINC000015544287 570896467 /nfs/dbraw/zinc/89/64/67/570896467.db2.gz QVWXSZXAMFJMTC-UHFFFAOYSA-N 1 0 375.607 5.022 50 0 GKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(C)cc3)=NN12 ZINC000051329999 570923800 /nfs/dbraw/zinc/92/38/00/570923800.db2.gz DDNLDILWAAVVAZ-QHCPKHFHSA-N 1 0 389.543 5.049 50 0 GKAARO CC(C)CC[C@@]1(CC[NH2+]Cc2ccc(OC(C)C)cc2)CCO[C@@H](C(C)C)C1 ZINC000004073208 570929818 /nfs/dbraw/zinc/92/98/18/570929818.db2.gz ZMTXXFIESDXAOJ-JWQCQUIFSA-N 1 0 389.624 6.211 50 0 biogenic GKAARO CC(C)CC[C@@]1(CC[NH2+]Cc2ccc(OC(C)C)cc2)CCO[C@H](C(C)C)C1 ZINC000004073205 570929855 /nfs/dbraw/zinc/92/98/55/570929855.db2.gz ZMTXXFIESDXAOJ-LOSJGSFVSA-N 1 0 389.624 6.211 50 0 biogenic GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2cccc(F)c2F)[C@H](C)C(C)C)c1 ZINC000004735738 570949840 /nfs/dbraw/zinc/94/98/40/570949840.db2.gz LSDNCVFVCJTSAR-HXUWFJFHSA-N 1 0 396.525 6.170 50 0 GKAARO CC(C)C[NH+]1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000019113680 570956695 /nfs/dbraw/zinc/95/66/95/570956695.db2.gz YIZQMFXDQZYOEF-UHFFFAOYSA-N 1 0 375.516 5.141 50 0 GKAARO Clc1ccccc1C[NH+]1CCC(Nc2ccc(Br)cc2)CC1 ZINC000004749412 570961542 /nfs/dbraw/zinc/96/15/42/570961542.db2.gz GYRXXWUGQMHKTD-UHFFFAOYSA-N 1 0 379.729 5.179 50 0 GKAARO CCC(CC)C[NH+]1CCC(C(=O)Nc2ccccc2-c2cccc(OC)c2)CC1 ZINC000019228006 570964377 /nfs/dbraw/zinc/96/43/77/570964377.db2.gz ZWCZEIYDLXFWRI-UHFFFAOYSA-N 1 0 394.559 5.449 50 0 GKAARO Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N(C)C(c1ccccc1)=[NH+]2 ZINC000012699656 570965261 /nfs/dbraw/zinc/96/52/61/570965261.db2.gz UAUYNOHWCKZLJM-HSZRJFAPSA-N 1 0 378.479 5.294 50 0 GKAARO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)c1cc(Cl)c(N)c(Cl)c1 ZINC000252517866 570983923 /nfs/dbraw/zinc/98/39/23/570983923.db2.gz SYQUINBMOZCMBX-WTOJCKNJSA-N 1 0 398.403 5.371 50 0 GKAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cnn1C(C)C ZINC000252548997 570995088 /nfs/dbraw/zinc/99/50/88/570995088.db2.gz QOTGDXGEJBNDQL-MRXNPFEDSA-N 1 0 394.494 5.015 50 0 GKAARO CC(C)[C@@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(F)cc1 ZINC000084456312 571019066 /nfs/dbraw/zinc/01/90/66/571019066.db2.gz DKUXBLVMTHUVAO-HSZRJFAPSA-N 1 0 381.470 5.126 50 0 GKAARO CC(C)[C@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(F)cc1 ZINC000084456310 571019165 /nfs/dbraw/zinc/01/91/65/571019165.db2.gz DKUXBLVMTHUVAO-QHCPKHFHSA-N 1 0 381.470 5.126 50 0 GKAARO CC[C@@H](C)c1ccc([C@@H]([NH2+]Cc2cc(=O)n3cc(C)ccc3n2)C(C)C)cc1 ZINC000007719029 571019553 /nfs/dbraw/zinc/01/95/53/571019553.db2.gz KFLHCPYOCSFYSL-KOSHJBKYSA-N 1 0 377.532 5.003 50 0 GKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)c(OC)c1 ZINC000037523151 571024426 /nfs/dbraw/zinc/02/44/26/571024426.db2.gz TXOHAZKJUYRHBU-RUZDIDTESA-N 1 0 390.527 5.117 50 0 GKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037523536 571025137 /nfs/dbraw/zinc/02/51/37/571025137.db2.gz LPKLCQDVHJRAJS-HSZRJFAPSA-N 1 0 398.472 6.065 50 0 GKAARO Cc1cccc(C[NH+]2CCC(N(C(=O)CC(C)C)c3ccc(F)cc3)CC2)c1 ZINC000037559564 571031395 /nfs/dbraw/zinc/03/13/95/571031395.db2.gz XTWIGILPQLYDGN-UHFFFAOYSA-N 1 0 382.523 5.178 50 0 GKAARO O=C(c1ccccc1)N(c1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037559529 571031417 /nfs/dbraw/zinc/03/14/17/571031417.db2.gz BNKUZLUGURXSPK-UHFFFAOYSA-N 1 0 388.486 5.137 50 0 GKAARO Cc1ccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000037560809 571031831 /nfs/dbraw/zinc/03/18/31/571031831.db2.gz XQIWBZNUIVINKU-UHFFFAOYSA-N 1 0 382.523 5.178 50 0 GKAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000015679744 571044591 /nfs/dbraw/zinc/04/45/91/571044591.db2.gz HDITZNCMTHFBGD-UHFFFAOYSA-N 1 0 391.968 5.228 50 0 GKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)cc2)(c2ccccc2OC)CCO1 ZINC000004951097 529411021 /nfs/dbraw/zinc/41/10/21/529411021.db2.gz ILQHKCVUXDKCEO-RPBOFIJWSA-N 1 0 397.559 5.101 50 0 GKAARO CCOc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(C)o1 ZINC000015073902 210149547 /nfs/dbraw/zinc/14/95/47/210149547.db2.gz ZQNKPBCNBNRWRT-HXUWFJFHSA-N 1 0 376.500 5.428 50 0 GKAARO COc1ccc2cc(C[NH2+]CCC3=CCCCC3)c(-c3ccsc3)nc2c1 ZINC000014992807 210140855 /nfs/dbraw/zinc/14/08/55/210140855.db2.gz QNVTYKGJZVLSDG-UHFFFAOYSA-N 1 0 378.541 5.952 50 0 GKAARO CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)C[NH2+]Cc1cccnc1 ZINC000254292732 222744635 /nfs/dbraw/zinc/74/46/35/222744635.db2.gz HLBOPDVKVWFGHS-CYXNTTPDSA-N 1 0 376.588 6.005 50 0 GKAARO C[N@H+](Cc1ccccc1NCC(=O)Nc1ccccc1Cl)C1CCCCC1 ZINC000013095653 210050139 /nfs/dbraw/zinc/05/01/39/210050139.db2.gz UYLHZAXKRUZWDL-UHFFFAOYSA-N 1 0 385.939 5.155 50 0 GKAARO Cc1nc(-c2cccc(NC(=O)C[NH2+][C@@H](c3cccs3)C(C)C)c2)cs1 ZINC000012810842 210013242 /nfs/dbraw/zinc/01/32/42/210013242.db2.gz YFJMYSJILKYCME-HXUWFJFHSA-N 1 0 385.558 5.105 50 0 GKAARO O=C(CCC1CC[NH+](CCCc2ccccc2)CC1)Nc1ccccc1Cl ZINC000012580797 209978780 /nfs/dbraw/zinc/97/87/80/209978780.db2.gz LMMUZEKNKUQTGP-UHFFFAOYSA-N 1 0 384.951 5.404 50 0 GKAARO CC1(C)C[C@](CC[NH2+]Cc2ccc(F)cc2)(Cc2ccccc2Cl)CCO1 ZINC000005298431 209586082 /nfs/dbraw/zinc/58/60/82/209586082.db2.gz ZROBBKQHGNWTQY-QHCPKHFHSA-N 1 0 389.942 5.777 50 0 GKAARO CCOc1ccc([C@](O)(CC(C)C)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004584043 209500030 /nfs/dbraw/zinc/50/00/30/209500030.db2.gz LZPLVFVRKBPIGV-IZZNHLLZSA-N 1 0 395.587 5.589 50 0 GKAARO CCCOc1ccccc1NC(=O)O[C@@H]1CCCCC[C@@H]1C[NH+]1CCCCC1 ZINC000004566650 209498469 /nfs/dbraw/zinc/49/84/69/209498469.db2.gz RSJGVQZYRUTBQS-TZIWHRDSSA-N 1 0 388.552 5.459 50 0 GKAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000002882048 209395143 /nfs/dbraw/zinc/39/51/43/209395143.db2.gz NSDDMMIRCSQFOH-UHFFFAOYSA-N 1 0 382.548 5.317 50 0 GKAARO CN(C(=O)OCc1ccccc1)[C@H](CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000002580961 209369525 /nfs/dbraw/zinc/36/95/25/209369525.db2.gz ZGRRONMCJIREIE-OAQYLSRUSA-N 1 0 386.923 5.136 50 0 GKAARO c1ccc(C[N@@H+]2CCCn3c4ccc(C5CCCCC5)cc4c4c3[C@@H]2CCC4)cc1 ZINC000002179586 209348739 /nfs/dbraw/zinc/34/87/39/209348739.db2.gz BOMULZWGJODZMX-MHZLTWQESA-N 1 0 398.594 6.972 50 0 GKAARO CCC[C@]1(O)C[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000002322036 209356184 /nfs/dbraw/zinc/35/61/84/209356184.db2.gz JNMBOTCAWAEZQM-MGNXDGSBSA-N 1 0 378.343 5.936 50 0 GKAARO Cc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001909475 209342730 /nfs/dbraw/zinc/34/27/30/209342730.db2.gz LGWLGGJAFGWMQU-HHHXNRCGSA-N 1 0 397.542 5.312 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000004027183 209232035 /nfs/dbraw/zinc/23/20/35/209232035.db2.gz QSHBTIIFXSODCK-YADHBBJMSA-N 1 0 397.559 5.173 50 0 biogenic GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1 ZINC000004027190 209231514 /nfs/dbraw/zinc/23/15/14/209231514.db2.gz DBOUKUPGIYVACZ-RBBKRZOGSA-N 1 0 397.559 5.173 50 0 biogenic GKAARO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1Cl ZINC000004084119 209231345 /nfs/dbraw/zinc/23/13/45/209231345.db2.gz CGAXGIVILAYNDK-ZTCOLXNVSA-N 1 0 399.962 5.607 50 0 GKAARO Clc1ccc(C[NH2+]CC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000001798341 209229196 /nfs/dbraw/zinc/22/91/96/209229196.db2.gz LEGHNZNZFBQOLP-NRFANRHFSA-N 1 0 379.887 5.381 50 0 biogenic GKAARO Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000646181 212168635 /nfs/dbraw/zinc/16/86/35/212168635.db2.gz BGOMNXYIVFEFTG-MHZLTWQESA-N 1 0 395.550 5.915 50 0 GKAARO c1sc2ccccc2c1-c1cc2c(c(OCc3ccccn3)c1)OCC[NH2+]C2 ZINC000299782436 212037820 /nfs/dbraw/zinc/03/78/20/212037820.db2.gz FZIOXSPDOHLVBK-UHFFFAOYSA-N 1 0 388.492 5.024 50 0 GKAARO COc1cc(-c2ccccc2C)cc2c1OCC[N@H+](Cc1sccc1C)C2 ZINC000299788102 212036964 /nfs/dbraw/zinc/03/69/64/212036964.db2.gz PYVWMRLGJKWDSF-UHFFFAOYSA-N 1 0 379.525 5.435 50 0 GKAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(Br)cc3)c2c1 ZINC000000952837 203867976 /nfs/dbraw/zinc/86/79/76/203867976.db2.gz WEQOINZUYNEWEH-UHFFFAOYSA-N 1 0 385.261 5.226 50 0 GKAARO C[N@H+](C1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1)C1CCCCCC1 ZINC000003061027 203984739 /nfs/dbraw/zinc/98/47/39/203984739.db2.gz HTPJVBWVHXMJAA-UHFFFAOYSA-N 1 0 397.991 5.295 50 0 GKAARO CCCCCOc1ccc([C@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004311495 204038396 /nfs/dbraw/zinc/03/83/96/204038396.db2.gz JXNYRXSQPUKFRJ-RPBOFIJWSA-N 1 0 381.560 5.559 50 0 GKAARO O=C(O[C@@H](CC[NH+]1CCCCC1)c1ccccc1)C1(c2ccccc2)CCCC1 ZINC000004364691 204041638 /nfs/dbraw/zinc/04/16/38/204041638.db2.gz BZMZWKSKBOURSX-DEOSSOPVSA-N 1 0 391.555 5.659 50 0 GKAARO CCCC[N@H+](CC)Cc1ccc(CNC(=S)Nc2c(C)cc(C)cc2C)o1 ZINC000003589092 204013858 /nfs/dbraw/zinc/01/38/58/204013858.db2.gz NMRNOEIYVKKYDF-UHFFFAOYSA-N 1 0 387.593 5.313 50 0 GKAARO Cc1ccc2nc(-c3ccc(NC(=O)C[N@H+]4CCCC[C@H]4C)cc3)sc2c1 ZINC000003583558 204014165 /nfs/dbraw/zinc/01/41/65/204014165.db2.gz OCGQAWKDWIGXSD-MRXNPFEDSA-N 1 0 379.529 5.085 50 0 GKAARO CC[NH+](CC)CCCN(Cc1ccco1)C(=S)Nc1ccc(C)c(Cl)c1 ZINC000003662326 204018212 /nfs/dbraw/zinc/01/82/12/204018212.db2.gz NSLQFOIAMPBEBI-UHFFFAOYSA-N 1 0 393.984 5.172 50 0 GKAARO Cc1ccc(NC(=S)N(CC[NH+]2CCCCCC2)Cc2cccs2)cc1 ZINC000003665448 204018427 /nfs/dbraw/zinc/01/84/27/204018427.db2.gz CDRVHOWGQFYJOZ-UHFFFAOYSA-N 1 0 387.618 5.132 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccc(F)c(F)c2)[C@@H](C)C(C)C)c1 ZINC000004910157 204089882 /nfs/dbraw/zinc/08/98/82/204089882.db2.gz WMOLBJCSTOHAFT-FQEVSTJZSA-N 1 0 396.525 6.170 50 0 GKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(F)cc2)(c2ccccc2OC)CCO1 ZINC000004951128 204095652 /nfs/dbraw/zinc/09/56/52/204095652.db2.gz JNPXRELHFXVHQB-ZEQRLZLVSA-N 1 0 385.523 5.231 50 0 GKAARO Cc1cc(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)nc2ccccc12 ZINC000005007194 204102735 /nfs/dbraw/zinc/10/27/35/204102735.db2.gz FGDZDIARDBXLSX-UHFFFAOYSA-N 1 0 391.518 5.435 50 0 GKAARO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+]([C@H]1CC[C@H](C)C1)CC2 ZINC000005033053 204104686 /nfs/dbraw/zinc/10/46/86/204104686.db2.gz ISLQETMKIRTGFE-FOMLIJIXSA-N 1 0 385.935 5.493 50 0 GKAARO CCCC[C@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000006811657 204210793 /nfs/dbraw/zinc/21/07/93/204210793.db2.gz TTWIFHZUPZDBJZ-RPBOFIJWSA-N 1 0 381.560 5.343 50 0 GKAARO CC[NH+]1CCC(N(Cc2ccco2)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000006877598 204218838 /nfs/dbraw/zinc/21/88/38/204218838.db2.gz YOZKDIUDYYLCJA-UHFFFAOYSA-N 1 0 396.318 5.105 50 0 GKAARO CC1(C)C[C@@H]([C@H](CC[NH2+]Cc2cccnc2)Cc2ccccc2Cl)CCO1 ZINC000006673718 204192149 /nfs/dbraw/zinc/19/21/49/204192149.db2.gz STVWFWWVHLSYSO-CTNGQTDRSA-N 1 0 386.967 5.279 50 0 GKAARO COc1ccc(C[NH2+]Cc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000007538588 204242299 /nfs/dbraw/zinc/24/22/99/204242299.db2.gz RWUDWWITVPVQEO-UHFFFAOYSA-N 1 0 397.902 5.226 50 0 GKAARO CC(C)(C)[C@H]1CCCC2=C1[NH+]=C1N=CNN1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000007699121 204246523 /nfs/dbraw/zinc/24/65/23/204246523.db2.gz NDHLSTZBSUTFHE-GMAHTHKFSA-N 1 0 384.527 5.713 50 0 GKAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(COc2ccccc2)cc1 ZINC000008708466 204284819 /nfs/dbraw/zinc/28/48/19/204284819.db2.gz AURBMGJITSOGEE-UHFFFAOYSA-N 1 0 386.495 5.114 50 0 GKAARO c1ccc(SCCOCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000009050590 204297572 /nfs/dbraw/zinc/29/75/72/204297572.db2.gz JAJPVHZBJVFUHV-UHFFFAOYSA-N 1 0 398.597 5.285 50 0 GKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000009942410 204327979 /nfs/dbraw/zinc/32/79/79/204327979.db2.gz QXOLCMNTWOGMCO-UHFFFAOYSA-N 1 0 390.531 5.075 50 0 GKAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1)Nc1ccccc1F ZINC000011934865 204361704 /nfs/dbraw/zinc/36/17/04/204361704.db2.gz HHOVNNGBIJEGAR-CQSZACIVSA-N 1 0 380.916 5.172 50 0 GKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000011934163 204362932 /nfs/dbraw/zinc/36/29/32/204362932.db2.gz XZXXJNUDZGSWQG-UHFFFAOYSA-N 1 0 396.918 5.485 50 0 GKAARO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012297468 204390687 /nfs/dbraw/zinc/39/06/87/204390687.db2.gz AXXYYFALLQKXAZ-IBGZPJMESA-N 1 0 376.525 5.052 50 0 GKAARO Cc1ccsc1C[N@@H+]1CCC[C@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 ZINC000014992167 204552255 /nfs/dbraw/zinc/55/22/55/204552255.db2.gz VFSOFEUHNODUGY-SFHVURJKSA-N 1 0 381.520 5.341 50 0 GKAARO COc1ccc(Br)cc1C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000019832388 204686894 /nfs/dbraw/zinc/68/68/94/204686894.db2.gz BUTDVNHGOWMBSA-OAQYLSRUSA-N 1 0 396.328 5.531 50 0 GKAARO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2ccccc2c1 ZINC000022199393 204776044 /nfs/dbraw/zinc/77/60/44/204776044.db2.gz UTJIVTRJHNHZCO-UHFFFAOYSA-N 1 0 387.310 5.607 50 0 GKAARO O=C1[C@@]2(C[C@@H]2c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@]12C[C@@H]2c1ccccc1 ZINC000036496929 205018113 /nfs/dbraw/zinc/01/81/13/205018113.db2.gz MXOGLMLNAHOAEG-KECVVUEUSA-N 1 0 393.530 5.419 50 0 GKAARO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cc(C)cc(C)c2)c1OC ZINC000037523346 205027288 /nfs/dbraw/zinc/02/72/88/205027288.db2.gz UHMSMQXPNZLADZ-XMMPIXPASA-N 1 0 390.527 5.117 50 0 GKAARO Cc1cc([C@H](c2ccccc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545861 205037615 /nfs/dbraw/zinc/03/76/15/205037615.db2.gz BHZVJVWPPHWANJ-FQEVSTJZSA-N 1 0 380.513 5.477 50 0 GKAARO Cc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)o1 ZINC000055227349 205144453 /nfs/dbraw/zinc/14/44/53/205144453.db2.gz RFFAIKRKDUOESG-QFIPXVFZSA-N 1 0 381.564 5.030 50 0 GKAARO O=C(NCc1ccco1)c1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000055901231 205150790 /nfs/dbraw/zinc/15/07/90/205150790.db2.gz REPWZTOCBJTEPU-QFIPXVFZSA-N 1 0 394.902 5.104 50 0 GKAARO CC1=C(C)[C@H]([NH2+]C2CCCCCCCCCCC2)N(Cc2ccccc2)C1=O ZINC000057284706 205155351 /nfs/dbraw/zinc/15/53/51/205155351.db2.gz WEHAAMMBWDNXJR-XMMPIXPASA-N 1 0 382.592 5.954 50 0 GKAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000058160470 205165901 /nfs/dbraw/zinc/16/59/01/205165901.db2.gz PVFZWFJADGZLKZ-MRXNPFEDSA-N 1 0 398.428 5.662 50 0 GKAARO c1ccc2c(c1)C=Cc1ccccc1C2[NH2+]C1c2ccccc2C=Cc2ccccc21 ZINC000059062599 205178706 /nfs/dbraw/zinc/17/87/06/205178706.db2.gz OFFKQRRCBWRRFP-UHFFFAOYSA-N 1 0 397.521 7.123 50 0 GKAARO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1Cc1ccccc1Cl ZINC000002138244 209117048 /nfs/dbraw/zinc/11/70/48/209117048.db2.gz CGAXGIVILAYNDK-NKKJXINNSA-N 1 0 399.962 5.607 50 0 biogenic GKAARO CC(C)CCOc1ccc([C@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000725748 205694804 /nfs/dbraw/zinc/69/48/04/205694804.db2.gz BVFZXSGNFKRJJA-DQEYMECFSA-N 1 0 381.560 5.415 50 0 GKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@@H](C)c2cccs2)c2ccc(F)cc2)cc1 ZINC000005477859 211567429 /nfs/dbraw/zinc/56/74/29/211567429.db2.gz KKPWRIIPPOACPR-MBSDFSHPSA-N 1 0 397.559 6.547 50 0 GKAARO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1Cl ZINC000004084122 206293744 /nfs/dbraw/zinc/29/37/44/206293744.db2.gz CGAXGIVILAYNDK-QDSKXPNFSA-N 1 0 399.962 5.607 50 0 biogenic GKAARO FC(F)(F)c1cccc(C2=CC[N@H+](CCc3ccc4ccccc4c3)CC2)c1 ZINC000000577115 206307936 /nfs/dbraw/zinc/30/79/36/206307936.db2.gz WJJYZXPHLSLMGE-UHFFFAOYSA-N 1 0 381.441 6.190 50 0 world GKAARO Cc1ccc([C@]2(CC[NH2+][C@@H](C)c3ccc(Cl)cc3)CCOC(C)(C)C2)cc1 ZINC000001902140 206395093 /nfs/dbraw/zinc/39/50/93/206395093.db2.gz AEDWQBNLDJFNFG-YADARESESA-N 1 0 385.979 6.216 50 0 GKAARO CCOc1ccc(C2=C(C[NH+](C)C)[C@@H](c3ccc(C)cc3)c3ccccc3O2)cc1 ZINC000002060249 206397406 /nfs/dbraw/zinc/39/74/06/206397406.db2.gz WDELZKCCPVJIQH-SANMLTNESA-N 1 0 399.534 5.891 50 0 GKAARO Clc1ccc(C[NH2+]CC[C@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000002997450 206451919 /nfs/dbraw/zinc/45/19/19/206451919.db2.gz GSHHIMAEHLLDTP-OAQYLSRUSA-N 1 0 393.914 5.575 50 0 GKAARO CCCC[N@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(C)cc1 ZINC000003665449 206492860 /nfs/dbraw/zinc/49/28/60/206492860.db2.gz CUGCUMVBOJVXPE-UHFFFAOYSA-N 1 0 389.634 5.378 50 0 GKAARO CCOc1ccc([C@@](O)(CC(C)C)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004584047 206531923 /nfs/dbraw/zinc/53/19/23/206531923.db2.gz LZPLVFVRKBPIGV-FTJBHMTQSA-N 1 0 395.587 5.589 50 0 GKAARO COc1cc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)ccc1OC(C)C ZINC000095420075 211239718 /nfs/dbraw/zinc/23/97/18/211239718.db2.gz DUVZRECTMHQMGI-SFHVURJKSA-N 1 0 375.896 5.139 50 0 GKAARO FC(F)(F)c1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c2ccccc2n1 ZINC000089866636 211186585 /nfs/dbraw/zinc/18/65/85/211186585.db2.gz DDVQXCBTHVZSPZ-SFHVURJKSA-N 1 0 389.421 5.486 50 0 GKAARO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000081974009 211160146 /nfs/dbraw/zinc/16/01/46/211160146.db2.gz KOZCINYDCJVLDW-GCGBSLFCSA-N 1 0 399.663 6.396 50 0 GKAARO FC1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000072429511 211117486 /nfs/dbraw/zinc/11/74/86/211117486.db2.gz XMBPOKYOGNTIOB-UHFFFAOYSA-N 1 0 389.474 5.279 50 0 GKAARO FC(F)(F)c1cccc(CC[C@@H]2CCC[N@H+](Cc3cncn3C3CC3)C2)c1 ZINC000072143552 211074744 /nfs/dbraw/zinc/07/47/44/211074744.db2.gz OOSWQAKVBMXMOV-KRWDZBQOSA-N 1 0 377.454 5.082 50 0 GKAARO CC(C)c1ncc(C[N@@H+]2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071614120 211052245 /nfs/dbraw/zinc/05/22/45/211052245.db2.gz MXYBYEURVNATAU-SFHVURJKSA-N 1 0 391.481 5.464 50 0 GKAARO Clc1ccc(-c2noc3c2C[N@H+](CCc2c[nH]c4ccccc24)CC3)cc1 ZINC000067678470 211014779 /nfs/dbraw/zinc/01/47/79/211014779.db2.gz LGVHEIOEZXCMEF-UHFFFAOYSA-N 1 0 377.875 5.077 50 0 GKAARO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000014958716 207034593 /nfs/dbraw/zinc/03/45/93/207034593.db2.gz VOZJVNCMLYMYDY-IBGZPJMESA-N 1 0 398.547 5.039 50 0 GKAARO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2sccc2C)C3)cc1 ZINC000014989657 207039370 /nfs/dbraw/zinc/03/93/70/207039370.db2.gz PVMAHKLLSRBCAA-UHFFFAOYSA-N 1 0 395.524 5.135 50 0 GKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)c(C)o2)cc1OC ZINC000015072688 207043983 /nfs/dbraw/zinc/04/39/83/207043983.db2.gz KBUOETHZDPGIJY-FQEVSTJZSA-N 1 0 392.499 5.047 50 0 GKAARO CN(Cc1ccccc1)C(=O)CCC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000015071024 207044173 /nfs/dbraw/zinc/04/41/73/207044173.db2.gz HTRRHUWSFAEASP-UHFFFAOYSA-N 1 0 390.527 5.084 50 0 GKAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1COCC(F)(F)F ZINC000015837134 207063147 /nfs/dbraw/zinc/06/31/47/207063147.db2.gz GQUZBIHBCQJZKQ-LJQANCHMSA-N 1 0 397.412 5.250 50 0 GKAARO CCc1c(C)sc2c1CC[N@H+](Cc1ccc(Cl)cc1)[C@H]2c1ccccc1 ZINC000015864892 207064962 /nfs/dbraw/zinc/06/49/62/207064962.db2.gz CDESZZGHFNFNOX-QFIPXVFZSA-N 1 0 381.972 6.420 50 0 GKAARO Cc1ccccc1[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000017312527 207087571 /nfs/dbraw/zinc/08/75/71/207087571.db2.gz VUONHJDMTZIISC-FQEVSTJZSA-N 1 0 382.511 5.153 50 0 GKAARO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(Cl)c1 ZINC000017314593 207088479 /nfs/dbraw/zinc/08/84/79/207088479.db2.gz HZLWOHWYHKADMM-OAHLLOKOSA-N 1 0 399.321 6.097 50 0 GKAARO CC(C)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020157536 207182213 /nfs/dbraw/zinc/18/22/13/207182213.db2.gz MEHRZPOPXHACDR-UHFFFAOYSA-N 1 0 384.523 5.621 50 0 GKAARO Cc1ccsc1-c1nc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(C)o1 ZINC000020294659 207187019 /nfs/dbraw/zinc/18/70/19/207187019.db2.gz SDQBFVWNDISINJ-INIZCTEOSA-N 1 0 393.512 5.541 50 0 GKAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc3c(c1)Cc1ccccc1-3)[NH2+]CC2 ZINC000020494880 207199212 /nfs/dbraw/zinc/19/92/12/207199212.db2.gz JWEDNZOJOJECSJ-AREMUKBSSA-N 1 0 385.507 5.290 50 0 GKAARO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](C2CCCCCC2)CC1 ZINC000020515944 207201281 /nfs/dbraw/zinc/20/12/81/207201281.db2.gz XYWSSUNECQHCCC-UHFFFAOYSA-N 1 0 393.531 5.247 50 0 GKAARO Fc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1F ZINC000020598350 207205220 /nfs/dbraw/zinc/20/52/20/207205220.db2.gz CZPDLHATWPOPCA-AWEZNQCLSA-N 1 0 389.396 5.013 50 0 GKAARO Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000020600664 207206727 /nfs/dbraw/zinc/20/67/27/207206727.db2.gz ICNQLBTWWKXESD-KRWDZBQOSA-N 1 0 397.444 5.249 50 0 GKAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1C ZINC000020777606 207215179 /nfs/dbraw/zinc/21/51/79/207215179.db2.gz HQSSKEJSKVZLNF-KRWDZBQOSA-N 1 0 397.469 5.052 50 0 GKAARO CCOc1ccc2c(c1)sc(=S)n2C[NH+]1CCC(c2ccccc2)CC1 ZINC000022027650 207245015 /nfs/dbraw/zinc/24/50/15/207245015.db2.gz KICCOZGRWSYIBK-UHFFFAOYSA-N 1 0 384.570 5.668 50 0 GKAARO CCCC[C@H](CC)C(=O)Nc1ccc2[nH]cc(CC[N@H+](C)C3CCCCC3)c2c1 ZINC000022347257 207251942 /nfs/dbraw/zinc/25/19/42/207251942.db2.gz WPYAKQNRBBPRQC-IBGZPJMESA-N 1 0 397.607 6.130 50 0 GKAARO CCCCC[N@H+](C)Cc1csc(-c2cccc(-c3ccccc3OC)c2)n1 ZINC000023317313 207273202 /nfs/dbraw/zinc/27/32/02/207273202.db2.gz DUTMJBPETARGFP-UHFFFAOYSA-N 1 0 380.557 6.108 50 0 GKAARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290610 207339374 /nfs/dbraw/zinc/33/93/74/207339374.db2.gz JEPVQFADZPULBH-XBEJUPMFSA-N 1 0 392.587 5.505 50 0 GKAARO CC(C)(C)c1ccc([C@@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000028293444 207339388 /nfs/dbraw/zinc/33/93/88/207339388.db2.gz QMDAYUNFDSGTEX-JOCHJYFZSA-N 1 0 398.978 5.595 50 0 GKAARO Cc1cc([C@H](c2ccc(C)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545887 207558349 /nfs/dbraw/zinc/55/83/49/207558349.db2.gz STRZOMZQIADQKN-NRFANRHFSA-N 1 0 394.540 5.786 50 0 GKAARO Cn1cc(C[N@@H+]2CC[C@H]2c2ccccc2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072462857 208030355 /nfs/dbraw/zinc/03/03/55/208030355.db2.gz AAGHKGHKLSISOT-VWLOTQADSA-N 1 0 395.506 5.826 50 0 GKAARO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000084013998 208087627 /nfs/dbraw/zinc/08/76/27/208087627.db2.gz NIBKUHGOBZDWMB-OAQYLSRUSA-N 1 0 383.898 5.200 50 0 GKAARO Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4C[NH+]3CCCC3)c2cc1C ZINC000095475080 208193728 /nfs/dbraw/zinc/19/37/28/208193728.db2.gz JUMHPEWOEABQIO-UHFFFAOYSA-N 1 0 388.467 5.122 50 0 GKAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc3cnccc32)cc1 ZINC000096165183 208280375 /nfs/dbraw/zinc/28/03/75/208280375.db2.gz RRVDPYFHCGKPKF-QHCPKHFHSA-N 1 0 388.515 5.056 50 0 GKAARO Cc1cccc([C@H]2C[C@H](C(=O)Nc3ccccc3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000096236627 208290258 /nfs/dbraw/zinc/29/02/58/208290258.db2.gz QGYWTGZWCAOYTI-ZEQRLZLVSA-N 1 0 384.523 5.239 50 0 GKAARO CC(C)(C)[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc2ccccc2o1 ZINC000097049263 208335990 /nfs/dbraw/zinc/33/59/90/208335990.db2.gz SAHVJCCBAFRCNY-NRFANRHFSA-N 1 0 380.488 5.007 50 0 GKAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)cc1 ZINC000020996271 210372574 /nfs/dbraw/zinc/37/25/74/210372574.db2.gz DARQBUSRZOOLPP-OAQYLSRUSA-N 1 0 382.511 5.313 50 0 GKAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000020917901 210368788 /nfs/dbraw/zinc/36/87/88/210368788.db2.gz YVZDBPRCBQRKGS-HNNXBMFYSA-N 1 0 379.485 5.232 50 0 GKAARO CCOc1cc2c(cc1OCC)[C@H](c1cccc(Oc3ccccc3)c1)[NH2+]CC2 ZINC000020506952 210342802 /nfs/dbraw/zinc/34/28/02/210342802.db2.gz PHSMLDZTNUALIF-VWLOTQADSA-N 1 0 389.495 5.511 50 0 biogenic GKAARO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000020529079 210342634 /nfs/dbraw/zinc/34/26/34/210342634.db2.gz YHYQZSVKBBWONV-YTWDQVMYSA-N 1 0 391.555 5.467 50 0 biogenic GKAARO CC[NH+](CC)CCN(C(=O)c1cc(C)ccc1C)c1nc2c(cccc2C)s1 ZINC000004359468 208542701 /nfs/dbraw/zinc/54/27/01/208542701.db2.gz GXVIEVNRLXESCF-UHFFFAOYSA-N 1 0 395.572 5.210 50 0 GKAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccc(O)c(Cl)c3)C2)c1 ZINC000020271729 210327805 /nfs/dbraw/zinc/32/78/05/210327805.db2.gz MMLJEVDZXPTNKX-GOSISDBHSA-N 1 0 381.907 5.124 50 0 GKAARO CCCCC[C@@](O)(c1ccc(CC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020441054 210334373 /nfs/dbraw/zinc/33/43/73/210334373.db2.gz VVRNWCBRDVBEKY-CLJLJLNGSA-N 1 0 395.587 5.133 50 0 GKAARO Cc1cc2oc(=O)cc(C[NH2+][C@H](c3cccs3)C(C)(C)CO)c2cc1C(C)C ZINC000242317046 209022506 /nfs/dbraw/zinc/02/25/06/209022506.db2.gz YWWKWRHJKGUNGI-JOCHJYFZSA-N 1 0 399.556 5.136 50 0 GKAARO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@@H]2C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000247645433 209026190 /nfs/dbraw/zinc/02/61/90/209026190.db2.gz JVKYZPBMZPJNAJ-GZVAMOQRSA-N 1 0 397.647 5.655 50 0 GKAARO COc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccccc1F ZINC000008470462 221042442 /nfs/dbraw/zinc/04/24/42/221042442.db2.gz KTMFJDXFGVGTCW-UHFFFAOYSA-N 1 0 377.887 5.489 50 0 GKAARO COc1ccccc1[C@H](C)[NH2+]Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000009338332 221078573 /nfs/dbraw/zinc/07/85/73/221078573.db2.gz RFMFGMNKLMILSW-AWEZNQCLSA-N 1 0 397.931 5.576 50 0 GKAARO CC(C)CCN1C(=O)c2ccccc2[C@H]1[NH2+]C1CCCCCCCCCCC1 ZINC000009678656 221088214 /nfs/dbraw/zinc/08/82/14/221088214.db2.gz ZIGKTYFCFBILDS-DEOSSOPVSA-N 1 0 384.608 6.450 50 0 GKAARO Cc1c(C[NH2+]Cc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315628 221100395 /nfs/dbraw/zinc/10/03/95/221100395.db2.gz KSWOMVGPZHOZHW-UHFFFAOYSA-N 1 0 392.905 6.080 50 0 GKAARO CSc1ccc(C[NH+]2CCC(c3n[nH]cc3-c3ccccc3C)CC2)cc1 ZINC000011785083 221125181 /nfs/dbraw/zinc/12/51/81/221125181.db2.gz SUWWHPMCLLAMFG-UHFFFAOYSA-N 1 0 377.557 5.487 50 0 GKAARO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000011817495 221127375 /nfs/dbraw/zinc/12/73/75/221127375.db2.gz COMNVYYZHKSBLL-JOCHJYFZSA-N 1 0 380.491 5.483 50 0 GKAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3OC)oc2C)c1 ZINC000011933820 221137769 /nfs/dbraw/zinc/13/77/69/221137769.db2.gz ZAEJNKLUJOLPRW-NRFANRHFSA-N 1 0 378.472 5.004 50 0 GKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000011938519 221140310 /nfs/dbraw/zinc/14/03/10/221140310.db2.gz WLCDGMBPWBWDOQ-OAQYLSRUSA-N 1 0 395.934 5.686 50 0 GKAARO Fc1ccc(-n2cc(C[NH2+]Cc3ccncc3)c(-c3ccccc3Cl)n2)cc1 ZINC000012303787 221176975 /nfs/dbraw/zinc/17/69/75/221176975.db2.gz POALTKCFGGXKSR-UHFFFAOYSA-N 1 0 392.865 5.017 50 0 GKAARO Cc1oc(-c2cccc(F)c2)nc1C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000012308499 221178989 /nfs/dbraw/zinc/17/89/89/221178989.db2.gz FZNMGFRHMFYOAJ-OAQYLSRUSA-N 1 0 379.479 5.171 50 0 GKAARO COc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)CC3CC3)c(C)o2)c(F)c1 ZINC000012439481 221196215 /nfs/dbraw/zinc/19/62/15/221196215.db2.gz GVKHEDPEYFYHGF-UHFFFAOYSA-N 1 0 380.463 5.210 50 0 GKAARO O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000012710812 221219607 /nfs/dbraw/zinc/21/96/07/221219607.db2.gz MDEYQNQARYTISJ-UHFFFAOYSA-N 1 0 394.902 5.451 50 0 GKAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@H]1CCc1cccc(O)c1 ZINC000012586806 221211523 /nfs/dbraw/zinc/21/15/23/221211523.db2.gz SJNYHXZYHUBYLG-IBGZPJMESA-N 1 0 382.529 5.404 50 0 GKAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012750578 221224719 /nfs/dbraw/zinc/22/47/19/221224719.db2.gz SKHIUGOCIGKCSJ-JKSUJKDBSA-N 1 0 389.524 5.228 50 0 GKAARO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000014959172 221320544 /nfs/dbraw/zinc/32/05/44/221320544.db2.gz OEPBULLRAAFDIX-OAQYLSRUSA-N 1 0 382.523 5.198 50 0 GKAARO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000014958712 221320796 /nfs/dbraw/zinc/32/07/96/221320796.db2.gz VOZJVNCMLYMYDY-LJQANCHMSA-N 1 0 398.547 5.039 50 0 GKAARO C[C@@H]1CCCC[N@@H+]1CCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000015781638 221344615 /nfs/dbraw/zinc/34/46/15/221344615.db2.gz WPPUYRNNTGLCFX-MRXNPFEDSA-N 1 0 380.923 5.237 50 0 GKAARO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@@H]2C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000257348296 209080067 /nfs/dbraw/zinc/08/00/67/209080067.db2.gz DCQBOIHKCBTVFH-SROCZHJCSA-N 1 0 397.647 5.943 50 0 GKAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cnn(-c3cccc4ccccc43)c2C)cc1 ZINC000039552656 221891455 /nfs/dbraw/zinc/89/14/55/221891455.db2.gz ISCOZNFRBJKIMT-QGZVFWFLSA-N 1 0 398.510 5.143 50 0 GKAARO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000048363741 221990104 /nfs/dbraw/zinc/99/01/04/221990104.db2.gz STWUAHKFDMGMLT-QFIPXVFZSA-N 1 0 384.951 5.005 50 0 GKAARO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccc(C)cc2)C3)cc1 ZINC000055283703 222021494 /nfs/dbraw/zinc/02/14/94/222021494.db2.gz UBQSMPGRVUYLTH-UHFFFAOYSA-N 1 0 389.495 5.074 50 0 GKAARO O=C(Nc1cccc(C[NH2+]C2CCCCC2)c1)c1ccc(Cl)cc1Cl ZINC000061002725 222060629 /nfs/dbraw/zinc/06/06/29/222060629.db2.gz CPNFEZQDRWYWJO-UHFFFAOYSA-N 1 0 377.315 5.668 50 0 GKAARO CC(C)c1ncc(C[N@@H+]2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071614118 222185125 /nfs/dbraw/zinc/18/51/25/222185125.db2.gz MXYBYEURVNATAU-GOSISDBHSA-N 1 0 391.481 5.464 50 0 GKAARO FC(F)(F)c1cccc(C[NH+]2CCC(c3nnc(-c4ccsc4)o3)CC2)c1 ZINC000096024374 222373521 /nfs/dbraw/zinc/37/35/21/222373521.db2.gz SPSNUHATMCZEPW-UHFFFAOYSA-N 1 0 393.434 5.197 50 0 GKAARO CC(=O)c1cccc(C[NH+]2CCC(CCC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000012612457 518421898 /nfs/dbraw/zinc/42/18/98/518421898.db2.gz BXHRMWZSDINCCO-UHFFFAOYSA-N 1 0 398.934 5.174 50 0 GKAARO CCO[C@H](C)c1noc(C[N@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)n1 ZINC000089984985 520488814 /nfs/dbraw/zinc/48/88/14/520488814.db2.gz YPPNRAANYOZJAS-NSISKUIASA-N 1 0 375.557 5.271 50 0 GKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCC2)c(Cl)c1 ZINC000022073960 534639467 /nfs/dbraw/zinc/63/94/67/534639467.db2.gz VGGYUYWUUBKDPN-UHFFFAOYSA-N 1 0 398.761 6.648 50 0 GKAARO C[N@@H+]1CCCC[C@H]1Cn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000003825191 560189850 /nfs/dbraw/zinc/18/98/50/560189850.db2.gz URKVBEKZCMUTQC-FQEVSTJZSA-N 1 0 382.507 5.510 50 0 in-vitro GKAARO NC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cc2cccc[n+]21 ZINC000000629059 570211660 /nfs/dbraw/zinc/21/16/60/570211660.db2.gz WSAAWHNLHMQBIF-UHFFFAOYSA-O 1 0 394.281 5.165 50 0 GKAARO C[NH+](C)CCOc1ccc(N[C@@H]2c3ccccc3CSc3ccccc32)cc1 ZINC000000702113 570218252 /nfs/dbraw/zinc/21/82/52/570218252.db2.gz DUBXCYUMCWFEIA-XMMPIXPASA-N 1 0 390.552 5.434 50 0 GKAARO C[C@@H](c1cc(Cl)ccc1Sc1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000019802195 570220683 /nfs/dbraw/zinc/22/06/83/570220683.db2.gz QWTRVSNKAYGDCK-AWEZNQCLSA-N 1 0 381.372 5.453 50 0 GKAARO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019813171 570221551 /nfs/dbraw/zinc/22/15/51/570221551.db2.gz HEONQQNRIPGYCO-UHFFFAOYSA-N 1 0 390.914 5.459 50 0 GKAARO O[C@@H](C[NH2+]C1CCCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000758192 570222292 /nfs/dbraw/zinc/22/22/92/570222292.db2.gz JAEHRJLXQLQEPU-KRWDZBQOSA-N 1 0 391.342 5.385 50 0 GKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)noc1-c1ccc(C(C)(C)C)cc1 ZINC000022625842 570222485 /nfs/dbraw/zinc/22/24/85/570222485.db2.gz GEYCTDNQODIVIY-KRWDZBQOSA-N 1 0 399.579 5.188 50 0 GKAARO O=C1c2ccccc2NC2(CC[NH+](CC3CCCCC3)CC2)N1c1ccccc1 ZINC000048262540 570224557 /nfs/dbraw/zinc/22/45/57/570224557.db2.gz UTOBTNURJXXTJA-UHFFFAOYSA-N 1 0 389.543 5.131 50 0 GKAARO C[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000012810587 570225243 /nfs/dbraw/zinc/22/52/43/570225243.db2.gz HIHAZBDOOVQUIU-QWRGUYRKSA-N 1 0 388.792 5.176 50 0 GKAARO Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)C[NH+]1CCCCC1 ZINC000000856729 570227319 /nfs/dbraw/zinc/22/73/19/570227319.db2.gz FTMIWMQSQFPLLB-AREMUKBSSA-N 1 0 390.571 5.302 50 0 GKAARO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](c3cccc(C)c3)C2)c(C)o1 ZINC000019884838 570227649 /nfs/dbraw/zinc/22/76/49/570227649.db2.gz QQUIKEOGZJYBSM-FQEVSTJZSA-N 1 0 376.500 5.347 50 0 GKAARO C[NH+](C)CCCCCCOc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000013467311 570247214 /nfs/dbraw/zinc/24/72/14/570247214.db2.gz PMGFTIDUJNLRSY-QJXQVQFTSA-N 1 0 397.603 5.613 50 0 GKAARO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000020455794 570259202 /nfs/dbraw/zinc/25/92/02/570259202.db2.gz PKNCTCQKNNPCRZ-UHFFFAOYSA-N 1 0 381.907 5.016 50 0 GKAARO Fc1ccc(-c2c[n+](-c3cccc(C(F)(F)F)c3)c3n2CCCCC3)cc1 ZINC000001468150 570263736 /nfs/dbraw/zinc/26/37/36/570263736.db2.gz QTIGXWLWGXGSJL-UHFFFAOYSA-N 1 0 375.389 5.316 50 0 GKAARO FC(F)(F)c1ccc(-c2nc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)cs2)cc1 ZINC000022637512 570275251 /nfs/dbraw/zinc/27/52/51/570275251.db2.gz IXNCISDMXHZUQE-GOEBONIOSA-N 1 0 380.479 5.841 50 0 GKAARO c1ccc(COc2ccccc2C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000002177936 570277206 /nfs/dbraw/zinc/27/72/06/570277206.db2.gz JJXFTIZNPAQTGB-UHFFFAOYSA-N 1 0 379.503 6.145 50 0 GKAARO Cc1ccc(C)c2c(=O)cc(C[N@H+](Cc3ccc(Cl)cc3)CC(C)C)[nH]c12 ZINC000015862294 570278800 /nfs/dbraw/zinc/27/88/00/570278800.db2.gz XRJOZXOKKMFPBV-UHFFFAOYSA-N 1 0 382.935 5.457 50 0 GKAARO CCCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682993 570300683 /nfs/dbraw/zinc/30/06/83/570300683.db2.gz AGXVDSHZQQHBLJ-UHFFFAOYSA-N 1 0 384.951 5.446 50 0 GKAARO Cc1cccc(C(=O)N(c2ccc(C)c(F)c2)C2CC[NH+](CC(C)C)CC2)c1 ZINC000034682749 570300709 /nfs/dbraw/zinc/30/07/09/570300709.db2.gz SYZGDJAQQBIPIH-UHFFFAOYSA-N 1 0 382.523 5.210 50 0 GKAARO Cc1ccc(N(C(=O)c2cccc(C)c2)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000034683005 570300743 /nfs/dbraw/zinc/30/07/43/570300743.db2.gz HBMAQFMKOAEVIU-UHFFFAOYSA-N 1 0 399.538 5.010 50 0 GKAARO Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000034683272 570300870 /nfs/dbraw/zinc/30/08/70/570300870.db2.gz NASWUTGUVBSDRF-UHFFFAOYSA-N 1 0 392.474 5.039 50 0 GKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3ccco3)c3ccccc3)CC2)cc1C ZINC000034683465 570300897 /nfs/dbraw/zinc/30/08/97/570300897.db2.gz KSONAVXGZXPIFP-UHFFFAOYSA-N 1 0 388.511 5.208 50 0 GKAARO Cc1ccc(N(C(=O)c2cccc(C)c2)C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000034683355 570300974 /nfs/dbraw/zinc/30/09/74/570300974.db2.gz JCFQKOBYXOMNJE-UHFFFAOYSA-N 1 0 399.538 5.010 50 0 GKAARO Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000034683321 570300985 /nfs/dbraw/zinc/30/09/85/570300985.db2.gz NFLZPWHABMDADB-UHFFFAOYSA-N 1 0 399.538 5.010 50 0 GKAARO CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000034683054 570301053 /nfs/dbraw/zinc/30/10/53/570301053.db2.gz IMYOUIZZQPLUMU-UHFFFAOYSA-N 1 0 396.550 5.545 50 0 GKAARO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](C1CCC(C)CC1)CC2 ZINC000022023274 570302200 /nfs/dbraw/zinc/30/22/00/570302200.db2.gz MHNDOIQKQODLFA-GLVQYQCOSA-N 1 0 399.962 5.883 50 0 GKAARO Clc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCC2)cc1 ZINC000022074247 570304815 /nfs/dbraw/zinc/30/48/15/570304815.db2.gz UPEBCOVSZPRDPY-UHFFFAOYSA-N 1 0 394.740 5.714 50 0 GKAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(F)cc1 ZINC000002836791 570306416 /nfs/dbraw/zinc/30/64/16/570306416.db2.gz FGWOJNIWUSWVON-UHFFFAOYSA-N 1 0 395.518 5.328 50 0 GKAARO CCOc1cc(C[NH2+]C2CCCCC2)c(Br)cc1OC1CCCC1 ZINC000002845923 570307567 /nfs/dbraw/zinc/30/75/67/570307567.db2.gz YRVFGTVHYORVKA-UHFFFAOYSA-N 1 0 396.369 5.592 50 0 GKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)o1 ZINC000002928681 570318461 /nfs/dbraw/zinc/31/84/61/570318461.db2.gz YRWJTBVNRYFAAG-GAJHUEQPSA-N 1 0 381.947 6.677 50 0 GKAARO CC[C@H](C)NC(=O)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739891 570327353 /nfs/dbraw/zinc/32/73/53/570327353.db2.gz VVJMFUZZRXYGJP-UCNVEGJOSA-N 1 0 384.951 5.208 50 0 GKAARO CC(C)CC[NH+](CCC(C)C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000003128830 570329741 /nfs/dbraw/zinc/32/97/41/570329741.db2.gz LFZVMDKWSHNFBN-NRFANRHFSA-N 1 0 380.576 5.550 50 0 GKAARO COc1ccc2cc(-c3n[nH]cc3C[NH2+][C@@H](C)Cc3cccs3)ccc2c1 ZINC000023130489 570345829 /nfs/dbraw/zinc/34/58/29/570345829.db2.gz OCFPHCZODLGNAC-HNNXBMFYSA-N 1 0 377.513 5.021 50 0 GKAARO CC[NH+](CC)CCCN1c2ccccc2Sc2cc(C(F)(F)F)ccc21 ZINC000003625356 570349236 /nfs/dbraw/zinc/34/92/36/570349236.db2.gz MOJSAYCISKXAAS-UHFFFAOYSA-N 1 0 380.479 6.040 50 0 GKAARO Clc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 ZINC000003873371 570352498 /nfs/dbraw/zinc/35/24/98/570352498.db2.gz AFNXATANNDIXLG-SFHVURJKSA-N 1 0 397.758 6.518 50 0 aggregator,fda GKAARO c1ccc(CCN2CCC([N@H+](CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000004022917 570354958 /nfs/dbraw/zinc/35/49/58/570354958.db2.gz YMKUIZVLGJSNOS-UHFFFAOYSA-N 1 0 398.594 5.438 50 0 GKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000004899036 570358641 /nfs/dbraw/zinc/35/86/41/570358641.db2.gz AOXXLSYBPYSIPW-OAQYLSRUSA-N 1 0 395.934 5.086 50 0 GKAARO CC(C)[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004176974 570361129 /nfs/dbraw/zinc/36/11/29/570361129.db2.gz KLOBRRLODJPCDR-YYGZZXRFSA-N 1 0 385.551 5.708 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccc(F)cc2)[C@H](C)C(C)C)c1 ZINC000004907896 570361303 /nfs/dbraw/zinc/36/13/03/570361303.db2.gz GTVALLXDVNUQPM-OAQYLSRUSA-N 1 0 378.535 6.031 50 0 GKAARO CCC[NH+](CCC)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004301056 570366383 /nfs/dbraw/zinc/36/63/83/570366383.db2.gz XCONKEKFERLXAP-KRWDZBQOSA-N 1 0 393.358 5.584 50 0 GKAARO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004375783 570372235 /nfs/dbraw/zinc/37/22/35/570372235.db2.gz NTQGEZJOMVFLMK-XUVDGOIQSA-N 1 0 375.487 5.468 50 0 GKAARO CC1(C)CC(=O)C[C@@]2(C1)[NH2+]C[C@@H](c1ccccc1Cl)c1c3ccccc3[nH]c12 ZINC000023908172 570374985 /nfs/dbraw/zinc/37/49/85/570374985.db2.gz YDXXMDROEYQMOS-UUOWRZLLSA-N 1 0 392.930 5.531 50 0 GKAARO Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000023955911 570375804 /nfs/dbraw/zinc/37/58/04/570375804.db2.gz KOWKPXGAGYAEJM-MRXNPFEDSA-N 1 0 393.487 5.470 50 0 GKAARO c1csc(-c2cc(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)no2)c1 ZINC000023995561 570376622 /nfs/dbraw/zinc/37/66/22/570376622.db2.gz NTMHIMYHBHOQPU-AWEZNQCLSA-N 1 0 381.526 5.392 50 0 GKAARO CCCCCc1ccc(OCCOCC[n+]2ccccc2)c(CCCCC)c1 ZINC000004530582 570382256 /nfs/dbraw/zinc/38/22/56/570382256.db2.gz HURDICPEFUBHME-UHFFFAOYSA-N 1 0 384.584 5.535 50 0 GKAARO CCCCCc1ccc(OCCCC[n+]2cccc(C)c2C)c(CCCCC)c1 ZINC000004566196 570384959 /nfs/dbraw/zinc/38/49/59/570384959.db2.gz ZYZQKFZNENOVPS-UHFFFAOYSA-N 1 0 396.639 6.916 50 0 GKAARO CC[NH+](CC)CCOCCOC(c1c(C)cccc1C)c1c(C)cccc1C ZINC000004655753 570389689 /nfs/dbraw/zinc/38/96/89/570389689.db2.gz RGIYXHUBASLWBQ-UHFFFAOYSA-N 1 0 383.576 5.385 50 0 GKAARO C[NH+](C)[C@H](CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cccs1 ZINC000032970917 570398031 /nfs/dbraw/zinc/39/80/31/570398031.db2.gz JASVISNSBPMERP-CTNGQTDRSA-N 1 0 396.581 5.001 50 0 GKAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000004725522 570398165 /nfs/dbraw/zinc/39/81/65/570398165.db2.gz WAVRVKNMAHYRHY-UHFFFAOYSA-N 1 0 392.587 5.290 50 0 GKAARO COc1ccc([C@@H](C)[N@H+](C)CCC(c2ccccc2)c2ccccc2)cc1OC ZINC000004728951 570398458 /nfs/dbraw/zinc/39/84/58/570398458.db2.gz DQDBEVIQIOCIFE-HXUWFJFHSA-N 1 0 389.539 5.919 50 0 GKAARO COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1 ZINC000004811057 570407589 /nfs/dbraw/zinc/40/75/89/570407589.db2.gz JBOZAMBUQYKIHA-UHFFFAOYSA-N 1 0 377.528 5.333 50 0 GKAARO C[N@H+](C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1 ZINC000004845026 570411619 /nfs/dbraw/zinc/41/16/19/570411619.db2.gz UESXOBVFCVOXTG-LKUXSMQASA-N 1 0 397.603 5.159 50 0 GKAARO Clc1ccc([C@@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025426284 570413658 /nfs/dbraw/zinc/41/36/58/570413658.db2.gz SJUNBXNHZLULCE-GCJKJVERSA-N 1 0 393.317 6.299 50 0 GKAARO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC000004981066 570421199 /nfs/dbraw/zinc/42/11/99/570421199.db2.gz QJFDLBHFUJRUFX-UHFFFAOYSA-N 1 0 386.539 5.205 50 0 GKAARO CCCCCCOc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000004980541 570421234 /nfs/dbraw/zinc/42/12/34/570421234.db2.gz SDJMCWHVOQKUJU-UHFFFAOYSA-N 1 0 380.576 5.585 50 0 GKAARO Clc1ccc(Oc2cccc(C[NH+]3CCC(Cc4ccccc4)CC3)c2)cc1 ZINC000004978116 570421316 /nfs/dbraw/zinc/42/13/16/570421316.db2.gz FGJDFFFBSXBBRA-UHFFFAOYSA-N 1 0 391.942 6.587 50 0 GKAARO Clc1ccc(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000004981092 570421319 /nfs/dbraw/zinc/42/13/19/570421319.db2.gz MDAYHRJFNRIIQM-UHFFFAOYSA-N 1 0 392.930 5.241 50 0 GKAARO COc1ccccc1[C@@]1(CC[NH2+]Cc2ccccc2F)CCO[C@H](C(C)C)C1 ZINC000005025032 570424652 /nfs/dbraw/zinc/42/46/52/570424652.db2.gz KCYOBLYWPXGPGW-ZEQRLZLVSA-N 1 0 385.523 5.087 50 0 GKAARO O=C(NCc1ccccc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000005073049 570428130 /nfs/dbraw/zinc/42/81/30/570428130.db2.gz QLTRKOGBHRURAQ-UHFFFAOYSA-N 1 0 398.550 5.071 50 0 GKAARO CC1(C)C[C@](CC[NH2+]Cc2cccnc2)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000027579187 570435767 /nfs/dbraw/zinc/43/57/67/570435767.db2.gz ZHUSRMQRLDPELK-OAQYLSRUSA-N 1 0 392.465 5.107 50 0 GKAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001827517 570436448 /nfs/dbraw/zinc/43/64/48/570436448.db2.gz KNARCFYMUDPYGK-VWLOTQADSA-N 1 0 393.958 6.439 50 0 biogenic GKAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc2ccccc21 ZINC000027581300 570436543 /nfs/dbraw/zinc/43/65/43/570436543.db2.gz JXGYEDCOEWDQII-QFIPXVFZSA-N 1 0 378.903 5.060 50 0 GKAARO CC[N@H+](CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000100743196 570437986 /nfs/dbraw/zinc/43/79/86/570437986.db2.gz YKCUWIVBCFMJNZ-UKILVPOCSA-N 1 0 395.587 5.896 50 0 biogenic GKAARO O=C(Cc1cccc2ccccc21)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662516 570438675 /nfs/dbraw/zinc/43/86/75/570438675.db2.gz LMWAHCDSSJNFIJ-QFIPXVFZSA-N 1 0 392.568 5.177 50 0 GKAARO Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027664681 570439707 /nfs/dbraw/zinc/43/97/07/570439707.db2.gz SGLOCGRDXJXUNL-JOCHJYFZSA-N 1 0 390.527 5.397 50 0 GKAARO Cc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCCCC2)cc1 ZINC000027744222 570441064 /nfs/dbraw/zinc/44/10/64/570441064.db2.gz URVWEYNPMLDFQF-UEMNXXGQSA-N 1 0 394.603 5.245 50 0 GKAARO Cc1ccc(-c2c[n+](-c3ccc(OC(F)F)cc3)c3n2CCCCC3)c(C)c1 ZINC000027788685 570442513 /nfs/dbraw/zinc/44/25/13/570442513.db2.gz IVBLTFHDIQOPSU-UHFFFAOYSA-N 1 0 383.462 5.376 50 0 GKAARO CCC(C)(C)c1ccc(OCCCC[n+]2ccc(C)cc2)c(C(C)(C)CC)c1 ZINC000001923863 570450050 /nfs/dbraw/zinc/45/00/50/570450050.db2.gz FAHRAJIMXOUGEV-UHFFFAOYSA-N 1 0 382.612 6.517 50 0 GKAARO Cc1ccc(C2=[N+]3CCCCCN3[C@@](O)(c3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000005682775 570451459 /nfs/dbraw/zinc/45/14/59/570451459.db2.gz GDCDHXXPYJHSFM-MHZLTWQESA-N 1 0 397.542 5.114 50 0 GKAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000028287055 570454211 /nfs/dbraw/zinc/45/42/11/570454211.db2.gz RBXZSFOPOOBJHF-IBGZPJMESA-N 1 0 396.556 5.377 50 0 GKAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000028287053 570454246 /nfs/dbraw/zinc/45/42/46/570454246.db2.gz RBXZSFOPOOBJHF-LJQANCHMSA-N 1 0 396.556 5.377 50 0 GKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028290328 570455496 /nfs/dbraw/zinc/45/54/96/570455496.db2.gz VEGDGZOBYLZYBF-NRFANRHFSA-N 1 0 392.543 5.380 50 0 GKAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1sc2ccccc2c1Cl ZINC000028291419 570455947 /nfs/dbraw/zinc/45/59/47/570455947.db2.gz LTSHZIQVZSOVCT-SFHVURJKSA-N 1 0 398.959 5.512 50 0 GKAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290608 570456095 /nfs/dbraw/zinc/45/60/95/570456095.db2.gz JEPVQFADZPULBH-FTCDTSOASA-N 1 0 392.587 5.505 50 0 GKAARO CCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)[NH+]1CCCCC1 ZINC000028291828 570456441 /nfs/dbraw/zinc/45/64/41/570456441.db2.gz SOSGZCHWTMXEPR-HSZRJFAPSA-N 1 0 394.559 5.166 50 0 GKAARO Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000028293713 570457624 /nfs/dbraw/zinc/45/76/24/570457624.db2.gz SIRRWOONUJGKKE-LJQANCHMSA-N 1 0 396.556 5.377 50 0 GKAARO C[N@H+](Cc1ccccc1NC(=O)c1ccccc1OC(F)F)C1CCCCC1 ZINC000028620423 570462152 /nfs/dbraw/zinc/46/21/52/570462152.db2.gz OSLJZEGXVGOCMR-UHFFFAOYSA-N 1 0 388.458 5.305 50 0 GKAARO Cc1ccccc1C[N@@H+](Cc1cccn1Cc1ccccc1)CC1CCCCC1 ZINC000035840980 570463297 /nfs/dbraw/zinc/46/32/97/570463297.db2.gz YZAAOQFREGATHB-UHFFFAOYSA-N 1 0 386.583 6.427 50 0 GKAARO Cc1ccc(C[N@@H+](Cc2cccn2Cc2ccccc2F)[C@H](C)C(C)C)cc1 ZINC000035841051 570463366 /nfs/dbraw/zinc/46/33/66/570463366.db2.gz CJQPDOVXRRIHAT-OAQYLSRUSA-N 1 0 378.535 6.031 50 0 GKAARO Cc1ccccc1C[N@H+](CCC(C)C)Cc1cccn1Cc1ccc(F)cc1 ZINC000035841003 570463455 /nfs/dbraw/zinc/46/34/55/570463455.db2.gz NZBOUNMCCHSDHQ-UHFFFAOYSA-N 1 0 378.535 6.032 50 0 GKAARO Cc1ccccc1Cn1cccc1C[N@H+](Cc1cccc(F)c1)C1CCCCC1 ZINC000035841096 570463799 /nfs/dbraw/zinc/46/37/99/570463799.db2.gz NWGITGPSPJVKDG-UHFFFAOYSA-N 1 0 390.546 6.319 50 0 GKAARO COCCC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C)c1 ZINC000035843740 570463817 /nfs/dbraw/zinc/46/38/17/570463817.db2.gz UNIXTTSIYZTKPO-UHFFFAOYSA-N 1 0 380.507 5.023 50 0 GKAARO C[N@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCc2ccccc21 ZINC000029482963 570474706 /nfs/dbraw/zinc/47/47/06/570474706.db2.gz ZQMYMCXYXYGOJC-KRWDZBQOSA-N 1 0 383.706 5.205 50 0 GKAARO [NH3+]CCCCc1c2cc(C34CC5CC(CC(C5)C3)C4)ccc2[nH]c1-c1cccnc1 ZINC000006392342 570478695 /nfs/dbraw/zinc/47/86/95/570478695.db2.gz KTBYYQWRZQVOHZ-UHFFFAOYSA-N 1 0 399.582 5.979 50 0 GKAARO C[NH+](C)Cc1cccc([C@H](O)[C@H]2c3ccccc3CSc3ccccc32)c1 ZINC000006637808 570485809 /nfs/dbraw/zinc/48/58/09/570485809.db2.gz SPLBTLHSWXXNDH-ZEQRLZLVSA-N 1 0 375.537 5.219 50 0 GKAARO CCCCCc1ccc(OCCCC[n+]2cc(C)ccc2C)c(CCCCC)c1 ZINC000006756699 570492023 /nfs/dbraw/zinc/49/20/23/570492023.db2.gz XLQTXFFPGPMBMN-UHFFFAOYSA-N 1 0 396.639 6.916 50 0 GKAARO COc1ccc2cc(C[NH2+]Cc3ccccc3OCc3cccnc3)ccc2c1 ZINC000030629280 570492248 /nfs/dbraw/zinc/49/22/48/570492248.db2.gz FUZNENUTJUWWJT-UHFFFAOYSA-N 1 0 384.479 5.112 50 0 GKAARO CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000006882523 570498263 /nfs/dbraw/zinc/49/82/63/570498263.db2.gz RIDORKMZYLJNEL-UHFFFAOYSA-N 1 0 382.729 5.570 50 0 GKAARO COc1ccc(C[C@@H]2[NH2+][C@H]3CCC[C@@H]3c3c4cc(C)ccc4[nH]c32)cc1OC ZINC000033904624 570498356 /nfs/dbraw/zinc/49/83/56/570498356.db2.gz JNYYQFDMPWHXSD-QRFRQXIXSA-N 1 0 376.500 5.017 50 0 GKAARO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1cccc(F)c1 ZINC000005190382 570498916 /nfs/dbraw/zinc/49/89/16/570498916.db2.gz UCEGOWGVZLOCAE-JRFVFWCSSA-N 1 0 383.507 5.093 50 0 GKAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1c(Cl)cccc1Cl ZINC000007523745 570507147 /nfs/dbraw/zinc/50/71/47/570507147.db2.gz ISCIZCRDZDDQMS-UHFFFAOYSA-N 1 0 392.282 5.464 50 0 GKAARO CCCc1ccc(OCCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c(OC)c1 ZINC000006624472 570508525 /nfs/dbraw/zinc/50/85/25/570508525.db2.gz QROSJJZDPVLDOR-JOCHJYFZSA-N 1 0 382.548 5.429 50 0 biogenic GKAARO CC(C)OCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000006650943 570519680 /nfs/dbraw/zinc/51/96/80/570519680.db2.gz NGNJYGLDWPTTTN-UHFFFAOYSA-N 1 0 383.923 5.097 50 0 GKAARO COc1ccc(OC)c(-c2n[nH]cc2C[N@@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087089 570519937 /nfs/dbraw/zinc/51/99/37/570519937.db2.gz JINHFIWIPRSXSW-IBGZPJMESA-N 1 0 397.544 5.273 50 0 GKAARO C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000006654430 570521085 /nfs/dbraw/zinc/52/10/85/570521085.db2.gz KHDYYLBIZKTUGB-HNNXBMFYSA-N 1 0 399.321 6.097 50 0 GKAARO Cc1c(C)n(-c2cc(F)cc(F)c2)c2ncnc(Nc3ccc(F)c(F)c3)c12 ZINC000032960492 570529114 /nfs/dbraw/zinc/52/91/14/570529114.db2.gz JYNWAAAETNVKQR-UHFFFAOYSA-N 1 0 386.352 5.337 50 0 GKAARO Cc1c(C)n(-c2cc(F)cc(F)c2)c2ncnc(Nc3ccc(C)c(F)c3)c12 ZINC000032960489 570529275 /nfs/dbraw/zinc/52/92/75/570529275.db2.gz IRMTUNPUXDZROY-UHFFFAOYSA-N 1 0 382.389 5.507 50 0 GKAARO COc1cc2c(cc1C[N@H+](C)CCc1ccccn1)oc(C)c2-c1ccccc1 ZINC000022077712 570537742 /nfs/dbraw/zinc/53/77/42/570537742.db2.gz MMBDZXYVSOKBKG-UHFFFAOYSA-N 1 0 386.495 5.486 50 0 GKAARO COc1cc2c(cc1C[N@H+](C)CCc1ccccc1)oc(C)c2-c1ccccc1 ZINC000022077752 570537751 /nfs/dbraw/zinc/53/77/51/570537751.db2.gz FWOCJOZGUIKRAJ-UHFFFAOYSA-N 1 0 385.507 6.091 50 0 GKAARO c1ccc(Oc2cccc(CN3CC[N@@H+]4CCC[C@H]4[C@H]3C3CCCCC3)c2)cc1 ZINC000022860942 570539014 /nfs/dbraw/zinc/53/90/14/570539014.db2.gz ICFIGWARIJACRJ-IZZNHLLZSA-N 1 0 390.571 5.708 50 0 GKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(F)cc2)(c2ccc(OC)cc2)CCO1 ZINC000004833763 570540546 /nfs/dbraw/zinc/54/05/46/570540546.db2.gz KHNRMMLORMRALV-ZEQRLZLVSA-N 1 0 385.523 5.231 50 0 GKAARO COc1ccc([C@](O)([C@H](C[NH+]2CCCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000006743818 570563682 /nfs/dbraw/zinc/56/36/82/570563682.db2.gz LBSIRYRCMMQUAB-FTJBHMTQSA-N 1 0 393.571 5.343 50 0 GKAARO CCC[C@@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744206 570564244 /nfs/dbraw/zinc/56/42/44/570564244.db2.gz VSKNFEHZNIYSTK-JWQCQUIFSA-N 1 0 381.560 5.343 50 0 GKAARO COc1ccc([C@@](O)(CC(C)C)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744274 570564296 /nfs/dbraw/zinc/56/42/96/570564296.db2.gz QXJVFCCWKJRIPI-RPBOFIJWSA-N 1 0 381.560 5.199 50 0 GKAARO CCOc1ccc2oc(=O)cc(C[N@H+](Cc3ccco3)[C@@H]3CCCC[C@@H]3C)c2c1 ZINC000006743160 570564461 /nfs/dbraw/zinc/56/44/61/570564461.db2.gz FIRZFCWFKHGZEO-HTAPYJJXSA-N 1 0 395.499 5.366 50 0 GKAARO CCOc1ccc2oc(=O)cc(C[N@H+](Cc3ccco3)[C@H]3CCCC[C@@H]3C)c2c1 ZINC000006743162 570564493 /nfs/dbraw/zinc/56/44/93/570564493.db2.gz FIRZFCWFKHGZEO-JTSKRJEESA-N 1 0 395.499 5.366 50 0 GKAARO Cc1ccc(-c2csc3[nH]c(C[N@@H+](C)C4CCCCC4)nc(=O)c23)cc1C ZINC000036203746 570568526 /nfs/dbraw/zinc/56/85/26/570568526.db2.gz WIGLVJFMASOOKD-UHFFFAOYSA-N 1 0 381.545 5.033 50 0 GKAARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)cc1C ZINC000037522483 570573011 /nfs/dbraw/zinc/57/30/11/570573011.db2.gz UFGKNYZIXSUDCI-HSZRJFAPSA-N 1 0 398.472 6.119 50 0 GKAARO O=C(CCC1CC[NH+](Cc2cccc3c4ccccc4oc32)CC1)N1CCCC1 ZINC000011838471 570586750 /nfs/dbraw/zinc/58/67/50/570586750.db2.gz UDJRNVHTNPFPDF-UHFFFAOYSA-N 1 0 390.527 5.201 50 0 GKAARO Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCCC3)C2)c1 ZINC000011880096 570591863 /nfs/dbraw/zinc/59/18/63/570591863.db2.gz GHWQLZZSSGYMQX-JOCHJYFZSA-N 1 0 390.571 5.277 50 0 GKAARO CC1CC[NH+](Cc2nn(-c3ccc(Cl)cc3)c(N)c2-c2ccccc2)CC1 ZINC000006787088 570592421 /nfs/dbraw/zinc/59/24/21/570592421.db2.gz RLTGNLNFRJCWCC-UHFFFAOYSA-N 1 0 380.923 5.007 50 0 GKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000005478700 570608585 /nfs/dbraw/zinc/60/85/85/570608585.db2.gz MYGXMCHWGKTZDN-FNZWTVRRSA-N 1 0 391.530 6.486 50 0 GKAARO CC[NH+](CC)CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808486 570610136 /nfs/dbraw/zinc/61/01/36/570610136.db2.gz DLJPSPKTHOQLLY-UHFFFAOYSA-N 1 0 394.993 5.136 50 0 GKAARO Cc1cc2oc(=O)cc(C[NH+]3CCC(Cc4ccccc4)CC3)c2cc1Cl ZINC000003571911 570611964 /nfs/dbraw/zinc/61/19/64/570611964.db2.gz IPDHFXALLXXLIQ-UHFFFAOYSA-N 1 0 381.903 5.210 50 0 GKAARO CCC[C@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000006811627 570616083 /nfs/dbraw/zinc/61/60/83/570616083.db2.gz PQSHIPPEHNPMAR-UIOOFZCWSA-N 1 0 395.587 5.733 50 0 GKAARO CCOc1ccc([C@](O)(CCC(C)C)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811665 570616147 /nfs/dbraw/zinc/61/61/47/570616147.db2.gz UJKXDJIVYXPRGO-CLJLJLNGSA-N 1 0 395.587 5.589 50 0 GKAARO COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)c1OC ZINC000036348132 570630996 /nfs/dbraw/zinc/63/09/96/570630996.db2.gz MOTYGWCHDHBPKZ-DEOSSOPVSA-N 1 0 390.527 5.117 50 0 GKAARO C=C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000136611892 570631669 /nfs/dbraw/zinc/63/16/69/570631669.db2.gz AQAGPBXWLXHMCE-IQGLISFBSA-N 1 0 379.544 5.749 50 0 GKAARO CCCC[C@H](CC)CN1CN(C[C@@H](CC)CCCC)CC(C)([NH2+]CC(C)C)C1 ZINC000044125808 570632029 /nfs/dbraw/zinc/63/20/29/570632029.db2.gz OJLULESONDKAAN-ZEQRLZLVSA-N 1 0 395.720 5.999 50 0 GKAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2cc3ccccc3s2)cc1F ZINC000012316201 570641140 /nfs/dbraw/zinc/64/11/40/570641140.db2.gz YIBMYGMFXBCZSN-UHFFFAOYSA-N 1 0 381.476 5.071 50 0 GKAARO CCc1ccc(NC(=O)C2CC[NH+](Cc3csc4c3CCCC4)CC2)cc1 ZINC000006857891 570650699 /nfs/dbraw/zinc/65/06/99/570650699.db2.gz MXWKXNSEABYJMS-UHFFFAOYSA-N 1 0 382.573 5.040 50 0 GKAARO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012386880 570651831 /nfs/dbraw/zinc/65/18/31/570651831.db2.gz VOIIKOBPSQLYOG-WEVVVXLNSA-N 1 0 386.495 5.311 50 0 GKAARO COc1cccc(OC[C@H]2CCC[N@H+](Cc3nc(-c4ccsc4)oc3C)C2)c1 ZINC000012387203 570651890 /nfs/dbraw/zinc/65/18/90/570651890.db2.gz ZXYOUCOCVSIOHK-KRWDZBQOSA-N 1 0 398.528 5.011 50 0 GKAARO CSc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)c1 ZINC000012431023 570659460 /nfs/dbraw/zinc/65/94/60/570659460.db2.gz AADDJWQPMVTQBM-OAQYLSRUSA-N 1 0 377.557 5.378 50 0 GKAARO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012437515 570662472 /nfs/dbraw/zinc/66/24/72/570662472.db2.gz VVEFBIZFDJSTDE-HSZRJFAPSA-N 1 0 399.542 5.145 50 0 GKAARO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](CC1CCCCC1)CC2 ZINC000049590039 570665208 /nfs/dbraw/zinc/66/52/08/570665208.db2.gz GUOBFSYQCIFNOW-XMMPIXPASA-N 1 0 399.962 5.885 50 0 GKAARO CC[NH+](CC)[C@H](CNc1ncnc2sc(C)c(C)c21)c1ccccc1Cl ZINC000006880954 570676126 /nfs/dbraw/zinc/67/61/26/570676126.db2.gz APCJRRVDPNWPRC-QGZVFWFLSA-N 1 0 388.968 5.457 50 0 GKAARO O=C(CC[NH+]1CCCCC1)O[C@@H]1CCCC[C@@H]1SCc1ccc(Cl)cc1 ZINC000005634262 570676826 /nfs/dbraw/zinc/67/68/26/570676826.db2.gz VAVXGZXHFVMMQV-UXHICEINSA-N 1 0 395.996 5.304 50 0 GKAARO CC(C)[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000012563239 570680442 /nfs/dbraw/zinc/68/04/42/570680442.db2.gz QTRIGFJYNKGEIO-FXSWLTOZSA-N 1 0 389.514 5.761 50 0 GKAARO CCC[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C[C@H]1CCCO1 ZINC000012570226 570680984 /nfs/dbraw/zinc/68/09/84/570680984.db2.gz WINAOSPMDROWPX-QGZVFWFLSA-N 1 0 382.426 5.060 50 0 GKAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1cccc(C(F)(F)F)c1 ZINC000008863033 570683720 /nfs/dbraw/zinc/68/37/20/570683720.db2.gz ZNKBFAOYUZWGNL-SFHVURJKSA-N 1 0 396.478 5.114 50 0 GKAARO Cc1ccc(C)c(N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)c1 ZINC000055292063 570690163 /nfs/dbraw/zinc/69/01/63/570690163.db2.gz XHGLBMCYPDKEHP-UHFFFAOYSA-N 1 0 386.539 5.205 50 0 GKAARO Clc1cccc(N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)c1 ZINC000055292141 570690303 /nfs/dbraw/zinc/69/03/03/570690303.db2.gz UFLQUAHJJJTFSK-UHFFFAOYSA-N 1 0 392.930 5.241 50 0 GKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]3CCC1 ZINC000055447671 570695642 /nfs/dbraw/zinc/69/56/42/570695642.db2.gz LPYCRSDEHJIWIV-JOCHJYFZSA-N 1 0 398.472 6.252 50 0 GKAARO CC(C)(C)c1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000055543409 570695954 /nfs/dbraw/zinc/69/59/54/570695954.db2.gz YPVJVJLDWRDRHV-UHFFFAOYSA-N 1 0 398.566 5.449 50 0 GKAARO Cc1ccccc1N1CC[NH+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000055543068 570696036 /nfs/dbraw/zinc/69/60/36/570696036.db2.gz PQJGUBXTDYGELW-UHFFFAOYSA-N 1 0 394.603 5.618 50 0 GKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(c4ccccc4OC)CC3)ccc21 ZINC000055544090 570696820 /nfs/dbraw/zinc/69/68/20/570696820.db2.gz RWXVUJFTVSMPDR-UHFFFAOYSA-N 1 0 399.538 5.145 50 0 GKAARO COCCC[N@H+](Cc1cccn1Cc1cccc(C)c1)Cc1ccc(F)c(F)c1 ZINC000004358192 570698142 /nfs/dbraw/zinc/69/81/42/570698142.db2.gz FDNLJFUOUZXWKE-UHFFFAOYSA-N 1 0 398.497 5.162 50 0 GKAARO O=C(CCC1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1)N1CCCC1 ZINC000012707624 570701151 /nfs/dbraw/zinc/70/11/51/570701151.db2.gz NNGYFPVTJJBUFB-UHFFFAOYSA-N 1 0 392.543 5.094 50 0 GKAARO C[C@@H](C[NH+](Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1 ZINC000057218388 570701326 /nfs/dbraw/zinc/70/13/26/570701326.db2.gz GEHHLTOPYDVSEU-IBGZPJMESA-N 1 0 393.914 5.588 50 0 GKAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)c(C)c1 ZINC000012709190 570701656 /nfs/dbraw/zinc/70/16/56/570701656.db2.gz GWQDCZANXKIOBJ-FLVSMNSFSA-N 1 0 392.543 5.148 50 0 GKAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(OC3CCCC3)c2)cnn1-c1cccc(F)c1 ZINC000012709345 570701674 /nfs/dbraw/zinc/70/16/74/570701674.db2.gz BQVOHRUWRJGUIN-QGZVFWFLSA-N 1 0 393.506 5.492 50 0 GKAARO C[C@H](C[NH+](Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccccc1Cl ZINC000057222625 570701853 /nfs/dbraw/zinc/70/18/53/570701853.db2.gz IKYUAVBPKPMSMZ-LJQANCHMSA-N 1 0 393.914 5.588 50 0 GKAARO Fc1ccc([C@@H]([NH2+]C2CCCCCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000006916629 570703171 /nfs/dbraw/zinc/70/31/71/570703171.db2.gz POKQDNQWFJFPTO-OAQYLSRUSA-N 1 0 379.479 5.668 50 0 GKAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000017314991 570703520 /nfs/dbraw/zinc/70/35/20/570703520.db2.gz PNGNJVMRXCZHLZ-CQSZACIVSA-N 1 0 388.342 5.706 50 0 GKAARO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1 ZINC000017312207 570703954 /nfs/dbraw/zinc/70/39/54/570703954.db2.gz LNMXISDFVKLOHW-HNNXBMFYSA-N 1 0 382.866 5.582 50 0 GKAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+]Cc1ccc(F)cc1 ZINC000017311073 570703998 /nfs/dbraw/zinc/70/39/98/570703998.db2.gz CSOXVGVKNMWQDK-UHFFFAOYSA-N 1 0 392.305 5.284 50 0 GKAARO CC(C)Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000006931732 570710271 /nfs/dbraw/zinc/71/02/71/570710271.db2.gz JXLBOODSQHJLOG-AWEZNQCLSA-N 1 0 379.331 5.481 50 0 GKAARO CC(C)Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000006931726 570710413 /nfs/dbraw/zinc/71/04/13/570710413.db2.gz JXLBOODSQHJLOG-CQSZACIVSA-N 1 0 379.331 5.481 50 0 GKAARO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1Cl ZINC000058165226 570713306 /nfs/dbraw/zinc/71/33/06/570713306.db2.gz NFNOCFNSONOQNX-OAHLLOKOSA-N 1 0 382.866 5.185 50 0 GKAARO Cc1ccc2c(C[NH2+]C3(c4cccc(Br)c4)CCC3)cc(=O)oc2c1 ZINC000058203169 570719313 /nfs/dbraw/zinc/71/93/13/570719313.db2.gz LOXVYGIUGOFGEV-UHFFFAOYSA-N 1 0 398.300 5.033 50 0 GKAARO C[NH+](C)C1(c2ccccc2)CCC2(CC1)OCCc1c3cc(F)ccc3[nH]c12 ZINC000003950145 570722308 /nfs/dbraw/zinc/72/23/08/570722308.db2.gz CSMVOZKEWSOFER-UHFFFAOYSA-N 1 0 378.491 5.106 50 0 investigational GKAARO COc1ccc(/C=C/c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)cc1 ZINC000005661358 570722446 /nfs/dbraw/zinc/72/24/46/570722446.db2.gz NXUXMIRKLDFJGW-OUKQBFOZSA-N 1 0 381.520 7.542 50 0 GKAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)cc1 ZINC000059037068 570737001 /nfs/dbraw/zinc/73/70/01/570737001.db2.gz HMIKOVTXXPXPBT-UHFFFAOYSA-N 1 0 398.453 5.470 50 0 GKAARO CCOc1cc(C[NH2+][C@H]2CCCc3ccccc32)cc(Br)c1OC ZINC000025259531 570744738 /nfs/dbraw/zinc/74/47/38/570744738.db2.gz DAIFRQHNXOPIES-SFHVURJKSA-N 1 0 390.321 5.024 50 0 GKAARO CN1N=C2/C(=C/c3ccccc3)C[N@@H+](Cc3ccccc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000013395999 570753789 /nfs/dbraw/zinc/75/37/89/570753789.db2.gz SPPOYKISQNMIHA-LWDDGCSTSA-N 1 0 393.534 5.245 50 0 GKAARO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468152 570755578 /nfs/dbraw/zinc/75/55/78/570755578.db2.gz NTQGEZJOMVFLMK-BEDYVLDCSA-N 1 0 375.487 5.468 50 0 GKAARO CCc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000036614394 570758540 /nfs/dbraw/zinc/75/85/40/570758540.db2.gz INNVAFCCUUWNAL-QTJGBDASSA-N 1 0 399.962 5.476 50 0 GKAARO c1coc(-c2c(-c3ccccc3)ncn2C[C@@H](c2cccnc2)[NH+]2CCCC2)c1 ZINC000065424903 570768065 /nfs/dbraw/zinc/76/80/65/570768065.db2.gz SVQPQWZWHNPOPK-NRFANRHFSA-N 1 0 384.483 5.042 50 0 GKAARO CC(=O)C[C@@H]1[NH+]=C(c2ccccc2)C(C)=C(c2ccccc2)N1c1ccccc1 ZINC000007101993 570790220 /nfs/dbraw/zinc/79/02/20/570790220.db2.gz PWMSQQBYKQYAPW-XMMPIXPASA-N 1 0 380.491 5.732 50 0 GKAARO CC(C)n1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000065322300 570800235 /nfs/dbraw/zinc/80/02/35/570800235.db2.gz CUHOWMHFPNXYOR-UHFFFAOYSA-N 1 0 390.531 5.101 50 0 GKAARO C[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000004668305 570814391 /nfs/dbraw/zinc/81/43/91/570814391.db2.gz FKTQWQHUUZIQEN-KXBFYZLASA-N 1 0 380.001 5.012 50 0 GKAARO CSc1cccc(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@H]3C)CC2)c1 ZINC000004668253 570814441 /nfs/dbraw/zinc/81/44/41/570814441.db2.gz OEZKJADBPBLXQV-UZLBHIALSA-N 1 0 391.650 5.080 50 0 GKAARO CSc1cccc(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000004668254 570814569 /nfs/dbraw/zinc/81/45/69/570814569.db2.gz OEZKJADBPBLXQV-JXFKEZNVSA-N 1 0 391.650 5.080 50 0 GKAARO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000065474675 570822921 /nfs/dbraw/zinc/82/29/21/570822921.db2.gz PUHPGEJFYGGKSM-LBPRGKRZSA-N 1 0 395.812 5.602 50 0 GKAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1ccccc1Cl ZINC000004678247 570823630 /nfs/dbraw/zinc/82/36/30/570823630.db2.gz CHAVPCKMAULDQL-UHFFFAOYSA-N 1 0 376.685 5.115 50 0 GKAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1cccc(Br)c1 ZINC000004678427 570824380 /nfs/dbraw/zinc/82/43/80/570824380.db2.gz QKXVDALPPFVKKY-UHFFFAOYSA-N 1 0 376.685 5.115 50 0 GKAARO COc1cccc(-c2c[nH+]c(NCc3ccc(OCc4ccccc4)cc3)n2C)c1 ZINC000004678497 570824859 /nfs/dbraw/zinc/82/48/59/570824859.db2.gz CXMYLEHBTIWJAU-UHFFFAOYSA-N 1 0 399.494 5.287 50 0 GKAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000004678758 570824899 /nfs/dbraw/zinc/82/48/99/570824899.db2.gz LNCPKUHETFJKPQ-UHFFFAOYSA-N 1 0 376.287 5.405 50 0 GKAARO COCCn1c(-c2ccccc2)c[nH+]c1NCc1ccc(Cl)c(Cl)c1 ZINC000004679255 570825417 /nfs/dbraw/zinc/82/54/17/570825417.db2.gz GDVMKFOVYOQMAB-UHFFFAOYSA-N 1 0 376.287 5.115 50 0 GKAARO FC(F)(F)c1cccnc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032828672 570842172 /nfs/dbraw/zinc/84/21/72/570842172.db2.gz XUKJZIAHTCHCMJ-UHFFFAOYSA-N 1 0 397.444 5.012 50 0 GKAARO O=C(Nc1ccccc1Cc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000032868806 570862154 /nfs/dbraw/zinc/86/21/54/570862154.db2.gz BSWKTEURLOSQEY-UHFFFAOYSA-N 1 0 384.523 5.516 50 0 GKAARO COc1cccc(-c2nc3cc(F)ccc3cc2C[NH2+]Cc2ccc(F)cc2)c1 ZINC000014979857 570869182 /nfs/dbraw/zinc/86/91/82/570869182.db2.gz GKUIHXUESHOQOE-UHFFFAOYSA-N 1 0 390.433 5.478 50 0 GKAARO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012568599 570872475 /nfs/dbraw/zinc/87/24/75/570872475.db2.gz GSALKRWPFKYOEM-ZIAGYGMSSA-N 1 0 396.541 5.348 50 0 GKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2Cl)N3)C1 ZINC000004555240 570882053 /nfs/dbraw/zinc/88/20/53/570882053.db2.gz ANKYQDWEQSGLFR-MRXNPFEDSA-N 1 0 396.343 5.250 50 0 GKAARO COc1ccc(C[N@H+](Cc2cnc(-c3ccccn3)s2)C(C)(C)C)c(OC)c1 ZINC000097032621 570887115 /nfs/dbraw/zinc/88/71/15/570887115.db2.gz JXWHDYDFZYBCJT-UHFFFAOYSA-N 1 0 397.544 5.023 50 0 GKAARO CCCC[C@H](CC)C(=O)Nc1ccc2[nH]cc(CC[N@H+](CCC)CC3CC3)c2c1 ZINC000022347021 570887204 /nfs/dbraw/zinc/88/72/04/570887204.db2.gz YJQYFGCMEDLZCP-FQEVSTJZSA-N 1 0 397.607 5.987 50 0 GKAARO CCCC[C@@H](CC)C(=O)Nc1ccc2[nH]cc(CC[N@H+](C)C3CCCCC3)c2c1 ZINC000022347251 570887233 /nfs/dbraw/zinc/88/72/33/570887233.db2.gz WPYAKQNRBBPRQC-LJQANCHMSA-N 1 0 397.607 6.130 50 0 GKAARO COc1cccc(Cn2cccc2C[N@H+](CCC(C)C)Cc2cccc(F)c2)c1 ZINC000004573651 570898571 /nfs/dbraw/zinc/89/85/71/570898571.db2.gz AYSGLIDEVWIZDC-UHFFFAOYSA-N 1 0 394.534 5.732 50 0 GKAARO CCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000004584023 570915856 /nfs/dbraw/zinc/91/58/56/570915856.db2.gz RHGGWJQVSQESND-UIOOFZCWSA-N 1 0 395.587 5.733 50 0 GKAARO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000016401821 570924187 /nfs/dbraw/zinc/92/41/87/570924187.db2.gz YWCPLZKTLYFAKB-UHFFFAOYSA-N 1 0 399.849 5.077 50 0 GKAARO O[C@H](C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000105714414 570931621 /nfs/dbraw/zinc/93/16/21/570931621.db2.gz UVSZGDFFYYPRTA-VQIMIIECSA-N 1 0 375.946 5.144 50 0 GKAARO CC(C)Cc1ccc([C@H](C)CNC(=[NH2+])[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000002075138 570932222 /nfs/dbraw/zinc/93/22/22/570932222.db2.gz YGJSQXJBKDORBO-RTWAWAEBSA-N 1 0 378.604 6.558 50 0 biogenic GKAARO C[C@@H]1CCC[N@H+](CCCCOc2ccc3ccccc3c2Br)C1 ZINC000002822121 570933251 /nfs/dbraw/zinc/93/32/51/570933251.db2.gz GUTDENZXJUCIJA-MRXNPFEDSA-N 1 0 376.338 5.493 50 0 GKAARO Clc1ccc([C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)c2ccccc2)cc1 ZINC000025778178 570957782 /nfs/dbraw/zinc/95/77/82/570957782.db2.gz JIZIBINCTSCJKL-QHCPKHFHSA-N 1 0 379.887 5.033 50 0 GKAARO O=C([C@@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1)N1CCCCCC1 ZINC000004745264 570959950 /nfs/dbraw/zinc/95/99/50/570959950.db2.gz RPXBDMVRKRLROV-JOCHJYFZSA-N 1 0 392.543 5.094 50 0 GKAARO CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc3ccccc3s1)[C@@]2(O)C(F)(F)F ZINC000025185782 570962501 /nfs/dbraw/zinc/96/25/01/570962501.db2.gz CEBFJVCUBNTZND-SOZUMNATSA-N 1 0 397.466 5.186 50 0 GKAARO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)nc(-c2ccc(Cl)cc2)n1 ZINC000252492567 570974372 /nfs/dbraw/zinc/97/43/72/570974372.db2.gz MPHYCIIMNNJIBX-BHDDXSALSA-N 1 0 399.966 5.011 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2cc(F)cc(F)c2)[C@H](C)C(C)C)c1 ZINC000004793105 570992927 /nfs/dbraw/zinc/99/29/27/570992927.db2.gz XMAWLRCSHSGOBT-HXUWFJFHSA-N 1 0 396.525 6.170 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2cc(F)cc(F)c2)[C@@H](C)C(C)C)c1 ZINC000004793102 570993162 /nfs/dbraw/zinc/99/31/62/570993162.db2.gz XMAWLRCSHSGOBT-FQEVSTJZSA-N 1 0 396.525 6.170 50 0 GKAARO CCCCn1c(-c2ccc(OCC)cc2)c[nH+]c1NCc1ccccc1OCC ZINC000004679426 570993804 /nfs/dbraw/zinc/99/38/04/570993804.db2.gz MWDASERZHFHLSR-UHFFFAOYSA-N 1 0 393.531 5.760 50 0 GKAARO Clc1ccc(Oc2cccc(CN3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000019537546 571000391 /nfs/dbraw/zinc/00/03/91/571000391.db2.gz GPASZUMSMXWPEE-UHFFFAOYSA-N 1 0 392.930 5.450 50 0 GKAARO CC(C)(C)[C@@H]1CCCC2=C1[NH+]=C1N=CNN1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000007699120 571017875 /nfs/dbraw/zinc/01/78/75/571017875.db2.gz NDHLSTZBSUTFHE-GGAORHGYSA-N 1 0 384.527 5.713 50 0 GKAARO CC[C@H](C)c1ccc([C@@H]([NH2+]Cc2cc(=O)n3cc(C)ccc3n2)C(C)C)cc1 ZINC000007719031 571019476 /nfs/dbraw/zinc/01/94/76/571019476.db2.gz KFLHCPYOCSFYSL-UUOWRZLLSA-N 1 0 377.532 5.003 50 0 GKAARO FC(F)(F)c1ccccc1C[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000065981459 571032666 /nfs/dbraw/zinc/03/26/66/571032666.db2.gz MUVUKFPQRJMSRS-UHFFFAOYSA-N 1 0 391.462 5.074 50 0 GKAARO CC(C)[C@@H]([NH2+][C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1)c1ccccc1 ZINC000012786580 571039227 /nfs/dbraw/zinc/03/92/27/571039227.db2.gz XHWOGEAKYCOZDM-IFXJQAMLSA-N 1 0 393.512 5.293 50 0 GKAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000015679754 571044604 /nfs/dbraw/zinc/04/46/04/571044604.db2.gz WNCWGLXVLMHAFM-UHFFFAOYSA-N 1 0 395.931 5.059 50 0 GKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccc(C)cc4)CC3)ccc21 ZINC000019369768 210245455 /nfs/dbraw/zinc/24/54/55/210245455.db2.gz DURVLIGDHLMYBV-UHFFFAOYSA-N 1 0 397.566 5.441 50 0 GKAARO CC(C)(C)c1cc(CN2CC[NH+](Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000019359553 210244911 /nfs/dbraw/zinc/24/49/11/210244911.db2.gz QIXFFUXBVCHGAC-UHFFFAOYSA-N 1 0 394.603 5.305 50 0 GKAARO Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000017312521 210210495 /nfs/dbraw/zinc/21/04/95/210210495.db2.gz CSBJKUAOISZTHJ-QGZVFWFLSA-N 1 0 378.903 5.752 50 0 GKAARO CCCC[n+]1c(/C=C/c2c(OC)cc(OC)cc2OC)ccc2ccccc21 ZINC000017061443 210201893 /nfs/dbraw/zinc/20/18/93/210201893.db2.gz FFDMVUJOLSSJPA-BUHFOSPRSA-N 1 0 378.492 5.124 50 0 GKAARO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCc1ccccc1 ZINC000016479314 210190346 /nfs/dbraw/zinc/19/03/46/210190346.db2.gz NROBVDPDQSXPKZ-UHFFFAOYSA-N 1 0 385.482 5.890 50 0 GKAARO Cc1ccc([C@H](CNC(=O)c2oc3ccc(C)cc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000015860503 210173807 /nfs/dbraw/zinc/17/38/07/210173807.db2.gz UUBCRTFZYUWTRH-FQEVSTJZSA-N 1 0 394.515 5.154 50 0 GKAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1COCC(F)(F)F ZINC000015837139 210172633 /nfs/dbraw/zinc/17/26/33/210172633.db2.gz GQUZBIHBCQJZKQ-IBGZPJMESA-N 1 0 397.412 5.250 50 0 GKAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+][C@H]3CCOC(C)(C)C3)cc2c1 ZINC000015066631 210148654 /nfs/dbraw/zinc/14/86/54/210148654.db2.gz IWZHEXOWZIHZPL-NRFANRHFSA-N 1 0 378.491 5.397 50 0 GKAARO Cc1oc(-c2cc(F)ccc2F)nc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000015070216 210147265 /nfs/dbraw/zinc/14/72/65/210147265.db2.gz FAZLTHJSRPAWCQ-UHFFFAOYSA-N 1 0 392.449 5.489 50 0 GKAARO CC(C)[NH+]1CCC(Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000012979814 210038643 /nfs/dbraw/zinc/03/86/43/210038643.db2.gz ZIIGTGDVTIDZOJ-UHFFFAOYSA-N 1 0 386.952 5.296 50 0 GKAARO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccc(Cl)c(Cl)c1 ZINC000012909003 210025762 /nfs/dbraw/zinc/02/57/62/210025762.db2.gz AKNUJTIPZINJRA-OLZOCXBDSA-N 1 0 391.298 5.268 50 0 GKAARO COc1ccc([C@]2(CC[NH2+]Cc3ccc(Cl)cc3)CCOC(C)(C)C2)cc1 ZINC000004201331 209472162 /nfs/dbraw/zinc/47/21/62/209472162.db2.gz IFDGJYKFEZJLEA-HSZRJFAPSA-N 1 0 387.951 5.355 50 0 GKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)cc2)(c2ccc(C)cc2)CCO1 ZINC000004027956 209460889 /nfs/dbraw/zinc/46/08/89/209460889.db2.gz SJVLUKPXGVQVFR-JWQCQUIFSA-N 1 0 381.560 5.400 50 0 biogenic GKAARO CC1CC[NH+]([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccn2)CC1 ZINC000002708337 209377909 /nfs/dbraw/zinc/37/79/09/209377909.db2.gz UXXHOPRBEMDSNW-QHCPKHFHSA-N 1 0 394.603 6.204 50 0 GKAARO CC(C)CC[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000001820734 209339553 /nfs/dbraw/zinc/33/95/53/209339553.db2.gz UFYSTLUSQSQEBD-MRXNPFEDSA-N 1 0 379.331 5.098 50 0 GKAARO Cc1ccc(C(=O)N2C[C@H](C[N@@H+](C)C3CCCCC3)[C@@H](c3ccccc3)C2)cc1 ZINC000034697642 212161941 /nfs/dbraw/zinc/16/19/41/212161941.db2.gz XWJLQGMZKSNDGA-UKILVPOCSA-N 1 0 390.571 5.115 50 0 GKAARO CC(C)C[NH+](Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12)CC(C)C ZINC000002408596 212145165 /nfs/dbraw/zinc/14/51/65/212145165.db2.gz XEHWSJRSCYMVBC-UHFFFAOYSA-N 1 0 379.500 5.280 50 0 GKAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccc(O)cc2)c2ccccc2)cc1 ZINC000001774423 212144212 /nfs/dbraw/zinc/14/42/12/212144212.db2.gz GZMRVEFNKBOYQH-VWLOTQADSA-N 1 0 375.512 5.491 50 0 biogenic GKAARO Fc1ccc(C(CCCN2CC[N@@H+]3CCCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000019782316 212111435 /nfs/dbraw/zinc/11/14/35/212111435.db2.gz BDBNCAYIESYZJS-HSZRJFAPSA-N 1 0 384.514 5.047 50 0 GKAARO COc1cc2c(cc1OC)-c1cc(-c3ccccc3)cc(-c3ccccc3)[n+]1CC2 ZINC000002138707 203824158 /nfs/dbraw/zinc/82/41/58/203824158.db2.gz XBHZTVAWJVANMP-UHFFFAOYSA-N 1 0 394.494 5.548 50 0 biogenic GKAARO Cc1c(Cl)cccc1NC(=S)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000004299749 204036669 /nfs/dbraw/zinc/03/66/69/204036669.db2.gz XZZYOPNZFMQEMM-QGZVFWFLSA-N 1 0 380.001 5.076 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@@H+](CCC(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000004373786 204041483 /nfs/dbraw/zinc/04/14/83/204041483.db2.gz KZXZHIHHNSNVNR-UHFFFAOYSA-N 1 0 396.525 6.171 50 0 GKAARO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000003644655 204016275 /nfs/dbraw/zinc/01/62/75/204016275.db2.gz SSZPKFQNZNKWCD-UHFFFAOYSA-N 1 0 381.903 5.608 50 0 GKAARO Clc1ccc(-c2nc3c4ccccc4ccn3c2C[NH+]2CCCCC2)cc1 ZINC000003642686 204017332 /nfs/dbraw/zinc/01/73/32/204017332.db2.gz SLUYGUCJGKZYER-UHFFFAOYSA-N 1 0 375.903 5.794 50 0 GKAARO CCc1ccccc1NC(=S)N(CCC[N@@H+]1CCC[C@H](C)C1)Cc1ccco1 ZINC000003665557 204017991 /nfs/dbraw/zinc/01/79/91/204017991.db2.gz UNJLIBLCOCJVRT-IBGZPJMESA-N 1 0 399.604 5.163 50 0 GKAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000003953584 204022431 /nfs/dbraw/zinc/02/24/31/204022431.db2.gz HVKLDIUWOJDBLA-UHFFFAOYSA-N 1 0 398.462 5.652 50 0 GKAARO CC(C)CC[C@@]1(CC[NH2+]Cc2ccc(OC(C)C)cc2)CCOC(C)(C)C1 ZINC000004065003 204024992 /nfs/dbraw/zinc/02/49/92/204024992.db2.gz XIPHEVSTVZMQGN-XMMPIXPASA-N 1 0 375.597 5.965 50 0 biogenic GKAARO C[NH+](C)CCS[C@@]1(c2ccccc2)c2ccccc2CSc2ccccc21 ZINC000004128180 204028727 /nfs/dbraw/zinc/02/87/27/204028727.db2.gz CGFSWQMESVHTJX-DEOSSOPVSA-N 1 0 391.605 5.879 50 0 GKAARO CCC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1C)CC1CCCCC1 ZINC000004733843 204071114 /nfs/dbraw/zinc/07/11/14/204071114.db2.gz IXVOBRMJQGQZGU-RUZDIDTESA-N 1 0 382.592 5.388 50 0 GKAARO Cc1ccc([C@@H](OCC[NH2+]C2C3CC4CC(C3)CC2C4)c2ccccc2)cc1 ZINC000004655717 204059258 /nfs/dbraw/zinc/05/92/58/204059258.db2.gz HAWKQNRVBVPIDQ-CFBGLZPTSA-N 1 0 375.556 5.515 50 0 GKAARO CCC[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(C)O ZINC000004652794 204059778 /nfs/dbraw/zinc/05/97/78/204059778.db2.gz LIBIPIXHWFBTLG-BSWAZLHLSA-N 1 0 392.370 6.182 50 0 GKAARO Cc1sc2cc3c(c(C(=O)c4ccccc4)[n+]2c1C)-c1cccc2cccc-3c12 ZINC000004671213 204062432 /nfs/dbraw/zinc/06/24/32/204062432.db2.gz OCVQFXVJGQPACM-UHFFFAOYSA-N 1 0 392.503 6.135 50 0 GKAARO COc1ccc(CNc2[nH+]cc(-c3ccc(-c4ccccc4)cc3)n2C)c(OC)c1 ZINC000004678450 204062716 /nfs/dbraw/zinc/06/27/16/204062716.db2.gz RVIGGPGPUSOIOV-UHFFFAOYSA-N 1 0 399.494 5.383 50 0 GKAARO COCCn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1cccc(Cl)c1 ZINC000004678967 204063278 /nfs/dbraw/zinc/06/32/78/204063278.db2.gz USRXBCMQEZFQOW-UHFFFAOYSA-N 1 0 376.287 5.115 50 0 GKAARO CC(C)CC[C@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000005205102 204119477 /nfs/dbraw/zinc/11/94/77/204119477.db2.gz PGUXKYVXWOCCMQ-HMXCVIKNSA-N 1 0 380.016 6.638 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2cccc(Cl)c2)[C@@H](C)C(C)C)c1 ZINC000004928452 204092881 /nfs/dbraw/zinc/09/28/81/204092881.db2.gz YTJWLVKQKAYQQO-NRFANRHFSA-N 1 0 394.990 6.545 50 0 GKAARO FC(F)(F)c1cccc(N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 ZINC000004981168 204099324 /nfs/dbraw/zinc/09/93/24/204099324.db2.gz KYNCNXSGBDVDKN-UHFFFAOYSA-N 1 0 388.477 5.554 50 0 GKAARO Cc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1C1(CC[NH+](C)CC1)O2 ZINC000005478250 204135245 /nfs/dbraw/zinc/13/52/45/204135245.db2.gz WRNFDPOIEKBYKA-XMMPIXPASA-N 1 0 397.522 5.114 50 0 GKAARO CCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000006811655 204210717 /nfs/dbraw/zinc/21/07/17/204210717.db2.gz TTWIFHZUPZDBJZ-DQEYMECFSA-N 1 0 381.560 5.343 50 0 GKAARO CC[NH+](CC)[C@@H](CNc1ncnc2sc(C)c(C)c21)c1ccccc1Cl ZINC000006880952 204219089 /nfs/dbraw/zinc/21/90/89/204219089.db2.gz APCJRRVDPNWPRC-KRWDZBQOSA-N 1 0 388.968 5.457 50 0 GKAARO CC1(C)C[C@@H]([C@@H](CC[NH2+]Cc2cccnc2)Cc2ccccc2Cl)CCO1 ZINC000006673714 204191867 /nfs/dbraw/zinc/19/18/67/204191867.db2.gz STVWFWWVHLSYSO-FPOVZHCZSA-N 1 0 386.967 5.279 50 0 GKAARO Clc1cccc(Cl)c1OCCCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006719395 204194125 /nfs/dbraw/zinc/19/41/25/204194125.db2.gz MDGWRMQXFLWYIR-LJQANCHMSA-N 1 0 379.331 5.775 50 0 GKAARO CCCCCOc1ccc([C@](C)(O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006727322 204195587 /nfs/dbraw/zinc/19/55/87/204195587.db2.gz ADRMJWHNHVJYJJ-UIOOFZCWSA-N 1 0 395.587 5.733 50 0 GKAARO CCCCCOc1ccc([C@@](C)(O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006727330 204196039 /nfs/dbraw/zinc/19/60/39/204196039.db2.gz ADRMJWHNHVJYJJ-CLJLJLNGSA-N 1 0 395.587 5.733 50 0 GKAARO COc1ccc([C@@](O)(CCC(C)C)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006743812 204197926 /nfs/dbraw/zinc/19/79/26/204197926.db2.gz RBTQRRLXXCEYGE-RPBOFIJWSA-N 1 0 381.560 5.199 50 0 GKAARO CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007072966 204232687 /nfs/dbraw/zinc/23/26/87/204232687.db2.gz IRZXCLGKGLMYTQ-LJQANCHMSA-N 1 0 380.532 5.204 50 0 GKAARO COc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008470232 204276332 /nfs/dbraw/zinc/27/63/32/204276332.db2.gz ZARFPLCJYTWDTI-UHFFFAOYSA-N 1 0 377.887 5.489 50 0 GKAARO Clc1ccc(Cn2cc(C[NH2+]C[C@H]3CCCO3)c3ccccc32)c(Cl)c1 ZINC000010315539 204333926 /nfs/dbraw/zinc/33/39/26/204333926.db2.gz OTKJXPDDHDHUSV-GOSISDBHSA-N 1 0 389.326 5.265 50 0 GKAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccsc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000011844516 204357539 /nfs/dbraw/zinc/35/75/39/204357539.db2.gz JNPWAIOYSXVXRU-LJQANCHMSA-N 1 0 390.552 5.057 50 0 GKAARO CC(C)[N@@H+]1CCOc2ccc([C@@H](O)C(c3ccccc3)c3ccccc3)cc2C1 ZINC000011872337 204358885 /nfs/dbraw/zinc/35/88/85/204358885.db2.gz DJBPBBBPATZDOC-AREMUKBSSA-N 1 0 387.523 5.155 50 0 GKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000011938520 204364001 /nfs/dbraw/zinc/36/40/01/204364001.db2.gz WLCDGMBPWBWDOQ-NRFANRHFSA-N 1 0 395.934 5.686 50 0 GKAARO Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)o1 ZINC000012150975 204377484 /nfs/dbraw/zinc/37/74/84/204377484.db2.gz FBWJNHHXRKMOQI-MRXNPFEDSA-N 1 0 389.421 5.377 50 0 GKAARO Cc1oc(-c2cccc(F)c2)nc1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000012308500 204393651 /nfs/dbraw/zinc/39/36/51/204393651.db2.gz FZNMGFRHMFYOAJ-NRFANRHFSA-N 1 0 379.479 5.171 50 0 GKAARO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 ZINC000012909008 204464285 /nfs/dbraw/zinc/46/42/85/204464285.db2.gz AKNUJTIPZINJRA-STQMWFEESA-N 1 0 391.298 5.268 50 0 GKAARO CCC(=O)c1ccc(C(C)C)cc1N[N+](=O)c1cc(C(C)C)ccc1C(=O)CC ZINC000334157458 209173736 /nfs/dbraw/zinc/17/37/36/209173736.db2.gz GERFGVRCZJHAOW-UHFFFAOYSA-O 1 0 395.523 6.556 50 0 GKAARO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CCC1=CCCCC1 ZINC000015068838 204559035 /nfs/dbraw/zinc/55/90/35/204559035.db2.gz PLADMFDMLXCKBO-FQEVSTJZSA-N 1 0 394.481 5.067 50 0 GKAARO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000036347536 205012628 /nfs/dbraw/zinc/01/26/28/205012628.db2.gz RESCSQZEAVTRSH-DEOSSOPVSA-N 1 0 378.947 6.260 50 0 GKAARO CCc1ccccc1[C@@H]1c2cccn2CCC[N@H+]1Cc1cc(OC)cc(OC)c1 ZINC000036348572 205013236 /nfs/dbraw/zinc/01/32/36/205013236.db2.gz JRWJJQSSGBJAJE-RUZDIDTESA-N 1 0 390.527 5.063 50 0 GKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)CC(C)C)c3ccc(F)cc3)CC2)cc1 ZINC000037559562 205028248 /nfs/dbraw/zinc/02/82/48/205028248.db2.gz QENYBLGBRZGFLW-UHFFFAOYSA-N 1 0 382.523 5.178 50 0 GKAARO O=C1[C@]2(C[C@@H]2c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@]12C[C@H]2c1ccccc1 ZINC000038199320 205035240 /nfs/dbraw/zinc/03/52/40/205035240.db2.gz MXOGLMLNAHOAEG-QEFMBMMRSA-N 1 0 393.530 5.419 50 0 GKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000038546843 205037859 /nfs/dbraw/zinc/03/78/59/205037859.db2.gz ZYPDLFJDCVQOTF-FQEVSTJZSA-N 1 0 396.581 5.864 50 0 GKAARO Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000039563845 205044511 /nfs/dbraw/zinc/04/45/11/205044511.db2.gz XTWOTVXBVVDTPD-UHFFFAOYSA-N 1 0 378.516 5.087 50 0 GKAARO C[N@H+](Cc1ccccc1NC(=O)Cc1c[nH]c2ccccc12)C1CCCCC1 ZINC000040039647 205047457 /nfs/dbraw/zinc/04/74/57/205047457.db2.gz WIBSJOBLDPQKJZ-UHFFFAOYSA-N 1 0 375.516 5.114 50 0 GKAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2sccc2C)C3)c1 ZINC000055343354 205147037 /nfs/dbraw/zinc/14/70/37/205147037.db2.gz XOPXRQZPOHSWDQ-UHFFFAOYSA-N 1 0 395.524 5.135 50 0 GKAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c1 ZINC000057614668 205159666 /nfs/dbraw/zinc/15/96/66/205159666.db2.gz WVFDHYTUJSBJPT-FQEVSTJZSA-N 1 0 383.875 5.101 50 0 GKAARO c1c(C[NH2+][C@H]2CCCc3ccccc32)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000058157775 205165264 /nfs/dbraw/zinc/16/52/64/205165264.db2.gz FWYJETBKUSGMAC-VWLOTQADSA-N 1 0 394.522 5.161 50 0 GKAARO Cc1ccc2c(C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)cc(=O)oc2c1C ZINC000058160253 205165445 /nfs/dbraw/zinc/16/54/45/205165445.db2.gz ZHNKVXFZYHJDKS-UHFFFAOYSA-N 1 0 375.390 5.061 50 0 GKAARO CC(C)(C)C1(c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)OCC(C)(C)CO1 ZINC000003199940 205357834 /nfs/dbraw/zinc/35/78/34/205357834.db2.gz DYHZUZDRHDVUTF-UHFFFAOYSA-N 1 0 393.571 5.517 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](Cc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000001744114 205712677 /nfs/dbraw/zinc/71/26/77/205712677.db2.gz OLHWCCAKGTYZQF-HSZRJFAPSA-N 1 0 375.512 5.210 50 0 biogenic GKAARO CCOc1ccc(C[NH2+]CC[C@H](CCC(C)C)c2ccc(OC)cc2)cc1OC ZINC000005500066 205768432 /nfs/dbraw/zinc/76/84/32/205768432.db2.gz WQTJXHGKJLCVKM-QFIPXVFZSA-N 1 0 399.575 5.802 50 0 GKAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000006602587 205778199 /nfs/dbraw/zinc/77/81/99/205778199.db2.gz PRSZFWAQZKCJHJ-UHFFFAOYSA-N 1 0 390.571 5.124 50 0 GKAARO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@@H]2C[C@@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000252515695 206141653 /nfs/dbraw/zinc/14/16/53/206141653.db2.gz MVUKDQDMGIMFPT-HEMUMSKPSA-N 1 0 379.632 6.460 50 0 GKAARO Cc1cc(-c2cc(O)c3c(c2)C[N@H+](C2CCCC2)CCO3)nc2cc(F)ccc12 ZINC000299776482 206188825 /nfs/dbraw/zinc/18/88/25/206188825.db2.gz CAGYVVUGUPMQME-UHFFFAOYSA-N 1 0 392.474 5.192 50 0 GKAARO COc1ccc(-c2nc(CN(C)Cc3cccc4ncccc34)c(C)o2)cc1C ZINC000011817870 206225581 /nfs/dbraw/zinc/22/55/81/206225581.db2.gz ZVXRJWQQVSWCSL-UHFFFAOYSA-N 1 0 387.483 5.147 50 0 GKAARO CCCCC[NH+](CCCCC)C[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000004760421 206227159 /nfs/dbraw/zinc/22/71/59/206227159.db2.gz HEXZNDLJTGDXON-AREMUKBSSA-N 1 0 381.604 6.434 50 0 GKAARO COc1ccc([C@@H](CC[NH2+]Cc2ccc(OC(C)C)cc2)CCC(C)C)cc1 ZINC000005499890 211568767 /nfs/dbraw/zinc/56/87/67/211568767.db2.gz LICMJKRGLZLCSE-HSZRJFAPSA-N 1 0 383.576 6.182 50 0 GKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000002453143 211513824 /nfs/dbraw/zinc/51/38/24/211513824.db2.gz PIESUQVPWCTSHG-RUZDIDTESA-N 1 0 395.493 6.064 50 0 GKAARO Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCC(C)CC2)c1 ZINC000001447701 206381616 /nfs/dbraw/zinc/38/16/16/206381616.db2.gz VKPIIFWLSDCVGG-UHFFFAOYSA-N 1 0 382.511 5.632 50 0 GKAARO c1c(-c2ccccc2)c2c(ncnc2NCCC2=CCCCC2)n1-c1ccccc1 ZINC000001447541 206381948 /nfs/dbraw/zinc/38/19/48/206381948.db2.gz ONZVFAWGCQFRID-UHFFFAOYSA-N 1 0 394.522 6.390 50 0 GKAARO Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCC(C)CC2)cc1 ZINC000001447575 206381967 /nfs/dbraw/zinc/38/19/67/206381967.db2.gz VTCNFQYJFRSGGJ-UHFFFAOYSA-N 1 0 382.511 5.632 50 0 GKAARO CC(C)(C)Oc1ccc(C[NH2+]CC[C@@H](c2ccco2)c2ccc(F)cc2)cc1 ZINC000001776434 211511899 /nfs/dbraw/zinc/51/18/99/211511899.db2.gz QNIMYIODTYZHQY-JOCHJYFZSA-N 1 0 381.491 5.908 50 0 GKAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccc(C)cc1)c1ccc2c(c1)OCO2 ZINC000006732350 206667997 /nfs/dbraw/zinc/66/79/97/206667997.db2.gz MTSPOMKWJNERCH-OAQYLSRUSA-N 1 0 389.495 5.044 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2)Cc2cccc(C)c2)c1 ZINC000096299893 211331772 /nfs/dbraw/zinc/33/17/72/211331772.db2.gz KFZNZSFNUSGDAF-UHFFFAOYSA-N 1 0 394.562 6.356 50 0 GKAARO Clc1ccccc1-c1ccc2nc(-c3ccccc3)c(C[NH+]3CCCC3)n2c1 ZINC000096292251 211331719 /nfs/dbraw/zinc/33/17/19/211331719.db2.gz PHYRSBCCTVZSTN-UHFFFAOYSA-N 1 0 387.914 5.918 50 0 GKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH+]3CCCC3)cc(=O)oc2c1C ZINC000095477903 211248748 /nfs/dbraw/zinc/24/87/48/211248748.db2.gz JGGHFDFUTLVOHE-UHFFFAOYSA-N 1 0 388.467 5.122 50 0 GKAARO CC(C)[NH+](CCSc1nc(-c2cccs2)cc(C(F)(F)F)n1)C(C)C ZINC000095471990 211247393 /nfs/dbraw/zinc/24/73/93/211247393.db2.gz XGPSDUNREVHIFI-UHFFFAOYSA-N 1 0 389.512 5.435 50 0 GKAARO FC(F)(F)c1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c2ccccc2n1 ZINC000089866637 211184884 /nfs/dbraw/zinc/18/48/84/211184884.db2.gz DDVQXCBTHVZSPZ-GOSISDBHSA-N 1 0 389.421 5.486 50 0 GKAARO Cc1ccccc1[C@@H](n1cc[n+]([C@H](c2ccccc2C)C(C)(C)C)c1)C(C)(C)C ZINC000086012704 211178633 /nfs/dbraw/zinc/17/86/33/211178633.db2.gz SDCRMMWSBVVDPG-JWQCQUIFSA-N 1 0 389.607 6.663 50 0 GKAARO Cc1cccc(-n2cc(C[NH+]3CCC(F)(F)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000072411736 211113427 /nfs/dbraw/zinc/11/34/27/211113427.db2.gz WYPGKECQVHTIBW-UHFFFAOYSA-N 1 0 385.433 5.218 50 0 GKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2C[NH2+]C2CCCC2)cc1 ZINC000012245076 206874447 /nfs/dbraw/zinc/87/44/47/206874447.db2.gz VLLZEZIVMHAIRF-UHFFFAOYSA-N 1 0 378.541 5.665 50 0 GKAARO CC[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(c1nc(-c3ccccc3)cs1)[NH2+]2 ZINC000251611517 209110911 /nfs/dbraw/zinc/11/09/11/209110911.db2.gz LAORYDCCCIFVJH-UVBSCNOISA-N 1 0 395.450 5.063 50 0 GKAARO CC(C)OCCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000013721823 206995273 /nfs/dbraw/zinc/99/52/73/206995273.db2.gz LDWWRWGCDKWEDI-UHFFFAOYSA-N 1 0 381.491 5.463 50 0 GKAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2sc3ccccc3c2Cl)C1)N1CCCC1 ZINC000015079376 207045612 /nfs/dbraw/zinc/04/56/12/207045612.db2.gz ONQJRSPXJULCRX-INIZCTEOSA-N 1 0 390.980 5.169 50 0 GKAARO COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)c(C)c1C ZINC000015066371 207043136 /nfs/dbraw/zinc/04/31/36/207043136.db2.gz QGFJKMOQTLKISF-IBGZPJMESA-N 1 0 398.522 5.082 50 0 GKAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000015679753 207055597 /nfs/dbraw/zinc/05/55/97/207055597.db2.gz APXXVCDOOYBKKH-UHFFFAOYSA-N 1 0 391.968 5.228 50 0 GKAARO CCc1c(C)sc2c1CC[N@H+](Cc1ccccc1Cl)[C@H]2c1ccccc1 ZINC000015864896 207064795 /nfs/dbraw/zinc/06/47/95/207064795.db2.gz GMZJLZQPJKSMOU-QFIPXVFZSA-N 1 0 381.972 6.420 50 0 GKAARO CCc1c(C)sc2c1CC[N@H+](Cc1ccccc1Cl)[C@@H]2c1ccccc1 ZINC000015864895 207065056 /nfs/dbraw/zinc/06/50/56/207065056.db2.gz GMZJLZQPJKSMOU-JOCHJYFZSA-N 1 0 381.972 6.420 50 0 GKAARO Cc1ccc([C@@H](CNC(=O)c2oc3ccc(C)cc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000015860504 207065309 /nfs/dbraw/zinc/06/53/09/207065309.db2.gz UUBCRTFZYUWTRH-HXUWFJFHSA-N 1 0 394.515 5.154 50 0 GKAARO Cc1ccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000037560026 210743580 /nfs/dbraw/zinc/74/35/80/210743580.db2.gz GSXZQXARQPRRBW-UHFFFAOYSA-N 1 0 378.560 5.347 50 0 GKAARO COc1ccc([C@@H]([NH2+]CC(=O)N(Cc2ccco2)C2=CCCCC2)C(C)C)cc1 ZINC000016695446 207076908 /nfs/dbraw/zinc/07/69/08/207076908.db2.gz NSZWLXRBAUGTEN-DEOSSOPVSA-N 1 0 396.531 5.062 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2cccc(C)c2)C2CCCCC2)c1 ZINC000035844705 210698814 /nfs/dbraw/zinc/69/88/14/210698814.db2.gz YCKPNRWSOCDOSU-UHFFFAOYSA-N 1 0 386.583 6.488 50 0 GKAARO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(Sc2ccc(F)cc2)CC1 ZINC000019939304 207171730 /nfs/dbraw/zinc/17/17/30/207171730.db2.gz UXJFTKKVKSRMRC-UHFFFAOYSA-N 1 0 388.533 5.607 50 0 GKAARO CCCCCC[C@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020447591 207193070 /nfs/dbraw/zinc/19/30/70/207193070.db2.gz USSCYZYKABYKAR-RPBOFIJWSA-N 1 0 399.550 5.100 50 0 GKAARO COc1ccc(F)c(-c2nc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)c(C)o2)c1 ZINC000020534574 207200536 /nfs/dbraw/zinc/20/05/36/207200536.db2.gz MWYHHZQJYKGZMG-SFHVURJKSA-N 1 0 380.463 5.177 50 0 GKAARO c1cn(CC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 ZINC000022035274 207247291 /nfs/dbraw/zinc/24/72/91/207247291.db2.gz HNZOXLJWFKYXJX-UHFFFAOYSA-N 1 0 395.550 5.049 50 0 GKAARO COc1ccc(C[N@H+](Cc2nc3ccccc3o2)[C@H](C)Cc2cccs2)cc1 ZINC000024892691 207297458 /nfs/dbraw/zinc/29/74/58/207297458.db2.gz ISETZIVDTGKFDB-QGZVFWFLSA-N 1 0 392.524 5.531 50 0 GKAARO C[N@H+](Cc1ccccc1NC(=O)[C@H]1Cc2ccccc2S1)C1CCCCC1 ZINC000024832600 207296409 /nfs/dbraw/zinc/29/64/09/207296409.db2.gz RBGXGLSAXYKZSW-JOCHJYFZSA-N 1 0 380.557 5.107 50 0 GKAARO Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000028293262 207339915 /nfs/dbraw/zinc/33/99/15/207339915.db2.gz PXSITLVAWQGVJE-GOSISDBHSA-N 1 0 382.529 5.068 50 0 GKAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(Cl)s2)cc1 ZINC000031077513 207379216 /nfs/dbraw/zinc/37/92/16/207379216.db2.gz ZDAGLSBKVCTBJX-UHFFFAOYSA-N 1 0 384.932 5.060 50 0 GKAARO Cc1cc([C@H](c2ccccc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546225 207559258 /nfs/dbraw/zinc/55/92/58/207559258.db2.gz BVTYFVCXRUVZBR-NRFANRHFSA-N 1 0 394.540 5.723 50 0 GKAARO CC[NH+](CC)CCNc1cc(-c2cc(Cl)ccc2Cl)nc2ccccc21 ZINC000025560500 210483635 /nfs/dbraw/zinc/48/36/35/210483635.db2.gz GKDRTJCFERIWEA-UHFFFAOYSA-N 1 0 388.342 5.962 50 0 GKAARO CN1CCc2ccccc2[C@@]12C[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000101358580 208392143 /nfs/dbraw/zinc/39/21/43/208392143.db2.gz AQKKAFOHJNMXGQ-CUBQBAPOSA-N 1 0 391.514 6.095 50 0 GKAARO O=C(c1sc2ccccc2c1Cl)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000021170951 210380304 /nfs/dbraw/zinc/38/03/04/210380304.db2.gz KVYUPTLJNFHQSS-MRXNPFEDSA-N 1 0 390.980 5.425 50 0 GKAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)cc1 ZINC000020996273 210373298 /nfs/dbraw/zinc/37/32/98/210373298.db2.gz DARQBUSRZOOLPP-NRFANRHFSA-N 1 0 382.511 5.313 50 0 GKAARO Cc1ccc([C@H](CC[NH2+][C@@H](C)c2cccs2)c2ccc(OC(C)C)cc2)cc1 ZINC000002338290 208503420 /nfs/dbraw/zinc/50/34/20/208503420.db2.gz JFTIZPLEIBIVBU-RDPSFJRHSA-N 1 0 393.596 6.717 50 0 GKAARO CC1CC[NH+](Cc2ccc(NC(=O)c3cc4ccc5cccnc5c4[nH]3)cc2)CC1 ZINC000020575519 210347920 /nfs/dbraw/zinc/34/79/20/210347920.db2.gz ILMGWMKPCOEJRH-UHFFFAOYSA-N 1 0 398.510 5.200 50 0 GKAARO Cc1cccc(C(C)C)c1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020363685 210328903 /nfs/dbraw/zinc/32/89/03/210328903.db2.gz XWFPLMMJGVXPLE-UHFFFAOYSA-N 1 0 398.550 5.929 50 0 GKAARO FC(F)(F)c1ccccc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019832137 210300231 /nfs/dbraw/zinc/30/02/31/210300231.db2.gz XHPHWRJOOHMQKY-UHFFFAOYSA-N 1 0 384.445 5.176 50 0 GKAARO C[C@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1)[C@H](O)c1ccccc1 ZINC000019872084 210304129 /nfs/dbraw/zinc/30/41/29/210304129.db2.gz BJMUGVJXKMIWFB-SBUREZEXSA-N 1 0 381.903 5.131 50 0 GKAARO c1ccc([C@@H](CNc2ncnc3sc4c(c32)CCCCC4)[NH+]2CCCC2)cc1 ZINC000013097092 208781223 /nfs/dbraw/zinc/78/12/23/208781223.db2.gz SEIQFZBMBGETAZ-LJQANCHMSA-N 1 0 392.572 5.209 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(OC)cc2)[C@H]2CCOC(C)(C)C2)cc1 ZINC000004026959 220671736 /nfs/dbraw/zinc/67/17/36/220671736.db2.gz UVKDIUMGVALWFS-XUZZJYLKSA-N 1 0 397.559 5.173 50 0 biogenic GKAARO CCN1c2ccccc2C=C/C1=C\C=C\C=C\c1ccc2ccccc2[n+]1CC ZINC000004272022 220698181 /nfs/dbraw/zinc/69/81/81/220698181.db2.gz HUKKJPBJMKANKC-UHFFFAOYSA-N 1 0 379.527 6.154 50 0 GKAARO CC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000005500115 220877003 /nfs/dbraw/zinc/87/70/03/220877003.db2.gz XHGFEMPMNKWHTG-OAQYLSRUSA-N 1 0 395.934 5.004 50 0 GKAARO CCOc1ccc(C[NH2+]CC[C@@H](CCC(C)C)c2ccc(OC)cc2)cc1OC ZINC000005500065 220877463 /nfs/dbraw/zinc/87/74/63/220877463.db2.gz WQTJXHGKJLCVKM-JOCHJYFZSA-N 1 0 399.575 5.802 50 0 GKAARO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000005721688 220893679 /nfs/dbraw/zinc/89/36/79/220893679.db2.gz OIOOQJJMAOYJLT-QFIPXVFZSA-N 1 0 390.552 5.802 50 0 GKAARO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)nc(-c2ccc(Cl)cc2)n1 ZINC000252492569 209035363 /nfs/dbraw/zinc/03/53/63/209035363.db2.gz MPHYCIIMNNJIBX-YPAWHYETSA-N 1 0 399.966 5.011 50 0 GKAARO CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008327058 221037227 /nfs/dbraw/zinc/03/72/27/221037227.db2.gz JMCGQJQVMVHQHO-MRXNPFEDSA-N 1 0 388.722 5.086 50 0 GKAARO COc1ccc([C@H]2CCCCC[N@@H+]2[C@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000008852771 221061754 /nfs/dbraw/zinc/06/17/54/221061754.db2.gz DQCSMRNKPJZMOD-DYESRHJHSA-N 1 0 377.488 5.424 50 0 GKAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccccc1C(F)(F)F ZINC000008863073 221061759 /nfs/dbraw/zinc/06/17/59/221061759.db2.gz YSAJSQLJZBVPHA-SFHVURJKSA-N 1 0 396.478 5.114 50 0 GKAARO CC(C)n1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000009959499 221094987 /nfs/dbraw/zinc/09/49/87/221094987.db2.gz TVHNMGWDYGOFBE-UHFFFAOYSA-N 1 0 396.560 5.307 50 0 GKAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1sc2ccccc2c1Cl ZINC000009992163 221095139 /nfs/dbraw/zinc/09/51/39/221095139.db2.gz OIXWPVLFPGYTOI-UHFFFAOYSA-N 1 0 384.932 5.081 50 0 GKAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+]1CCCC[C@H]1CCO ZINC000012074942 221147744 /nfs/dbraw/zinc/14/77/44/221147744.db2.gz LWHQXRFFXIAGDE-FQEVSTJZSA-N 1 0 392.499 5.179 50 0 GKAARO CC(=O)c1cc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)cs1 ZINC000012315002 221179027 /nfs/dbraw/zinc/17/90/27/221179027.db2.gz YKUATVBUOCFDMY-LJQANCHMSA-N 1 0 397.519 5.079 50 0 GKAARO CC(=O)c1cc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)cs1 ZINC000012315003 221179862 /nfs/dbraw/zinc/17/98/62/221179862.db2.gz YKUATVBUOCFDMY-IBGZPJMESA-N 1 0 397.519 5.079 50 0 GKAARO CCC(CC)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 ZINC000012195726 221166469 /nfs/dbraw/zinc/16/64/69/221166469.db2.gz PIQBFBODJKOJST-IBGZPJMESA-N 1 0 380.532 5.201 50 0 GKAARO Fc1ccccc1C[NH2+]Cc1cc2cc3c(cc2nc1-c1ccsc1)OCO3 ZINC000012243342 221173434 /nfs/dbraw/zinc/17/34/34/221173434.db2.gz BMULNQALJNARGF-UHFFFAOYSA-N 1 0 392.455 5.121 50 0 GKAARO COc1cc(-c2nc(C[N@H+](C)[C@H]3CCCc4ccccc43)c(C)o2)ccc1F ZINC000012572357 221208619 /nfs/dbraw/zinc/20/86/19/221208619.db2.gz RQZLXAYTIZQVDZ-NRFANRHFSA-N 1 0 380.463 5.307 50 0 GKAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2)CC1 ZINC000012571734 221209044 /nfs/dbraw/zinc/20/90/44/221209044.db2.gz KIEJMXQYTIUZKW-HXUWFJFHSA-N 1 0 394.563 5.155 50 0 GKAARO c1ccc(C(c2ccccc2)[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000013155020 221262952 /nfs/dbraw/zinc/26/29/52/221262952.db2.gz STBYLSNMAJMCIF-UHFFFAOYSA-N 1 0 379.507 5.146 50 0 aggregator GKAARO CC[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000013633571 221277827 /nfs/dbraw/zinc/27/78/27/221277827.db2.gz HKJVXAYMDUGIOW-KUSCKROYSA-N 1 0 387.523 5.385 50 0 GKAARO FC(F)Oc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 ZINC000013686391 221281112 /nfs/dbraw/zinc/28/11/12/221281112.db2.gz JCCAPCUJDFCOJN-UHFFFAOYSA-N 1 0 389.853 5.413 50 0 GKAARO CC(C)OCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013721568 221284347 /nfs/dbraw/zinc/28/43/47/221284347.db2.gz TWXRBCNCAGAGJJ-UHFFFAOYSA-N 1 0 382.331 5.477 50 0 GKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](CC(C)(C)C)CC2)c1 ZINC000015074296 221331093 /nfs/dbraw/zinc/33/10/93/221331093.db2.gz ACHPHDTZJDCHGG-UHFFFAOYSA-N 1 0 380.532 5.059 50 0 GKAARO Cc1ccc([C@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)[NH+](C)C)cc1 ZINC000015859876 221348990 /nfs/dbraw/zinc/34/89/90/221348990.db2.gz HKFXIWFBBGFUQZ-KRWDZBQOSA-N 1 0 386.948 5.204 50 0 GKAARO Cc1ccc(C)c(C[N@@H+]2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c1 ZINC000015864824 221350004 /nfs/dbraw/zinc/35/00/04/221350004.db2.gz IMSBJUPMRSJJQN-RUZDIDTESA-N 1 0 387.592 6.391 50 0 GKAARO c1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000016480648 221363654 /nfs/dbraw/zinc/36/36/54/221363654.db2.gz XFHDUVWPYYHSMW-UHFFFAOYSA-N 1 0 397.474 5.437 50 0 GKAARO Fc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)cc1 ZINC000017311062 221383430 /nfs/dbraw/zinc/38/34/30/221383430.db2.gz YSGKYCAXLVHBNC-UHFFFAOYSA-N 1 0 377.488 5.089 50 0 GKAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000017311654 221383869 /nfs/dbraw/zinc/38/38/69/221383869.db2.gz ZBTHAXLLPHOWEW-UHFFFAOYSA-N 1 0 398.428 5.556 50 0 GKAARO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1Br ZINC000019841335 221459960 /nfs/dbraw/zinc/45/99/60/221459960.db2.gz PARPNOBTXHLQLT-UHFFFAOYSA-N 1 0 389.120 5.097 50 0 GKAARO Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](C4CCSCC4)CC3)cc2)c1 ZINC000019743093 221449598 /nfs/dbraw/zinc/44/95/98/221449598.db2.gz NGPAMBNPQFWGMS-UHFFFAOYSA-N 1 0 394.584 5.208 50 0 GKAARO c1ccn(-c2ccc(CC3CC[NH+](Cc4ccc5ccccc5c4)CC3)cc2)c1 ZINC000023317878 221592346 /nfs/dbraw/zinc/59/23/46/221592346.db2.gz QZMIOLJFVUZHPZ-UHFFFAOYSA-N 1 0 380.535 6.085 50 0 GKAARO CC[NH+](CC)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 ZINC000028292469 221673709 /nfs/dbraw/zinc/67/37/09/221673709.db2.gz BCLIWCKOQUFKCE-KRWDZBQOSA-N 1 0 386.948 5.368 50 0 GKAARO C[C@@H](C[NH+](Cc1ccccc1)Cc1ccccc1)OC(=O)c1cccc(F)c1 ZINC000057541829 222035577 /nfs/dbraw/zinc/03/55/77/222035577.db2.gz VWLBHWSWWBMUDY-IBGZPJMESA-N 1 0 377.459 5.073 50 0 GKAARO c1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000055200066 222018874 /nfs/dbraw/zinc/01/88/74/222018874.db2.gz KRTPTIFSWFXFSA-DEOSSOPVSA-N 1 0 377.576 5.129 50 0 GKAARO Cc1ccc([C@H](C(=O)NC2CCCC2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000058012604 222038121 /nfs/dbraw/zinc/03/81/21/222038121.db2.gz YMGNMILANIBKAG-RUZDIDTESA-N 1 0 390.571 5.050 50 0 GKAARO COc1cc(-c2cccnc2)cc2c1OCC[N@H+](Cc1ccc3ccccc3c1)C2 ZINC000064066869 222069241 /nfs/dbraw/zinc/06/92/41/222069241.db2.gz JVBRVQDQVWJJAS-UHFFFAOYSA-N 1 0 396.490 5.305 50 0 GKAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)Nc2cccc3cnccc32)cc1 ZINC000096165184 222394828 /nfs/dbraw/zinc/39/48/28/222394828.db2.gz RRVDPYFHCGKPKF-HSZRJFAPSA-N 1 0 388.515 5.056 50 0 GKAARO CC(C)(C)c1ccc(C[NH+]2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000000629982 570211678 /nfs/dbraw/zinc/21/16/78/570211678.db2.gz GXZGUXKEBBOVQJ-UHFFFAOYSA-N 1 0 393.962 5.508 50 0 GKAARO Cc1cccc(C(=O)Nc2ncc(C[NH+]3CCC(c4ccccc4)CC3)s2)c1 ZINC000000643432 570213635 /nfs/dbraw/zinc/21/36/35/570213635.db2.gz FZDAWJACBWMDQW-UHFFFAOYSA-N 1 0 391.540 5.083 50 0 GKAARO Cc1c(C)n(C[C@@H](O)C[NH+](C2CCCCC2)C2CCCCC2)c2ccccc12 ZINC000000707011 570219027 /nfs/dbraw/zinc/21/90/27/570219027.db2.gz HHKHHPHWACXUFU-HSZRJFAPSA-N 1 0 382.592 5.586 50 0 GKAARO O=C(Nc1ccccc1Cl)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019794445 570219992 /nfs/dbraw/zinc/21/99/92/570219992.db2.gz FSJLKVCPANXFLU-UHFFFAOYSA-N 1 0 376.887 5.151 50 0 GKAARO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc21 ZINC000000727368 570221300 /nfs/dbraw/zinc/22/13/00/570221300.db2.gz OWGCZWUUDIKEQW-UHFFFAOYSA-N 1 0 380.923 5.341 50 0 biogenic GKAARO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)s1 ZINC000019836871 570224257 /nfs/dbraw/zinc/22/42/57/570224257.db2.gz MSDMSECZCXWOFN-NRFANRHFSA-N 1 0 376.525 5.213 50 0 GKAARO FC(F)(F)c1ccccc1CN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000019841204 570224779 /nfs/dbraw/zinc/22/47/79/570224779.db2.gz YPJNEHHSURJROB-UHFFFAOYSA-N 1 0 384.445 5.176 50 0 GKAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000012810599 570225281 /nfs/dbraw/zinc/22/52/81/570225281.db2.gz HIHAZBDOOVQUIU-MNOVXSKESA-N 1 0 388.792 5.176 50 0 GKAARO Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)C[NH+]3CCCCC3)c3ccccc32)cc1 ZINC000000985098 570233311 /nfs/dbraw/zinc/23/33/11/570233311.db2.gz JNRPQABIBRXNSO-AREMUKBSSA-N 1 0 390.571 5.302 50 0 GKAARO COc1ccc2[nH+]c(C)cc(NCc3cccc(NC(=O)c4ccco4)c3)c2c1 ZINC000048302186 570234442 /nfs/dbraw/zinc/23/44/42/570234442.db2.gz WDNREDHCTNEONL-UHFFFAOYSA-N 1 0 387.439 5.009 50 0 GKAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc3c(c1)Cc1ccccc1-3)[NH2+]CC2 ZINC000020494878 570263797 /nfs/dbraw/zinc/26/37/97/570263797.db2.gz JWEDNZOJOJECSJ-SANMLTNESA-N 1 0 385.507 5.290 50 0 GKAARO CC(C)(C)c1cc([C@@H](c2ccccn2)[NH+]2CCCCC2)cc(C(C)(C)C)c1O ZINC000001802395 570268681 /nfs/dbraw/zinc/26/86/81/570268681.db2.gz RDUMNAIGJYWYQG-QFIPXVFZSA-N 1 0 380.576 5.958 50 0 GKAARO CCc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000020607616 570271533 /nfs/dbraw/zinc/27/15/33/570271533.db2.gz INNVAFCCUUWNAL-QPTUXGOLSA-N 1 0 399.962 5.476 50 0 GKAARO C[NH+](C)Cc1cccc(S[C@H]2c3ccccc3CSc3ccccc32)c1 ZINC000002049816 570272465 /nfs/dbraw/zinc/27/24/65/570272465.db2.gz UJAJAALVVRGPJM-QHCPKHFHSA-N 1 0 377.578 6.236 50 0 GKAARO COc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1OCc1ccccc1 ZINC000002181884 570277589 /nfs/dbraw/zinc/27/75/89/570277589.db2.gz DAKSQZZDHXNAHO-UHFFFAOYSA-N 1 0 386.495 5.088 50 0 GKAARO CC(C)(C)[PH+](c1ccc2ccccc2c1-c1cccc2ccccc21)C(C)(C)C ZINC000002243420 570280075 /nfs/dbraw/zinc/28/00/75/570280075.db2.gz QGBQGMHXBSLYLZ-UHFFFAOYSA-N 1 0 398.530 8.364 50 0 GKAARO COc1cccc(C[NH2+]Cc2cccs2)c1OCc1ccc(F)cc1Cl ZINC000020876196 570283478 /nfs/dbraw/zinc/28/34/78/570283478.db2.gz GPMUWOLSHCCDDK-UHFFFAOYSA-N 1 0 391.895 5.418 50 0 GKAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000020917895 570284983 /nfs/dbraw/zinc/28/49/83/570284983.db2.gz YVZDBPRCBQRKGS-OAHLLOKOSA-N 1 0 379.485 5.232 50 0 GKAARO Cc1nc(CC[NH2+]Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000020919620 570285041 /nfs/dbraw/zinc/28/50/41/570285041.db2.gz AEHLONBQQUVKKV-UHFFFAOYSA-N 1 0 388.540 5.149 50 0 GKAARO CCn1c2ccccc2c2cc(CN3CCC([NH+]4CCCCC4)CC3)ccc21 ZINC000002752416 570298438 /nfs/dbraw/zinc/29/84/38/570298438.db2.gz ZFQPKJHHMMGQKL-UHFFFAOYSA-N 1 0 375.560 5.265 50 0 GKAARO COc1ccc([C@@H]2CCCN2CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000012928332 570298608 /nfs/dbraw/zinc/29/86/08/570298608.db2.gz OMRZDQAZNIMESF-KRWDZBQOSA-N 1 0 393.314 5.086 50 0 GKAARO O=C(c1ccco1)N(c1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034682467 570300213 /nfs/dbraw/zinc/30/02/13/570300213.db2.gz WLMDAOXEDXHWAN-UHFFFAOYSA-N 1 0 394.902 5.244 50 0 GKAARO CC(C)C(=O)N(c1ccccc1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034682490 570300283 /nfs/dbraw/zinc/30/02/83/570300283.db2.gz SHISXDQXBNAAGY-UHFFFAOYSA-N 1 0 378.560 5.464 50 0 GKAARO Cc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034682549 570300328 /nfs/dbraw/zinc/30/03/28/570300328.db2.gz UHWBNBKOGSCIMU-UHFFFAOYSA-N 1 0 390.552 5.368 50 0 GKAARO Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000034683322 570301055 /nfs/dbraw/zinc/30/10/55/570301055.db2.gz BWAOXZYIHGUWAI-UHFFFAOYSA-N 1 0 388.511 5.208 50 0 GKAARO Clc1ccc([C@@H]2[C@H]3CCCC[C@]3([NH+]3CCCC3)ON2c2ccccc2)cc1 ZINC000104568222 570303106 /nfs/dbraw/zinc/30/31/06/570303106.db2.gz VTHPIPJKAPTIFC-ZLNRFVROSA-N 1 0 382.935 5.815 50 0 GKAARO Clc1ccccc1COc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000022073777 570304955 /nfs/dbraw/zinc/30/49/55/570304955.db2.gz DQGSINZXUANONG-UHFFFAOYSA-N 1 0 381.947 5.833 50 0 GKAARO c1ccc(Oc2cccc(CN3CC[N@@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)c2)cc1 ZINC000584904407 570319300 /nfs/dbraw/zinc/31/93/00/570319300.db2.gz ICFIGWARIJACRJ-CLJLJLNGSA-N 1 0 390.571 5.708 50 0 GKAARO CCCC[N@H+](C)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000003138242 570330324 /nfs/dbraw/zinc/33/03/24/570330324.db2.gz FVYIMPLVUUSCJL-MRXNPFEDSA-N 1 0 379.331 5.194 50 0 GKAARO CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000026492394 570336421 /nfs/dbraw/zinc/33/64/21/570336421.db2.gz CGYLKCFPBQHAJI-HSZRJFAPSA-N 1 0 380.532 5.247 50 0 GKAARO CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000026492398 570336515 /nfs/dbraw/zinc/33/65/15/570336515.db2.gz CGYLKCFPBQHAJI-QHCPKHFHSA-N 1 0 380.532 5.247 50 0 GKAARO O=C(CC[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000023079695 570343320 /nfs/dbraw/zinc/34/33/20/570343320.db2.gz VIVXMZVNMATKOU-UHFFFAOYSA-N 1 0 398.506 5.177 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(OC(C)C)cc2)C2CCCCC2)cc1 ZINC000050703354 570345910 /nfs/dbraw/zinc/34/59/10/570345910.db2.gz KZMBRATYPBSTHY-SANMLTNESA-N 1 0 395.587 6.326 50 0 GKAARO CCc1ccc(-c2cn3c4ccccc4nc3n2CC[NH2+]C2CCCCC2)cc1 ZINC000004855357 570349498 /nfs/dbraw/zinc/34/94/98/570349498.db2.gz KUJQKELRURGTHV-UHFFFAOYSA-N 1 0 386.543 5.441 50 0 GKAARO c1ccc(CCN2CCC([NH2+][C@@H](Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000004022664 570354908 /nfs/dbraw/zinc/35/49/08/570354908.db2.gz DPCQZDOBXFSWBU-MHZLTWQESA-N 1 0 384.567 5.267 50 0 GKAARO COc1ccc(C[NH2+]CC[C@]2(CCC(C)C)CCOC(C)(C)C2)cc1OC ZINC000004073752 570356679 /nfs/dbraw/zinc/35/66/79/570356679.db2.gz QRHOFIDHKFJTMZ-HSZRJFAPSA-N 1 0 377.569 5.195 50 0 biogenic GKAARO C[NH+](C)CCS[C@]1(c2ccccc2)c2ccccc2CSc2ccccc21 ZINC000004128179 570359103 /nfs/dbraw/zinc/35/91/03/570359103.db2.gz CGFSWQMESVHTJX-XMMPIXPASA-N 1 0 391.605 5.879 50 0 GKAARO O[C@H](C[NH2+]Cc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004159410 570360508 /nfs/dbraw/zinc/36/05/08/570360508.db2.gz PNHFCVLKJMHHPH-GOSISDBHSA-N 1 0 399.321 5.252 50 0 GKAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1cccs1 ZINC000004174155 570360851 /nfs/dbraw/zinc/36/08/51/570360851.db2.gz QBJIOBGOIOKFHN-UHFFFAOYSA-N 1 0 383.557 5.250 50 0 GKAARO Clc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2ccccc2)cc1 ZINC000023424890 570362100 /nfs/dbraw/zinc/36/21/00/570362100.db2.gz JDEGAXFPQNPWEL-UHFFFAOYSA-N 1 0 387.914 5.525 50 0 GKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccn2)[NH+]2CCCCC2)c1C ZINC000004247755 570364168 /nfs/dbraw/zinc/36/41/68/570364168.db2.gz VZEJFTXULJXTJC-HXUWFJFHSA-N 1 0 395.528 5.181 50 0 GKAARO CCn1c2ccccc2c2cc(Nc3c4ccccc4[nH+]c4c3CCCC4)ccc21 ZINC000004922367 570369823 /nfs/dbraw/zinc/36/98/23/570369823.db2.gz CPSSNCAYCCHNRR-UHFFFAOYSA-N 1 0 391.518 6.985 50 0 GKAARO CC1(C)CC(=O)C[C@]2(C1)[NH2+]C[C@H](c1ccccc1Cl)c1c3ccccc3[nH]c12 ZINC000023908181 570375221 /nfs/dbraw/zinc/37/52/21/570375221.db2.gz YDXXMDROEYQMOS-HOYKHHGWSA-N 1 0 392.930 5.531 50 0 GKAARO c1csc(-c2cc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)no2)c1 ZINC000023995559 570376680 /nfs/dbraw/zinc/37/66/80/570376680.db2.gz NTMHIMYHBHOQPU-CQSZACIVSA-N 1 0 381.526 5.392 50 0 GKAARO O=C(Nc1cccc(C[NH2+]CCc2cccc(F)c2)c1)c1ccccc1Cl ZINC000024084745 570378511 /nfs/dbraw/zinc/37/85/11/570378511.db2.gz FRVKVERKHGLQPQ-UHFFFAOYSA-N 1 0 382.866 5.064 50 0 GKAARO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000020529083 570382695 /nfs/dbraw/zinc/38/26/95/570382695.db2.gz YHYQZSVKBBWONV-OLECZQGESA-N 1 0 391.555 5.467 50 0 biogenic GKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1sc2ccccc2c1Cl ZINC000004554754 570384035 /nfs/dbraw/zinc/38/40/35/570384035.db2.gz IREMMGYZUAXEPM-UHFFFAOYSA-N 1 0 384.932 5.793 50 0 GKAARO C[N@H+](Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc2S1)C1CCCCC1 ZINC000024832598 570394855 /nfs/dbraw/zinc/39/48/55/570394855.db2.gz RBGXGLSAXYKZSW-QFIPXVFZSA-N 1 0 380.557 5.107 50 0 GKAARO COc1ccccc1[C@]1(CC[NH2+][C@@H](C)c2cccs2)CCO[C@@H](C(C)C)C1 ZINC000005034670 570403354 /nfs/dbraw/zinc/40/33/54/570403354.db2.gz CEYBVEUXOMNZSU-QTGUNEKASA-N 1 0 387.589 5.570 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(F)cc2)[C@H]2CCOC(C)(C)C2)cc1 ZINC000004808938 570406570 /nfs/dbraw/zinc/40/65/70/570406570.db2.gz AKQUMANZBQUAEU-NZQKXSOJSA-N 1 0 385.523 5.303 50 0 GKAARO c1ccc2c(c1)nc(NCc1cccc3ccccc31)n2CC[NH+]1CCCCC1 ZINC000005054415 570408778 /nfs/dbraw/zinc/40/87/78/570408778.db2.gz CPCYFYVCFJUSHD-UHFFFAOYSA-N 1 0 384.527 5.288 50 0 GKAARO Clc1ccc(C[NH+]2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 ZINC000000837039 570409401 /nfs/dbraw/zinc/40/94/01/570409401.db2.gz YATPAHDOUJPRNV-UHFFFAOYSA-N 1 0 386.326 5.763 50 0 GKAARO COc1cc(C[NH2+][C@@H]2CCCc3ccccc32)ccc1OCc1c(C)noc1C ZINC000025259812 570409655 /nfs/dbraw/zinc/40/96/55/570409655.db2.gz BAEGVDMYYOPHDS-JOCHJYFZSA-N 1 0 392.499 5.046 50 0 GKAARO CCCCCCSc1ccc([C@H](SCC[NH+](C)C)c2ccccc2)cc1 ZINC000033641200 570411178 /nfs/dbraw/zinc/41/11/78/570411178.db2.gz PJNBLGOVCNGKJM-HSZRJFAPSA-N 1 0 387.658 6.743 50 0 GKAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000025414951 570413351 /nfs/dbraw/zinc/41/33/51/570413351.db2.gz MOILVZQKHZLEJV-XMMPIXPASA-N 1 0 386.495 5.138 50 0 GKAARO CC(C)[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004863315 570413421 /nfs/dbraw/zinc/41/34/21/570413421.db2.gz QTRIGFJYNKGEIO-QYOOZWMWSA-N 1 0 389.514 5.761 50 0 GKAARO COc1cc(C[N@H+](C)Cc2cccc3ccccc32)ccc1OCc1ccccc1 ZINC000004986544 570421445 /nfs/dbraw/zinc/42/14/45/570421445.db2.gz KGMZBUREXKZUEH-UHFFFAOYSA-N 1 0 397.518 6.059 50 0 GKAARO CC[NH+](CC)CCOC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl ZINC000033825366 570421942 /nfs/dbraw/zinc/42/19/42/570421942.db2.gz PLUTVIOAWOUWNM-UHFFFAOYSA-N 1 0 395.330 5.544 50 0 GKAARO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+]([C@@H]1CC[C@@H](C)C1)CC2 ZINC000005033060 570425264 /nfs/dbraw/zinc/42/52/64/570425264.db2.gz ISLQETMKIRTGFE-ZOUOIUENSA-N 1 0 385.935 5.493 50 0 GKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)nc1 ZINC000005245628 570432397 /nfs/dbraw/zinc/43/23/97/570432397.db2.gz MWGJJDLLQRNXDN-MRXNPFEDSA-N 1 0 382.891 5.173 50 0 GKAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc2ccccc21 ZINC000027581293 570436502 /nfs/dbraw/zinc/43/65/02/570436502.db2.gz JXGYEDCOEWDQII-JOCHJYFZSA-N 1 0 378.903 5.060 50 0 GKAARO CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662573 570438802 /nfs/dbraw/zinc/43/88/02/570438802.db2.gz JUGFKHQTMLSCSJ-HXUWFJFHSA-N 1 0 384.589 5.393 50 0 GKAARO Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027664679 570439736 /nfs/dbraw/zinc/43/97/36/570439736.db2.gz CPSUEORYVMXJHW-OAQYLSRUSA-N 1 0 376.500 5.007 50 0 GKAARO Cc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCCCC2)cc1 ZINC000027744231 570441273 /nfs/dbraw/zinc/44/12/73/570441273.db2.gz URVWEYNPMLDFQF-YXPXJKJVSA-N 1 0 394.603 5.245 50 0 GKAARO CC(C)(C)c1ccc([C@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000028293447 570457082 /nfs/dbraw/zinc/45/70/82/570457082.db2.gz QMDAYUNFDSGTEX-QFIPXVFZSA-N 1 0 398.978 5.595 50 0 GKAARO CC[NH+](CC)CCNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428333 570459659 /nfs/dbraw/zinc/45/96/59/570459659.db2.gz BKXWIUDMFXLSIH-UHFFFAOYSA-N 1 0 381.347 5.004 50 0 GKAARO Fc1ccc(C[NH2+]Cc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000028428213 570459760 /nfs/dbraw/zinc/45/97/60/570459760.db2.gz BYNFWECESRAKCE-UHFFFAOYSA-N 1 0 378.878 5.772 50 0 GKAARO COCCC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1C ZINC000035841021 570463445 /nfs/dbraw/zinc/46/34/45/570463445.db2.gz WEJFBPVZDMDWRX-UHFFFAOYSA-N 1 0 380.507 5.023 50 0 GKAARO COc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2C)[C@H](C)C(C)C)c1 ZINC000035841130 570463769 /nfs/dbraw/zinc/46/37/69/570463769.db2.gz QXQUUZLQFOKNRV-JOCHJYFZSA-N 1 0 390.571 5.900 50 0 GKAARO CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1F ZINC000035841240 570463788 /nfs/dbraw/zinc/46/37/88/570463788.db2.gz MVPQKHJDIQXJJS-IBGZPJMESA-N 1 0 382.498 5.861 50 0 GKAARO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000035843761 570464282 /nfs/dbraw/zinc/46/42/82/570464282.db2.gz BMEMQPPFTVAQID-UHFFFAOYSA-N 1 0 398.953 6.377 50 0 GKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)Cc3ccccc3)cc12)CC1CC1 ZINC000022660079 570483090 /nfs/dbraw/zinc/48/30/90/570483090.db2.gz PHJUNCNWBASQKS-UHFFFAOYSA-N 1 0 389.543 5.014 50 0 GKAARO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000006638922 570511820 /nfs/dbraw/zinc/51/18/20/570511820.db2.gz OXYSTUNVTNNBIW-SFHVURJKSA-N 1 0 396.840 5.571 50 0 GKAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2sccc2C)c(OC)c1OC ZINC000033087131 570519634 /nfs/dbraw/zinc/51/96/34/570519634.db2.gz LYJSPIKTVLJFDM-KRWDZBQOSA-N 1 0 375.534 5.200 50 0 GKAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@@H]1c1sccc1C ZINC000033087176 570519846 /nfs/dbraw/zinc/51/98/46/570519846.db2.gz SQHMYRUIBKJHEV-QGZVFWFLSA-N 1 0 375.534 5.200 50 0 GKAARO CSc1ccc(C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000006654429 570521104 /nfs/dbraw/zinc/52/11/04/570521104.db2.gz KXLAIEOVSSJFDR-UHFFFAOYSA-N 1 0 376.525 5.293 50 0 GKAARO COc1ccc(C[NH2+]Cc2c(Cl)n(Cc3ccccc3)c3ccccc32)cc1 ZINC000005242713 570526132 /nfs/dbraw/zinc/52/61/32/570526132.db2.gz KGXVORIQTKKJGT-UHFFFAOYSA-N 1 0 390.914 5.641 50 0 GKAARO CN1CCC([NH2+]CC[C@@H](Cc2ccccc2Cl)c2ccc(Cl)cc2)CC1 ZINC000006669506 570527676 /nfs/dbraw/zinc/52/76/76/570527676.db2.gz DKNCARCJZJDXNC-SFHVURJKSA-N 1 0 391.386 5.394 50 0 GKAARO Clc1ccc([C@H](CC[NH2+]Cc2ccccn2)Cc2ccccc2Cl)cc1 ZINC000006671604 570528371 /nfs/dbraw/zinc/52/83/71/570528371.db2.gz MOHFPJIHRKYFIJ-GOSISDBHSA-N 1 0 385.338 5.895 50 0 GKAARO CC1(C)C[C@H]([C@@H](CC[NH2+]Cc2ccccn2)Cc2ccccc2Cl)CCO1 ZINC000006672230 570528904 /nfs/dbraw/zinc/52/89/04/570528904.db2.gz ARWBNFIEFGHIQY-AZUAARDMSA-N 1 0 386.967 5.279 50 0 GKAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1OCc1ccccc1 ZINC000001193428 570535265 /nfs/dbraw/zinc/53/52/65/570535265.db2.gz DZEAWTMYCXLWJR-HSZRJFAPSA-N 1 0 388.511 5.396 50 0 GKAARO O=C(Nc1cccc2ccccc21)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020494690 570537384 /nfs/dbraw/zinc/53/73/84/570537384.db2.gz SWXBAUCLIHPQNE-UHFFFAOYSA-N 1 0 392.502 5.650 50 0 GKAARO O[C@@H](COc1ccc2ccccc2c1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000005091721 570541140 /nfs/dbraw/zinc/54/11/40/570541140.db2.gz YFZMIWFKEZNJHP-AREMUKBSSA-N 1 0 397.518 5.282 50 0 GKAARO O[C@@H](c1ccc(Br)cc1)[C@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000023550009 570542058 /nfs/dbraw/zinc/54/20/58/570542058.db2.gz QBTHZBCVENWEHX-RTWAWAEBSA-N 1 0 388.349 5.142 50 0 GKAARO COc1ccc(C[C@@H]2[NH2+][C@@H]3CCC[C@H]3c3c4cc(C)ccc4[nH]c32)cc1OC ZINC000034009357 570549892 /nfs/dbraw/zinc/54/98/92/570549892.db2.gz JNYYQFDMPWHXSD-POAQFYNOSA-N 1 0 376.500 5.017 50 0 GKAARO CCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744188 570563743 /nfs/dbraw/zinc/56/37/43/570563743.db2.gz VSKNFEHZNIYSTK-LOSJGSFVSA-N 1 0 381.560 5.343 50 0 GKAARO Cc1c(C[NH2+]Cc2cccs2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315546 570568557 /nfs/dbraw/zinc/56/85/57/570568557.db2.gz VRPXACMMOYSLFJ-UHFFFAOYSA-N 1 0 380.944 6.003 50 0 GKAARO Cc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000010475385 570571252 /nfs/dbraw/zinc/57/12/52/570571252.db2.gz MSOZEGFXCYKEEW-UHFFFAOYSA-N 1 0 396.328 5.626 50 0 GKAARO CC[NH+](CC)CCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000003205522 570596627 /nfs/dbraw/zinc/59/66/27/570596627.db2.gz NHMMRTVUEVUTBI-UHFFFAOYSA-N 1 0 382.444 5.223 50 0 GKAARO Clc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)c(Cl)c1 ZINC000005460689 570603857 /nfs/dbraw/zinc/60/38/57/570603857.db2.gz LGGACSMJQBHJJC-FPOVZHCZSA-N 1 0 394.305 6.489 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@H](CCC(C)C)c2ccc(OC(C)C)cc2)cc1 ZINC000005499723 570614706 /nfs/dbraw/zinc/61/47/06/570614706.db2.gz YCVVIDRKQVJJKD-HSZRJFAPSA-N 1 0 383.576 6.182 50 0 GKAARO CCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000006811654 570616165 /nfs/dbraw/zinc/61/61/65/570616165.db2.gz TTWIFHZUPZDBJZ-LOSJGSFVSA-N 1 0 381.560 5.343 50 0 GKAARO CCOc1ccc([C@](O)(CC(C)C)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811659 570616203 /nfs/dbraw/zinc/61/62/03/570616203.db2.gz XDCNZAPXVYVKTL-LOSJGSFVSA-N 1 0 381.560 5.199 50 0 GKAARO CCOc1ccc([C@](O)(CCC(C)C)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811663 570616213 /nfs/dbraw/zinc/61/62/13/570616213.db2.gz UJKXDJIVYXPRGO-IZZNHLLZSA-N 1 0 395.587 5.589 50 0 GKAARO CCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000006811626 570616241 /nfs/dbraw/zinc/61/62/41/570616241.db2.gz PQSHIPPEHNPMAR-IZZNHLLZSA-N 1 0 395.587 5.733 50 0 GKAARO c1cc(-c2nc3cc4c(cc3cc2C[NH2+]CCC2=CCCCC2)OCO4)cs1 ZINC000012152498 570618030 /nfs/dbraw/zinc/61/80/30/570618030.db2.gz SFBGCOXCXVNJRD-UHFFFAOYSA-N 1 0 392.524 5.672 50 0 GKAARO CCOc1ccccc1-c1nc(C[N@@H+](Cc2ccccc2)CC2CC2)c(C)o1 ZINC000012202881 570625145 /nfs/dbraw/zinc/62/51/45/570625145.db2.gz AHHRCPLSCVZPBX-UHFFFAOYSA-N 1 0 376.500 5.461 50 0 GKAARO Cc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)c1 ZINC000036348403 570629678 /nfs/dbraw/zinc/62/96/78/570629678.db2.gz CXKMEZAJZTXQDO-JOCHJYFZSA-N 1 0 384.445 5.811 50 0 GKAARO COc1ccc(C[NH+](Cc2ccc(OC)cc2)[C@@H](C)CCc2ccccc2)cc1 ZINC000044126532 570632214 /nfs/dbraw/zinc/63/22/14/570632214.db2.gz UXYLEYRNMKACDU-NRFANRHFSA-N 1 0 389.539 5.727 50 0 GKAARO CC[n+]1c(/C=C/C=C/C=C/N(C)c2ccccc2)sc2c(C)c(C)sc21 ZINC000004819028 570633421 /nfs/dbraw/zinc/63/34/21/570633421.db2.gz VRSAZQYHQSDFIT-UHFFFAOYSA-N 1 0 381.590 6.107 50 0 GKAARO CC(=O)c1cccc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c1 ZINC000012303561 570637552 /nfs/dbraw/zinc/63/75/52/570637552.db2.gz PALOYKJVGKIIJH-JOCHJYFZSA-N 1 0 391.490 5.017 50 0 GKAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](Cc2cccs2)CC1 ZINC000012314199 570640398 /nfs/dbraw/zinc/64/03/98/570640398.db2.gz YXRNHJUAVKBDNY-UHFFFAOYSA-N 1 0 394.515 5.405 50 0 GKAARO Cc1c([C@H](C)[NH2+]Cc2ccccc2OC2CCCC2)cnn1-c1ccccc1 ZINC000012372924 570648198 /nfs/dbraw/zinc/64/81/98/570648198.db2.gz UVAPWNFLZJMHHI-SFHVURJKSA-N 1 0 375.516 5.353 50 0 GKAARO CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)C(C)C)c[nH]c21 ZINC000006872514 570664399 /nfs/dbraw/zinc/66/43/99/570664399.db2.gz NAWPHESYOOVGLY-UGKGYDQZSA-N 1 0 399.623 5.487 50 0 GKAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000012448051 570667404 /nfs/dbraw/zinc/66/74/04/570667404.db2.gz CSXGMAPSJDKGQF-LJQANCHMSA-N 1 0 376.525 5.052 50 0 GKAARO Cc1c([C@H](C)[NH2+]Cc2cccc(OCc3ccccc3)c2)cnn1-c1ccccc1 ZINC000012476079 570673930 /nfs/dbraw/zinc/67/39/30/570673930.db2.gz ALFHSBRLQQHFBI-FQEVSTJZSA-N 1 0 397.522 5.611 50 0 GKAARO O=C(CC[NH+]1CCCCC1)O[C@H]1CCCC[C@H]1SCc1ccc(Cl)cc1 ZINC000005634250 570676817 /nfs/dbraw/zinc/67/68/17/570676817.db2.gz VAVXGZXHFVMMQV-VQTJNVASSA-N 1 0 395.996 5.304 50 0 GKAARO Fc1ccc(C(F)(F)F)cc1C[NH2+]Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000055099999 570683008 /nfs/dbraw/zinc/68/30/08/570683008.db2.gz LXHQXICIEZKQDF-UHFFFAOYSA-N 1 0 399.391 5.678 50 0 GKAARO Fc1cccc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000055132473 570683926 /nfs/dbraw/zinc/68/39/26/570683926.db2.gz IMANVXMNEMAXJQ-HSZRJFAPSA-N 1 0 395.566 5.268 50 0 GKAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3ccccc3C(F)(F)F)c2C)cc1 ZINC000055120431 570684044 /nfs/dbraw/zinc/68/40/44/570684044.db2.gz OMWIDJDARSQZKW-AWEZNQCLSA-N 1 0 389.421 5.059 50 0 GKAARO CCCCN(C)C(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000012583913 570685122 /nfs/dbraw/zinc/68/51/22/570685122.db2.gz BIEAWQHLVAZDQC-UHFFFAOYSA-N 1 0 394.987 5.101 50 0 GKAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3ccccc3-c3ccco3)c2C)cc1 ZINC000012595894 570689118 /nfs/dbraw/zinc/68/91/18/570689118.db2.gz QUKLGAUAODKHMV-KRWDZBQOSA-N 1 0 387.483 5.300 50 0 GKAARO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012705152 570699906 /nfs/dbraw/zinc/69/99/06/570699906.db2.gz RACBDFLDLNZJBH-IBGZPJMESA-N 1 0 398.522 5.244 50 0 GKAARO C[C@H](C[NH+](Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccccc1F ZINC000057222632 570701755 /nfs/dbraw/zinc/70/17/55/570701755.db2.gz BCVUGELOWVRESK-LJQANCHMSA-N 1 0 377.459 5.073 50 0 GKAARO O=C(CC[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1)Nc1ccccc1F ZINC000012710575 570702146 /nfs/dbraw/zinc/70/21/46/570702146.db2.gz LTMDIRPJABLZRZ-QGZVFWFLSA-N 1 0 380.463 5.203 50 0 GKAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000017245155 570702209 /nfs/dbraw/zinc/70/22/09/570702209.db2.gz LZQFQOVIWCMKSK-DMVNYMPASA-N 1 0 397.603 5.157 50 0 GKAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(Cl)c(F)c2)cnn1-c1ccc(F)cc1F ZINC000012748023 570709118 /nfs/dbraw/zinc/70/91/18/570709118.db2.gz HHXFQRGUPMBEHS-LLVKDONJSA-N 1 0 379.813 5.102 50 0 GKAARO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006940545 570713676 /nfs/dbraw/zinc/71/36/76/570713676.db2.gz MYMZZYMNEYVILS-PIGZYNQJSA-N 1 0 397.733 5.641 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2F)[C@@H](C)C(C)C)c1 ZINC000004379065 570722951 /nfs/dbraw/zinc/72/29/51/570722951.db2.gz ITZBEKRIBFDVOD-NRFANRHFSA-N 1 0 378.535 6.031 50 0 GKAARO CC1CCC([NH+]2CCC(N(C)C(=O)Nc3cccc4ccccc43)CC2)CC1 ZINC000058392025 570730606 /nfs/dbraw/zinc/73/06/06/570730606.db2.gz BCQMHGZPXRBPQW-UHFFFAOYSA-N 1 0 379.548 5.347 50 0 GKAARO O=C(OCC[NH+]1CCCCC1)c1ccc(COc2ccc3ccccc3c2)cc1 ZINC000000998824 570744774 /nfs/dbraw/zinc/74/47/74/570744774.db2.gz QNHUWQIJGKAHAP-UHFFFAOYSA-N 1 0 389.495 5.062 50 0 GKAARO c1coc(-c2c(-c3ccccc3)ncn2C[C@H](c2cccnc2)[NH+]2CCCC2)c1 ZINC000065424907 570767825 /nfs/dbraw/zinc/76/78/25/570767825.db2.gz SVQPQWZWHNPOPK-OAQYLSRUSA-N 1 0 384.483 5.042 50 0 GKAARO CC(=O)C[C@H]1[NH+]=C(c2ccccc2)C(C)=C(c2ccccc2)N1c1ccccc1 ZINC000007101995 570790414 /nfs/dbraw/zinc/79/04/14/570790414.db2.gz PWMSQQBYKQYAPW-DEOSSOPVSA-N 1 0 380.491 5.732 50 0 GKAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1sc2ccccc2c1Cl ZINC000032761910 570800775 /nfs/dbraw/zinc/80/07/75/570800775.db2.gz DKGJGNIRHJVOBU-AWEZNQCLSA-N 1 0 390.961 5.183 50 0 GKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](CC(C)C)c1c[nH]c2ccccc21 ZINC000097954624 570801801 /nfs/dbraw/zinc/80/18/01/570801801.db2.gz RQVCIEZGRPJWLG-PMACEKPBSA-N 1 0 385.596 5.314 50 0 GKAARO Cc1c(Cl)cccc1NC(=S)N1CCC([N@@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000004668256 570814382 /nfs/dbraw/zinc/81/43/82/570814382.db2.gz YTRKDPGXSAKKPS-MGPUTAFESA-N 1 0 394.028 5.320 50 0 GKAARO Cc1cc(C)c(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)c(C)c1 ZINC000004668293 570814540 /nfs/dbraw/zinc/81/45/40/570814540.db2.gz LALVAULETQZLKL-LAUBAEHRSA-N 1 0 387.637 5.284 50 0 GKAARO CSc1cccc(NC(=S)N2CCC([N@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000004668255 570814555 /nfs/dbraw/zinc/81/45/55/570814555.db2.gz OEZKJADBPBLXQV-OXJNMPFZSA-N 1 0 391.650 5.080 50 0 GKAARO Cc1csc2cc3c(c(C(=O)c4ccccc4)[n+]12)-c1cccc2cccc-3c12 ZINC000004671211 570818491 /nfs/dbraw/zinc/81/84/91/570818491.db2.gz NPTABRDVTFCXAV-UHFFFAOYSA-N 1 0 378.476 5.827 50 0 GKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@H](c2ccc(OC(C)C)cc2)C(C)C)cc1 ZINC000001824151 570820143 /nfs/dbraw/zinc/82/01/43/570820143.db2.gz YKNVJFLNMDKNQM-RUZDIDTESA-N 1 0 383.576 6.181 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2cc(F)ccc2F)[C@@H](C)C(C)C)c1 ZINC000004507103 570823474 /nfs/dbraw/zinc/82/34/74/570823474.db2.gz FRWGCJXUAGWCPG-FQEVSTJZSA-N 1 0 396.525 6.170 50 0 GKAARO CSc1ccc(CNc2[nH+]cc(-c3ccc(Br)cc3)n2C)cc1 ZINC000004678171 570823713 /nfs/dbraw/zinc/82/37/13/570823713.db2.gz DXEOBZVXWKFCRZ-UHFFFAOYSA-N 1 0 388.334 5.184 50 0 GKAARO Cc1ccc(-c2c[nH+]c(NCc3cccc(Oc4ccccc4)c3)n2C)cc1C ZINC000004678944 570825258 /nfs/dbraw/zinc/82/52/58/570825258.db2.gz BJGOHYZWOYLIHN-UHFFFAOYSA-N 1 0 383.495 6.108 50 0 GKAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(Cl)c(Cl)c1 ZINC000004679245 570825333 /nfs/dbraw/zinc/82/53/33/570825333.db2.gz GTMHDNJNWCHUIT-UHFFFAOYSA-N 1 0 394.277 5.255 50 0 GKAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000012522805 570829051 /nfs/dbraw/zinc/82/90/51/570829051.db2.gz BUAJXYRJCCVLFM-HXUWFJFHSA-N 1 0 399.538 5.243 50 0 GKAARO COc1ccccc1[C@@H](C)[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000032825417 570839270 /nfs/dbraw/zinc/83/92/70/570839270.db2.gz PMYOQHOBGHLUKE-CYBMUJFWSA-N 1 0 381.303 5.024 50 0 GKAARO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000004715861 570856239 /nfs/dbraw/zinc/85/62/39/570856239.db2.gz ODEDXCONQRYZQL-QGZVFWFLSA-N 1 0 398.513 5.250 50 0 GKAARO c1cc(-c2nc3cc4c(cc3cc2C[NH2+]CCc2ccccc2)OCO4)cs1 ZINC000014885541 570863825 /nfs/dbraw/zinc/86/38/25/570863825.db2.gz UCJVQDPZICFFAY-UHFFFAOYSA-N 1 0 388.492 5.024 50 0 GKAARO COc1ccc2cc(C[NH2+]Cc3cccc(Cl)c3)c(-c3ccsc3)nc2c1 ZINC000015002664 570870729 /nfs/dbraw/zinc/87/07/29/570870729.db2.gz VCCXXBBWVONUBJ-UHFFFAOYSA-N 1 0 394.927 5.915 50 0 GKAARO FC(F)(F)c1ccccc1CC[C@@H]1CCC[N@H+](Cc2cncn2C2CC2)C1 ZINC000072163101 570875893 /nfs/dbraw/zinc/87/58/93/570875893.db2.gz VOQTZJWUFPDJDQ-INIZCTEOSA-N 1 0 377.454 5.082 50 0 GKAARO CC(C)=CC[NH+]1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000015070718 570876925 /nfs/dbraw/zinc/87/69/25/570876925.db2.gz AYBIMSCLAQWTPV-UHFFFAOYSA-N 1 0 389.499 5.112 50 0 GKAARO Cc1c([C@@H](C)[NH2+]Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)cnn1C ZINC000015078432 570878840 /nfs/dbraw/zinc/87/88/40/570878840.db2.gz QHBHAMIZFPVVIZ-LJQANCHMSA-N 1 0 399.542 5.049 50 0 GKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2Cl)N3)C1 ZINC000004555239 570882047 /nfs/dbraw/zinc/88/20/47/570882047.db2.gz ANKYQDWEQSGLFR-INIZCTEOSA-N 1 0 396.343 5.250 50 0 GKAARO S=C(Nc1ccc(Cl)cc1)N(CCC[NH+]1CCCCC1)Cc1ccco1 ZINC000004564836 570887146 /nfs/dbraw/zinc/88/71/46/570887146.db2.gz ASNPFDROEGEZPK-UHFFFAOYSA-N 1 0 391.968 5.008 50 0 GKAARO Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000103881615 570889816 /nfs/dbraw/zinc/88/98/16/570889816.db2.gz LMTREDBSWYYWLV-SANMLTNESA-N 1 0 388.530 5.849 50 0 GKAARO CC(C)[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(C2CCCCC2)cc1 ZINC000015523721 570895865 /nfs/dbraw/zinc/89/58/65/570895865.db2.gz IKIXOUBZTDMOMF-VWLOTQADSA-N 1 0 389.543 5.229 50 0 GKAARO CC[N@H+](CC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000004025687 570904018 /nfs/dbraw/zinc/90/40/18/570904018.db2.gz LFAXYRWVLVHNNF-AREMUKBSSA-N 1 0 395.587 5.725 50 0 biogenic GKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)cc2)(c2ccc(OC)cc2)CCO1 ZINC000004027670 570907479 /nfs/dbraw/zinc/90/74/79/570907479.db2.gz RZCWUQPCGKDIRD-JWQCQUIFSA-N 1 0 397.559 5.101 50 0 biogenic GKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(OC)cc2)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004026956 570907481 /nfs/dbraw/zinc/90/74/81/570907481.db2.gz UVKDIUMGVALWFS-QPPBQGQZSA-N 1 0 397.559 5.173 50 0 biogenic GKAARO C[NH+](C)CCCN(C(=O)c1ccc2ccccc2c1)c1nc2ccccc2s1 ZINC000004585333 570916851 /nfs/dbraw/zinc/91/68/51/570916851.db2.gz KIJQAXMFTLUSRB-UHFFFAOYSA-N 1 0 389.524 5.048 50 0 GKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC(C)C)cc2)(CCC(C)C)CCO1 ZINC000004073320 570930256 /nfs/dbraw/zinc/93/02/56/570930256.db2.gz ZTDVYEQPAGWHGG-LOSJGSFVSA-N 1 0 389.624 6.355 50 0 biogenic GKAARO CC(C)Cc1ccc([C@@H](C)C(=[NH2+])NC[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000002075140 570932162 /nfs/dbraw/zinc/93/21/62/570932162.db2.gz YGJSQXJBKDORBO-NHCUHLMSSA-N 1 0 378.604 6.558 50 0 biogenic GKAARO Cc1cc(Br)cc(C)c1OCCCC[N@@H+](C)Cc1ccccc1 ZINC000002822390 570933260 /nfs/dbraw/zinc/93/32/60/570933260.db2.gz JMKCZDZUEUBVKZ-UHFFFAOYSA-N 1 0 376.338 5.357 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002087799 570937785 /nfs/dbraw/zinc/93/77/85/570937785.db2.gz YUUHCQXJXXANCJ-AREMUKBSSA-N 1 0 389.539 5.794 50 0 biogenic GKAARO Clc1ccc([C@H]([NH2+]CCc2ccc3c(c2)OCCO3)c2ccccc2)cc1 ZINC000025778181 570957801 /nfs/dbraw/zinc/95/78/01/570957801.db2.gz JIZIBINCTSCJKL-HSZRJFAPSA-N 1 0 379.887 5.033 50 0 GKAARO CC1(C)C[C@H]([NH2+]CC[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CCO1 ZINC000032100142 570959750 /nfs/dbraw/zinc/95/97/50/570959750.db2.gz WWBPCYAMDXTOLI-RTWAWAEBSA-N 1 0 375.915 5.548 50 0 GKAARO CSc1ccc(C[NH+]2CCC(Nc3ccc(Br)cc3)CC2)cc1 ZINC000004749427 570961578 /nfs/dbraw/zinc/96/15/78/570961578.db2.gz AJMXFVBUUBNLTJ-UHFFFAOYSA-N 1 0 391.378 5.248 50 0 GKAARO CC(C)(C)Oc1ccc(C[NH2+]CC[C@@H](Cc2ccccc2)c2ccco2)cc1 ZINC000002153290 570973098 /nfs/dbraw/zinc/97/30/98/570973098.db2.gz SQKTZSVDSKNMTE-QFIPXVFZSA-N 1 0 377.528 5.963 50 0 biogenic GKAARO CCCCn1c(-c2ccc(OCC)cc2)c[nH+]c1NCc1ccccc1OC ZINC000004679411 570994378 /nfs/dbraw/zinc/99/43/78/570994378.db2.gz PJOPCMUMZOUUFR-UHFFFAOYSA-N 1 0 379.504 5.370 50 0 GKAARO Cc1c([C@H](C)[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cnn1C(C)C ZINC000252548994 570994806 /nfs/dbraw/zinc/99/48/06/570994806.db2.gz QOTGDXGEJBNDQL-INIZCTEOSA-N 1 0 394.494 5.015 50 0 GKAARO CC[C@@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000004887784 571005288 /nfs/dbraw/zinc/00/52/88/571005288.db2.gz GZJPIRRWLBXFSZ-LOSJGSFVSA-N 1 0 381.560 5.857 50 0 GKAARO COc1ccc(C[C@@H]2[NH2+][C@H]3CCC[C@H]3c3c4cc(C)ccc4[nH]c32)cc1OC ZINC000252614946 571017711 /nfs/dbraw/zinc/01/77/11/571017711.db2.gz JNYYQFDMPWHXSD-KPFFTGBYSA-N 1 0 376.500 5.017 50 0 GKAARO CC(C)(C)[C@@H]1CCCC2=C1[NH+]=C1N=CNN1[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000007699118 571017865 /nfs/dbraw/zinc/01/78/65/571017865.db2.gz NDHLSTZBSUTFHE-FYYLOGMGSA-N 1 0 384.527 5.713 50 0 GKAARO COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)c1OC ZINC000037522477 571024106 /nfs/dbraw/zinc/02/41/06/571024106.db2.gz CGYUCAPUJUMDLJ-XMMPIXPASA-N 1 0 390.527 5.117 50 0 GKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037523535 571025000 /nfs/dbraw/zinc/02/50/00/571025000.db2.gz LPKLCQDVHJRAJS-QHCPKHFHSA-N 1 0 398.472 6.065 50 0 GKAARO Cc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000037559466 571031211 /nfs/dbraw/zinc/03/12/11/571031211.db2.gz HHPGSBFCAOSNGQ-UHFFFAOYSA-N 1 0 398.550 5.615 50 0 GKAARO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]C1CCCC1 ZINC000022074265 230908192 /nfs/dbraw/zinc/90/81/92/230908192.db2.gz WMYCXNKCWPNWMG-UHFFFAOYSA-N 1 0 378.285 5.199 50 0 GKAARO Cc1ccccc1C[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000055035746 230936638 /nfs/dbraw/zinc/93/66/38/230936638.db2.gz PURMGPJGYBSMKV-UHFFFAOYSA-N 1 0 379.887 5.416 50 0 GKAARO CCCCc1ccc(NC(=O)c2cc3ccc(N(CC)CC)cc3oc2=[NH2+])cc1 ZINC000017079994 210203127 /nfs/dbraw/zinc/20/31/27/210203127.db2.gz DKBLVMJDULRRKN-UHFFFAOYSA-N 1 0 391.515 5.353 50 0 GKAARO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1cccs1 ZINC000016526013 210191186 /nfs/dbraw/zinc/19/11/86/210191186.db2.gz JISIDMIWZKQUCY-UHFFFAOYSA-N 1 0 377.484 5.909 50 0 GKAARO Cc1c([C@H](C)[NH2+]Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)cnn1C ZINC000015078434 210150379 /nfs/dbraw/zinc/15/03/79/210150379.db2.gz QHBHAMIZFPVVIZ-IBGZPJMESA-N 1 0 399.542 5.049 50 0 GKAARO Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCc3ccccn3)c(C)o2)s1 ZINC000014979111 210138235 /nfs/dbraw/zinc/13/82/35/210138235.db2.gz ZRBIVJHCSZAPKH-IBGZPJMESA-N 1 0 381.545 5.402 50 0 GKAARO COc1cccc(NC(=O)CCC2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)c1 ZINC000014965425 210135885 /nfs/dbraw/zinc/13/58/85/210135885.db2.gz ORZZSQJYEGYGLJ-GOSISDBHSA-N 1 0 398.547 5.221 50 0 GKAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000014138659 210105687 /nfs/dbraw/zinc/10/56/87/210105687.db2.gz ACOKSCLMTQHBCV-QGZVFWFLSA-N 1 0 392.524 5.136 50 0 GKAARO CC(C)c1ccc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)cc1 ZINC000013512860 210065347 /nfs/dbraw/zinc/06/53/47/210065347.db2.gz QTXXYQLMDPQXAU-UHFFFAOYSA-N 1 0 376.548 5.258 50 0 GKAARO CSc1cccc(NC(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)c1 ZINC000013363957 210058510 /nfs/dbraw/zinc/05/85/10/210058510.db2.gz ZNHRPESECQBKIS-UHFFFAOYSA-N 1 0 397.588 5.059 50 0 GKAARO COc1ccc2cc(C[NH2+]C[C@@H](C)c3ccccc3)c(-c3ccsc3)nc2c1 ZINC000011979487 209896743 /nfs/dbraw/zinc/89/67/43/209896743.db2.gz RGLZQWLRTYUINO-QGZVFWFLSA-N 1 0 388.536 5.865 50 0 GKAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](C2CCCCCC2)CC1 ZINC000011812738 209882418 /nfs/dbraw/zinc/88/24/18/209882418.db2.gz PTZFAEIXXRCBKE-UHFFFAOYSA-N 1 0 383.561 5.183 50 0 GKAARO CCC(CC)[NH+]1CCC(C(=O)Nc2ccccc2-c2cccc(OC)c2)CC1 ZINC000011718119 209879957 /nfs/dbraw/zinc/87/99/57/209879957.db2.gz HQMHHTUZOFMHDV-UHFFFAOYSA-N 1 0 380.532 5.201 50 0 GKAARO CCC[NH+](CCC)CCCNC(=O)C[C@H](c1ccc(OC(C)C)cc1)C(C)C ZINC000005303168 209585334 /nfs/dbraw/zinc/58/53/34/209585334.db2.gz XBIFVFLSCUABKM-QHCPKHFHSA-N 1 0 390.612 5.232 50 0 GKAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccc(Cl)c(Cl)c1 ZINC000004741696 209520811 /nfs/dbraw/zinc/52/08/11/209520811.db2.gz BHSIVFIOEYPGKN-UHFFFAOYSA-N 1 0 391.346 5.297 50 0 GKAARO CC[NH+](CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000003995983 209458107 /nfs/dbraw/zinc/45/81/07/209458107.db2.gz DMZCCFMMPHJWQY-BKWLFHPQSA-N 1 0 387.608 5.245 50 0 in-vitro GKAARO O=C(N1CCCCC1)N1c2ccccc2C[C@@H]([NH+]2CCCCC2)c2ccccc21 ZINC000002779459 209383534 /nfs/dbraw/zinc/38/35/34/209383534.db2.gz SBFGDCIELZYFGP-XMMPIXPASA-N 1 0 389.543 5.514 50 0 GKAARO Clc1ccc(-c2noc(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)n2)cc1 ZINC000010140759 209320395 /nfs/dbraw/zinc/32/03/95/209320395.db2.gz PIEIBSDIWNVVAJ-UHFFFAOYSA-N 1 0 392.890 5.251 50 0 GKAARO Cc1cc(C)c(NC(=O)[C@H]2CCCC[N@@H+]2C2C3CC4CC(C3)CC2C4)c(C)c1 ZINC000001227814 209316249 /nfs/dbraw/zinc/31/62/49/209316249.db2.gz DAZNHXYKNYGEKB-LZQJVVKJSA-N 1 0 380.576 5.230 50 0 GKAARO FC(F)(F)c1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000001227214 209316786 /nfs/dbraw/zinc/31/67/86/209316786.db2.gz CLDMPFDAJWFJIQ-UHFFFAOYSA-N 1 0 388.355 5.046 50 0 GKAARO Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000000778706 209263808 /nfs/dbraw/zinc/26/38/08/209263808.db2.gz KPBSHWJVTNMQBO-UHFFFAOYSA-N 1 0 395.890 5.152 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004027191 209232302 /nfs/dbraw/zinc/23/23/02/209232302.db2.gz DBOUKUPGIYVACZ-IRLDBZIGSA-N 1 0 397.559 5.173 50 0 biogenic GKAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccccc1)c1ccc(OC(C)C)cc1 ZINC000001835659 209228342 /nfs/dbraw/zinc/22/83/42/209228342.db2.gz MSYMTZURVQYITF-XMMPIXPASA-N 1 0 389.539 5.794 50 0 biogenic GKAARO CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2C)c(C(C)(C)CC)c1 ZINC000001868024 212259323 /nfs/dbraw/zinc/25/93/23/212259323.db2.gz FBKDVLVCTRMCFG-UHFFFAOYSA-N 1 0 396.639 6.825 50 0 GKAARO Cc1ccc(-c2cn3c4ccccc4nc3n2CCC[NH2+]C2CCCCC2)cc1 ZINC000001835711 212257455 /nfs/dbraw/zinc/25/74/55/212257455.db2.gz HVHJQZQLDLVPBN-UHFFFAOYSA-N 1 0 386.543 5.577 50 0 GKAARO CCC(C)(C)c1ccc(OCCOCC[n+]2ccccc2)c(C(C)(C)CC)c1 ZINC000001835645 212256961 /nfs/dbraw/zinc/25/69/61/212256961.db2.gz WNRUQHWZODCAHA-UHFFFAOYSA-N 1 0 384.584 5.445 50 0 GKAARO CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(C(F)(F)F)c1 ZINC000001774748 212255216 /nfs/dbraw/zinc/25/52/16/212255216.db2.gz IAZNOABSNCWRKN-UHFFFAOYSA-N 1 0 388.389 5.791 50 0 GKAARO CCCCOc1ccc([C@@H](O)[C@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000001781644 212255244 /nfs/dbraw/zinc/25/52/44/212255244.db2.gz HHWZRJJAOKEIDL-JWQCQUIFSA-N 1 0 381.560 5.559 50 0 GKAARO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000245232008 209214866 /nfs/dbraw/zinc/21/48/66/209214866.db2.gz NTQGEZJOMVFLMK-XPNIBREUSA-N 1 0 375.487 5.468 50 0 GKAARO Clc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)cc1 ZINC000001301520 212233756 /nfs/dbraw/zinc/23/37/56/212233756.db2.gz FKAPFQCXXVUWOW-UHFFFAOYSA-N 1 0 378.907 5.095 50 0 GKAARO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)Nc1cccc(Cl)c1 ZINC000001070984 212214270 /nfs/dbraw/zinc/21/42/70/212214270.db2.gz JNAIIZLBAXRHNN-UHFFFAOYSA-N 1 0 392.330 5.027 50 0 GKAARO C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000034896587 212177962 /nfs/dbraw/zinc/17/79/62/212177962.db2.gz VHEQVJXZOYORGL-MDOVXXIYSA-N 1 0 391.342 5.651 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000001815759 212144504 /nfs/dbraw/zinc/14/45/04/212144504.db2.gz WLQFTMKJBMLBJR-JWQCQUIFSA-N 1 0 381.560 5.256 50 0 biogenic GKAARO COc1ccc(C[NH2+]CC[C@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)cc1 ZINC000001815760 212143830 /nfs/dbraw/zinc/14/38/30/212143830.db2.gz WLQFTMKJBMLBJR-DQEYMECFSA-N 1 0 381.560 5.256 50 0 biogenic GKAARO Fc1ccc2cc(C[NH2+]Cc3ccccc3Cl)c(-c3ccsc3)nc2c1 ZINC000299755437 212030938 /nfs/dbraw/zinc/03/09/38/212030938.db2.gz CWUHPXMZXCZUOL-UHFFFAOYSA-N 1 0 382.891 6.046 50 0 GKAARO CCCCCOc1ccc([C@@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004311496 204038486 /nfs/dbraw/zinc/03/84/86/204038486.db2.gz JXNYRXSQPUKFRJ-JWQCQUIFSA-N 1 0 381.560 5.559 50 0 GKAARO CC(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(Cl)cc1 ZINC000003314351 203996914 /nfs/dbraw/zinc/99/69/14/203996914.db2.gz CPGDAGFHNYKSIW-NRFANRHFSA-N 1 0 390.999 5.385 50 0 GKAARO C[NH+](C)CCCN(Cc1ccccc1)C(=S)Nc1ccc(Cl)cc1Cl ZINC000003477519 204008852 /nfs/dbraw/zinc/00/88/52/204008852.db2.gz RHGGBXGAXJUWPE-UHFFFAOYSA-N 1 0 396.387 5.144 50 0 GKAARO S=C(Nc1ccc(Cl)cc1)N(CC[NH+]1CCCCCC1)Cc1ccco1 ZINC000003662259 204017712 /nfs/dbraw/zinc/01/77/12/204017712.db2.gz UOCACSAALYKQER-UHFFFAOYSA-N 1 0 391.968 5.008 50 0 GKAARO S=C(Nc1ccccc1Cl)N(CC[NH+]1CCCCCC1)Cc1ccco1 ZINC000003665735 204018000 /nfs/dbraw/zinc/01/80/00/204018000.db2.gz DUGCOHYAVUBBMK-UHFFFAOYSA-N 1 0 391.968 5.008 50 0 GKAARO Cc1cc(C)cc(NC(=S)N(CCC[NH+]2CCCCCC2)Cc2ccco2)c1 ZINC000003665703 204018714 /nfs/dbraw/zinc/01/87/14/204018714.db2.gz DAPVFMVQNUUHLB-UHFFFAOYSA-N 1 0 399.604 5.362 50 0 GKAARO CC[NH+](CC)CCCN(Cc1ccco1)C(=S)Nc1cccc(Cl)c1C ZINC000003665413 204018921 /nfs/dbraw/zinc/01/89/21/204018921.db2.gz QQYMHYKGYFWYDG-UHFFFAOYSA-N 1 0 393.984 5.172 50 0 GKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)cc2)(c2ccc(F)cc2)CCO1 ZINC000004844248 204082479 /nfs/dbraw/zinc/08/24/79/204082479.db2.gz VTBRVNHCNHSWKA-RPWUZVMVSA-N 1 0 385.523 5.231 50 0 GKAARO COc1cccc(CCCCCCCCCCCc2nc3ccccc3[nH]2)c1 ZINC000004416032 204044330 /nfs/dbraw/zinc/04/43/30/204044330.db2.gz JSUTVVOCENPVPK-UHFFFAOYSA-N 1 0 378.560 6.868 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@@H+](CCC(C)C)Cc2cc(F)cc(F)c2)c1 ZINC000004455296 204045640 /nfs/dbraw/zinc/04/56/40/204045640.db2.gz WAIHYGLOYNJECL-UHFFFAOYSA-N 1 0 396.525 6.171 50 0 GKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)N3)C1 ZINC000004555241 204053204 /nfs/dbraw/zinc/05/32/04/204053204.db2.gz AGQLNAVYWDFQMX-INIZCTEOSA-N 1 0 396.343 5.250 50 0 GKAARO CCOc1ccc([C@](O)(CC(C)C)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004584054 204055701 /nfs/dbraw/zinc/05/57/01/204055701.db2.gz LZPLVFVRKBPIGV-CLJLJLNGSA-N 1 0 395.587 5.589 50 0 GKAARO Fc1ccc(-c2nc3ccc(C(F)(F)F)cn3c2NCc2ccccc2)cc1 ZINC000004625450 204058152 /nfs/dbraw/zinc/05/81/52/204058152.db2.gz SUMPPOSWTCMMPP-UHFFFAOYSA-N 1 0 385.364 5.771 50 0 GKAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccccc1 ZINC000004657398 204059675 /nfs/dbraw/zinc/05/96/75/204059675.db2.gz IJUOJXBZKAUDIN-UHFFFAOYSA-N 1 0 377.528 5.189 50 0 GKAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1cccc(Br)c1 ZINC000004678519 204062838 /nfs/dbraw/zinc/06/28/38/204062838.db2.gz VIUQKAHHLVRRDR-UHFFFAOYSA-N 1 0 376.685 5.115 50 0 GKAARO COc1cccc(-c2c[nH+]c(NCc3cccc(OCc4ccccc4)c3)n2C)c1 ZINC000004678644 204062969 /nfs/dbraw/zinc/06/29/69/204062969.db2.gz HGVGOMLTEIIXKN-UHFFFAOYSA-N 1 0 399.494 5.287 50 0 GKAARO COc1cccc(CNc2[nH+]cc(-c3ccc(-c4ccccc4)cc3)n2C)c1OC ZINC000004678527 204063237 /nfs/dbraw/zinc/06/32/37/204063237.db2.gz XTPXROOQPIDEDO-UHFFFAOYSA-N 1 0 399.494 5.383 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2cccc(Cl)c2)[C@H](C)C(C)C)c1 ZINC000004928457 204092580 /nfs/dbraw/zinc/09/25/80/204092580.db2.gz YTJWLVKQKAYQQO-OAQYLSRUSA-N 1 0 394.990 6.545 50 0 GKAARO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000005027707 204104539 /nfs/dbraw/zinc/10/45/39/204104539.db2.gz PKSMIXVRARBJHK-UHFFFAOYSA-N 1 0 380.315 5.613 50 0 GKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1sc2ccccc2c1Cl ZINC000005447312 204133676 /nfs/dbraw/zinc/13/36/76/204133676.db2.gz AVSLSDOZPVTVDT-AEFFLSMTSA-N 1 0 396.943 5.311 50 0 GKAARO COc1ccc([C@H]2CCCCC[N@@H+]2[C@@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000008852773 204291275 /nfs/dbraw/zinc/29/12/75/204291275.db2.gz DQCSMRNKPJZMOD-LAUBAEHRSA-N 1 0 377.488 5.424 50 0 GKAARO CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008326316 204272346 /nfs/dbraw/zinc/27/23/46/204272346.db2.gz JMCGQJQVMVHQHO-INIZCTEOSA-N 1 0 388.722 5.086 50 0 GKAARO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H]3c3cccs3)cc2)cc1 ZINC000008429840 204276764 /nfs/dbraw/zinc/27/67/64/204276764.db2.gz GMYHIGGIKOJNHU-NRFANRHFSA-N 1 0 392.524 5.346 50 0 GKAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccc(F)cc1Cl ZINC000008471769 204277305 /nfs/dbraw/zinc/27/73/05/204277305.db2.gz XVZINMANUDMYQH-UHFFFAOYSA-N 1 0 391.895 5.418 50 0 GKAARO O=C(NCCC1=CCCCC1)[C@@H]1CC12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000011870264 204360034 /nfs/dbraw/zinc/36/00/34/204360034.db2.gz XXBVAEZMBZFPHC-QFIPXVFZSA-N 1 0 392.543 5.042 50 0 GKAARO CC(=O)c1cccc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c1 ZINC000012027354 204367565 /nfs/dbraw/zinc/36/75/65/204367565.db2.gz QNRKVCHSPBZWAV-JOCHJYFZSA-N 1 0 387.527 5.187 50 0 GKAARO Cc1ccccc1C[NH+]1CCC(C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000013945739 204517909 /nfs/dbraw/zinc/51/79/09/204517909.db2.gz COFJOMLYSCAAMG-UHFFFAOYSA-N 1 0 398.550 5.113 50 0 GKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000017310449 204610899 /nfs/dbraw/zinc/61/08/99/204610899.db2.gz GZAOZIWQQGAUOS-OAQYLSRUSA-N 1 0 396.538 5.104 50 0 GKAARO CC(C)CC[NH+]1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000020916262 204744995 /nfs/dbraw/zinc/74/49/95/204744995.db2.gz JHVGDXLYZQNUST-UHFFFAOYSA-N 1 0 391.515 5.191 50 0 GKAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000013751349 211960551 /nfs/dbraw/zinc/96/05/51/211960551.db2.gz DWMBLMXBAOMOLC-XDZXDJIYSA-N 1 0 385.551 5.852 50 0 GKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cccc(Cl)c2)s1 ZINC000022622536 204784775 /nfs/dbraw/zinc/78/47/75/204784775.db2.gz LZXBIYWSCKUEKX-OAHLLOKOSA-N 1 0 378.969 5.309 50 0 GKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000036347332 205012241 /nfs/dbraw/zinc/01/22/41/205012241.db2.gz JZPGWRZLONRHNB-QFIPXVFZSA-N 1 0 384.445 5.811 50 0 GKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)cc1OC ZINC000037523545 205027594 /nfs/dbraw/zinc/02/75/94/205027594.db2.gz YJUBFOZTTBSGOL-RUZDIDTESA-N 1 0 390.527 5.117 50 0 GKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)cc1OC ZINC000037523546 205027765 /nfs/dbraw/zinc/02/77/65/205027765.db2.gz YJUBFOZTTBSGOL-VWLOTQADSA-N 1 0 390.527 5.117 50 0 GKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)CC(C)C)c2ccc(C)cc2)CC1 ZINC000037570624 205030290 /nfs/dbraw/zinc/03/02/90/205030290.db2.gz ZARPOWOJTTVKFK-UHFFFAOYSA-N 1 0 394.559 5.047 50 0 GKAARO Cc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)o1 ZINC000055227354 205146057 /nfs/dbraw/zinc/14/60/57/205146057.db2.gz RFFAIKRKDUOESG-JOCHJYFZSA-N 1 0 381.564 5.030 50 0 GKAARO Cc1cccc2cc(C[N@@H+]3CCC[C@@H]3c3ccccn3)c(-c3cccs3)nc12 ZINC000072430572 205351029 /nfs/dbraw/zinc/35/10/29/205351029.db2.gz IRVXWPYQTNHSGF-OAQYLSRUSA-N 1 0 385.536 6.004 50 0 GKAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000078714196 205375114 /nfs/dbraw/zinc/37/51/14/205375114.db2.gz CJUOCLDYUCOARO-UZLBHIALSA-N 1 0 394.515 5.120 50 0 GKAARO CC(C)CCOc1ccc([C@@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004577839 205749996 /nfs/dbraw/zinc/74/99/96/205749996.db2.gz BVFZXSGNFKRJJA-LOSJGSFVSA-N 1 0 381.560 5.415 50 0 GKAARO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000013040793 211696638 /nfs/dbraw/zinc/69/66/38/211696638.db2.gz VHEQVJXZOYORGL-STXHMFSFSA-N 1 0 391.342 5.651 50 0 GKAARO Cc1ccc(-c2csc(N3[NH2+]C4=C(CCCCC4)[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000005274850 206215969 /nfs/dbraw/zinc/21/59/69/206215969.db2.gz CEXAMOATLBLXFT-KBXCAEBGSA-N 1 0 395.450 5.126 50 0 GKAARO O=C(N1CCCCC1)N1c2ccccc2C[C@H]([NH+]2CCCCC2)c2ccccc21 ZINC000000694743 206318138 /nfs/dbraw/zinc/31/81/38/206318138.db2.gz SBFGDCIELZYFGP-DEOSSOPVSA-N 1 0 389.543 5.514 50 0 GKAARO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCCCCC1 ZINC000000820883 206323693 /nfs/dbraw/zinc/32/36/93/206323693.db2.gz DXKYCRWEFUUADQ-KRWDZBQOSA-N 1 0 391.342 5.338 50 0 GKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCCCCC1 ZINC000000820882 206324151 /nfs/dbraw/zinc/32/41/51/206324151.db2.gz DXKYCRWEFUUADQ-QGZVFWFLSA-N 1 0 391.342 5.338 50 0 GKAARO CC[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000001288620 206371444 /nfs/dbraw/zinc/37/14/44/206371444.db2.gz JEKQPZGODPLINH-ZKGSSEMHSA-N 1 0 375.487 5.515 50 0 GKAARO C[N@@H+]1CCCC[C@@H]1Cn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000001485260 206383819 /nfs/dbraw/zinc/38/38/19/206383819.db2.gz URKVBEKZCMUTQC-HXUWFJFHSA-N 1 0 382.507 5.510 50 0 in-vitro GKAARO Cc1ccc([C@@]2(CC[NH2+][C@H](C)c3ccc(Cl)cc3)CCOC(C)(C)C2)cc1 ZINC000001902141 206394459 /nfs/dbraw/zinc/39/44/59/206394459.db2.gz AEDWQBNLDJFNFG-DVECYGJZSA-N 1 0 385.979 6.216 50 0 GKAARO COc1ccc(C[NH2+]CC[C@@]2(CCC(C)C)CCOC(C)(C)C2)cc1OC ZINC000004073751 206501638 /nfs/dbraw/zinc/50/16/38/206501638.db2.gz QRHOFIDHKFJTMZ-QHCPKHFHSA-N 1 0 377.569 5.195 50 0 biogenic GKAARO Cc1ccc2c(c1)SCc1ccccc1[C@]2(c1ccccc1)[NH+]1CCCCC1 ZINC000004128480 206503027 /nfs/dbraw/zinc/50/30/27/206503027.db2.gz VNUSJYFIDQNRBS-SANMLTNESA-N 1 0 385.576 6.379 50 0 GKAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1cccc(Cl)c1 ZINC000004678214 206541082 /nfs/dbraw/zinc/54/10/82/206541082.db2.gz SGHGFPIDMRGRAE-UHFFFAOYSA-N 1 0 376.685 5.115 50 0 GKAARO Cn1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072462856 211121902 /nfs/dbraw/zinc/12/19/02/211121902.db2.gz AAGHKGHKLSISOT-RUZDIDTESA-N 1 0 395.506 5.826 50 0 GKAARO CCCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000007261000 206706737 /nfs/dbraw/zinc/70/67/37/206706737.db2.gz FSNBKGJWFOMWST-UHFFFAOYSA-N 1 0 394.328 5.837 50 0 GKAARO Cc1ccc(C)c(C[N@@H+]2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c1 ZINC000015864823 207064607 /nfs/dbraw/zinc/06/46/07/207064607.db2.gz IMSBJUPMRSJJQN-VWLOTQADSA-N 1 0 387.592 6.391 50 0 GKAARO Cc1ccc(N(C(=O)c2cccc(C)c2)C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000034683003 210661849 /nfs/dbraw/zinc/66/18/49/210661849.db2.gz HYKMEYDBWODUNQ-UHFFFAOYSA-N 1 0 378.560 5.461 50 0 GKAARO c1ccc(C[NH2+][C@H](c2ccccc2)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000019889246 207167727 /nfs/dbraw/zinc/16/77/27/207167727.db2.gz KIBCXFHHZDMDON-KAYWLYCHSA-N 1 0 395.571 7.051 50 0 GKAARO Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020507246 207199036 /nfs/dbraw/zinc/19/90/36/207199036.db2.gz CKGRVFXTUYWZRJ-XMMPIXPASA-N 1 0 387.552 5.449 50 0 GKAARO O[C@](C[NH2+]Cc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccc(F)cc1 ZINC000020365966 207190236 /nfs/dbraw/zinc/19/02/36/207190236.db2.gz TUDHZAKGQTXOSS-OAQYLSRUSA-N 1 0 390.285 5.158 50 0 GKAARO FC(F)(F)c1cccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000020443478 207193334 /nfs/dbraw/zinc/19/33/34/207193334.db2.gz BPUWNSJIUPKYBY-UHFFFAOYSA-N 1 0 397.444 5.012 50 0 GKAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000022073916 207247309 /nfs/dbraw/zinc/24/73/09/207247309.db2.gz WZIPLJGWMOPXEZ-UHFFFAOYSA-N 1 0 399.937 6.117 50 0 GKAARO CCCCCCC(=O)Nc1ccc2[nH]cc(CC[N@H+](CCC)CC3CC3)c2c1 ZINC000022337890 207251859 /nfs/dbraw/zinc/25/18/59/207251859.db2.gz RYYJZHCHJHRTKN-UHFFFAOYSA-N 1 0 383.580 5.741 50 0 GKAARO COc1ccc2cc(-c3n[nH]cc3C[NH2+][C@H](C)Cc3cccs3)ccc2c1 ZINC000023130492 207269984 /nfs/dbraw/zinc/26/99/84/207269984.db2.gz OCFPHCZODLGNAC-OAHLLOKOSA-N 1 0 377.513 5.021 50 0 GKAARO CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](C(C)C)C2 ZINC000023153859 207271103 /nfs/dbraw/zinc/27/11/03/207271103.db2.gz UXDLSPYFGMTDLD-UHFFFAOYSA-N 1 0 385.558 5.140 50 0 GKAARO c1ccc(C(c2ccccc2)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000023253784 207272106 /nfs/dbraw/zinc/27/21/06/207272106.db2.gz VSTCSMUXEJYQGW-UHFFFAOYSA-N 1 0 392.546 5.747 50 0 GKAARO Cc1ccc(C(=O)C2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c(C)c1 ZINC000026644503 207318326 /nfs/dbraw/zinc/31/83/26/207318326.db2.gz JWERXJLLKFTSNG-INIZCTEOSA-N 1 0 395.528 5.071 50 0 GKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000028287845 207338712 /nfs/dbraw/zinc/33/87/12/207338712.db2.gz WGIZCNSDUJYBGO-IBGZPJMESA-N 1 0 396.556 5.458 50 0 GKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](CC(C)C)c1c[nH]c2ccccc21 ZINC000097954623 208364104 /nfs/dbraw/zinc/36/41/04/208364104.db2.gz RQVCIEZGRPJWLG-UXHICEINSA-N 1 0 385.596 5.314 50 0 GKAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000021146237 210378670 /nfs/dbraw/zinc/37/86/70/210378670.db2.gz QYONLKBSSKOKJS-GJZGRUSLSA-N 1 0 392.330 5.198 50 0 GKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@H](C)c2cccs2)Cc2ccccc2)cc1 ZINC000002361148 208503553 /nfs/dbraw/zinc/50/35/53/208503553.db2.gz OOFXWIXJTQANAL-OFNKIYASSA-N 1 0 393.596 6.603 50 0 GKAARO Clc1ccccc1-c1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000020477450 210339511 /nfs/dbraw/zinc/33/95/11/210339511.db2.gz JWUYGBINTFBOSK-UHFFFAOYSA-N 1 0 380.919 5.354 50 0 GKAARO CC[C@H]1CCCC[N@@H+]1CCCNc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329736 210329480 /nfs/dbraw/zinc/32/94/80/210329480.db2.gz MMXBNQCPKCGOGK-KRWDZBQOSA-N 1 0 399.926 5.005 50 0 GKAARO Fc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(F)c1 ZINC000020166518 210323115 /nfs/dbraw/zinc/32/31/15/210323115.db2.gz FXHQJZNHNXASDA-CQSZACIVSA-N 1 0 389.396 5.013 50 0 GKAARO CC(C)(C)[NH+]1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019802396 210297673 /nfs/dbraw/zinc/29/76/73/210297673.db2.gz BEIMITMVQGQSKU-LJQANCHMSA-N 1 0 386.992 5.505 50 0 GKAARO C[C@H]1C[NH+](CCCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000020166886 208806974 /nfs/dbraw/zinc/80/69/74/208806974.db2.gz CCOLCOPPEFRFIM-SFTDATJTSA-N 1 0 381.560 5.281 50 0 GKAARO Fc1ccc(COc2ccccc2C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000003388252 220638876 /nfs/dbraw/zinc/63/88/76/220638876.db2.gz MOQCUBDQEXVTJA-UHFFFAOYSA-N 1 0 397.493 6.284 50 0 GKAARO COc1ccc(C[NH2+]CC[C@]2(CCC(C)C)CCO[C@H](C(C)C)C2)cc1OC ZINC000004064995 220676628 /nfs/dbraw/zinc/67/66/28/220676628.db2.gz YCXDERKKAKONGI-BJKOFHAPSA-N 1 0 391.596 5.441 50 0 biogenic GKAARO CCc1ccc(NC(=S)N(CCC[NH+]2CCCCCC2)Cc2ccco2)cc1 ZINC000004193355 220691817 /nfs/dbraw/zinc/69/18/17/220691817.db2.gz GXBNLUFPPSLGQL-UHFFFAOYSA-N 1 0 399.604 5.307 50 0 GKAARO CC1CC[NH+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000004309413 220702870 /nfs/dbraw/zinc/70/28/70/220702870.db2.gz RILSXAOQULQQMZ-KRWDZBQOSA-N 1 0 391.342 5.194 50 0 GKAARO CC1(C)C[C@](CC[NH2+]Cc2cccs2)(Cc2ccccc2Cl)CCO1 ZINC000005478568 220874418 /nfs/dbraw/zinc/87/44/18/220874418.db2.gz RPTHCMDGOHIXSX-NRFANRHFSA-N 1 0 377.981 5.699 50 0 GKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccccc2F)c2ccc(F)cc2)cc1 ZINC000005499537 220876168 /nfs/dbraw/zinc/87/61/68/220876168.db2.gz SFKPIGJAYLXUKA-XMMPIXPASA-N 1 0 395.493 6.064 50 0 GKAARO COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccccc1Cl ZINC000007525192 221000903 /nfs/dbraw/zinc/00/09/03/221000903.db2.gz KZPQESIDHQHUPH-UHFFFAOYSA-N 1 0 381.903 5.526 50 0 GKAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000008863057 221061667 /nfs/dbraw/zinc/06/16/67/221061667.db2.gz HJNQYIKLYITOGQ-SFHVURJKSA-N 1 0 396.478 5.114 50 0 GKAARO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000008428717 221041172 /nfs/dbraw/zinc/04/11/72/221041172.db2.gz SVJWHGLGCSAXSF-GOSISDBHSA-N 1 0 387.914 6.044 50 0 GKAARO COc1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c2ccccc12 ZINC000011839043 221130460 /nfs/dbraw/zinc/13/04/60/221130460.db2.gz BPFWDHSYOCIYLU-INIZCTEOSA-N 1 0 389.474 5.332 50 0 GKAARO O=C1CC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3)CC[C@@H]2N1CC1CCCCC1 ZINC000011870077 221133474 /nfs/dbraw/zinc/13/34/74/221133474.db2.gz UJQAVEYAHPUVQE-RPBOFIJWSA-N 1 0 390.571 5.233 50 0 GKAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000011934263 221138228 /nfs/dbraw/zinc/13/82/28/221138228.db2.gz NBGOVIVPRQQPBO-GOSISDBHSA-N 1 0 387.955 5.138 50 0 GKAARO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012437517 221193789 /nfs/dbraw/zinc/19/37/89/221193789.db2.gz VVEFBIZFDJSTDE-QHCPKHFHSA-N 1 0 399.542 5.145 50 0 GKAARO C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000012915393 221245717 /nfs/dbraw/zinc/24/57/17/221245717.db2.gz KHIVLOKLTVAYNO-INIZCTEOSA-N 1 0 398.428 5.809 50 0 GKAARO c1ccc([C@H](CNc2ncnc3sc4c(c32)CCCCC4)[NH+]2CCCC2)cc1 ZINC000013097093 221260133 /nfs/dbraw/zinc/26/01/33/221260133.db2.gz SEIQFZBMBGETAZ-IBGZPJMESA-N 1 0 392.572 5.209 50 0 GKAARO C[C@@H]([NH2+]C1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1)c1cccs1 ZINC000014975958 221323422 /nfs/dbraw/zinc/32/34/22/221323422.db2.gz UXFLUEVVRPGOIT-QGZVFWFLSA-N 1 0 397.588 5.196 50 0 GKAARO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000014949534 221318655 /nfs/dbraw/zinc/31/86/55/221318655.db2.gz ODTJYSNXBLICBV-LJQANCHMSA-N 1 0 398.547 5.039 50 0 GKAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000014959168 221320383 /nfs/dbraw/zinc/32/03/83/221320383.db2.gz OEPBULLRAAFDIX-NRFANRHFSA-N 1 0 382.523 5.198 50 0 GKAARO CCOc1ccc(C[N@@H+](Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)CC(C)C)cc1 ZINC000015862359 221350085 /nfs/dbraw/zinc/35/00/85/221350085.db2.gz SYGQUEDZCMURPJ-UHFFFAOYSA-N 1 0 392.543 5.202 50 0 GKAARO Fc1ccc(N2CC[NH+](Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)cc1 ZINC000055543479 132446321 /nfs/dbraw/zinc/44/63/21/132446321.db2.gz MAUQLILDNWECCE-UHFFFAOYSA-N 1 0 396.893 5.594 50 0 GKAARO C[NH+]1CCN(c2ccc3c(c2)SCc2ccccc2[C@H]3c2ccccc2)CC1 ZINC000004115697 136193640 /nfs/dbraw/zinc/19/36/40/136193640.db2.gz BVXCCSFQDANQEN-RUZDIDTESA-N 1 0 386.564 5.224 50 0 GKAARO CC[N@H+](Cc1ccccc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000054991932 222014810 /nfs/dbraw/zinc/01/48/10/222014810.db2.gz WFUFWYSHMPCTJL-UHFFFAOYSA-N 1 0 376.466 5.192 50 0 GKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000055131930 222016380 /nfs/dbraw/zinc/01/63/80/222016380.db2.gz BAIAFFXZSZEFCE-UHFFFAOYSA-N 1 0 381.907 5.016 50 0 GKAARO c1c(C[NH2+][C@H]2CCCc3ccccc32)c(-c2cccnc2)nn1-c1ccccc1 ZINC000058082399 222038929 /nfs/dbraw/zinc/03/89/29/222038929.db2.gz MPEARHYUFMLBBB-DEOSSOPVSA-N 1 0 380.495 5.102 50 0 GKAARO CC[N@H+](Cc1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)cc1)C(C)C ZINC000058244779 222047071 /nfs/dbraw/zinc/04/70/71/222047071.db2.gz DIWSNMHXHYKRJM-QHCPKHFHSA-N 1 0 376.500 5.029 50 0 GKAARO C[C@H](C[N@@H+]1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1)c1ccccc1 ZINC000067540750 222147980 /nfs/dbraw/zinc/14/79/80/222147980.db2.gz GCFGPHZMOXBKTO-MRXNPFEDSA-N 1 0 394.902 5.106 50 0 GKAARO Oc1cc(-c2cccc3c2Sc2ccccc2S3)cc2c1OCC[NH2+]C2 ZINC000067675351 222153904 /nfs/dbraw/zinc/15/39/04/222153904.db2.gz HYQYHGPABOLAPL-UHFFFAOYSA-N 1 0 379.506 5.157 50 0 GKAARO Cc1ccsc1-c1nc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(C)o1 ZINC000067756025 222158198 /nfs/dbraw/zinc/15/81/98/222158198.db2.gz OGDSYYSWRILXTN-UHFFFAOYSA-N 1 0 392.528 5.276 50 0 GKAARO CC(C)n1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000086048536 222325437 /nfs/dbraw/zinc/32/54/37/222325437.db2.gz CHQXFFYLIHZIHP-UHFFFAOYSA-N 1 0 396.922 5.119 50 0 GKAARO Cc1ccc(C)c(Oc2cccc(Cl)c2C[NH2+]C2CCS(=O)CC2)c1C ZINC000095940824 222361294 /nfs/dbraw/zinc/36/12/94/222361294.db2.gz DEMTUUPFAYKZDI-UHFFFAOYSA-N 1 0 391.964 5.058 50 0 GKAARO Cc1ccc(C)c([C@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000096183718 222396778 /nfs/dbraw/zinc/39/67/78/222396778.db2.gz ZMAFSSRCWXFGEV-VWLOTQADSA-N 1 0 399.538 5.243 50 0 GKAARO CN(C(=O)OC(C)(C)C)C1CCC([NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000097455250 222442733 /nfs/dbraw/zinc/44/27/33/222442733.db2.gz RJSOJAALCCJCNJ-UHFFFAOYSA-N 1 0 395.547 5.016 50 0 GKAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(n2nccc2NC(=O)C2CCCC2)CC1 ZINC000012763012 519418866 /nfs/dbraw/zinc/41/88/66/519418866.db2.gz PQQSODSHSPUXBC-LJQANCHMSA-N 1 0 386.584 5.031 50 0 GKAARO CCCCOC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(C(=O)OC)cc23)cc1 ZINC000005808059 520725369 /nfs/dbraw/zinc/72/53/69/520725369.db2.gz TXASJQWCGABPTQ-UHFFFAOYSA-N 1 0 392.455 5.030 50 0 GKAARO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC000000756650 524124515 /nfs/dbraw/zinc/12/45/15/524124515.db2.gz KRLZFEOCONDAIE-UHFFFAOYSA-N 1 0 380.919 5.539 50 0 GKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccccc4)CC3)ccc21 ZINC000019805707 570220607 /nfs/dbraw/zinc/22/06/07/570220607.db2.gz ZIKJLFILVMIKRK-UHFFFAOYSA-N 1 0 383.539 5.132 50 0 GKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)noc1-c1ccc(C(C)(C)C)cc1 ZINC000022625836 570222340 /nfs/dbraw/zinc/22/23/40/570222340.db2.gz GEYCTDNQODIVIY-QGZVFWFLSA-N 1 0 399.579 5.188 50 0 GKAARO CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)CN1CCCCC1 ZINC000000849820 570226573 /nfs/dbraw/zinc/22/65/73/570226573.db2.gz QZINAKTUAROPKI-UHFFFAOYSA-N 1 0 390.599 5.274 50 0 GKAARO c1csc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1 ZINC000012185733 570229560 /nfs/dbraw/zinc/22/95/60/570229560.db2.gz PZGGVQZFKNEXNR-SFHVURJKSA-N 1 0 382.485 5.249 50 0 GKAARO CCc1cccc(CC)c1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020030410 570236339 /nfs/dbraw/zinc/23/63/39/570236339.db2.gz OANJNOTYEXPFGF-UHFFFAOYSA-N 1 0 398.550 5.622 50 0 GKAARO OC(C[NH2+]Cc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365331 570253385 /nfs/dbraw/zinc/25/33/85/570253385.db2.gz YYMLNKVPZVEHPN-UHFFFAOYSA-N 1 0 390.285 5.158 50 0 GKAARO O[C@](C[NH2+]Cc1ccc(Cl)cc1Cl)(c1ccccc1)c1ccc(F)cc1 ZINC000020365961 570253435 /nfs/dbraw/zinc/25/34/35/570253435.db2.gz IIIMYUBGOIQKHP-OAQYLSRUSA-N 1 0 390.285 5.158 50 0 GKAARO Cc1cc(O)c(-c2ccc([C@@H](C)C[NH+](C)C)cc2)c2c3ccsc3c(=O)[nH]c12 ZINC000149881647 570253688 /nfs/dbraw/zinc/25/36/88/570253688.db2.gz XCFRUAOZMVFDPQ-AWEZNQCLSA-N 1 0 392.524 5.089 50 0 in-vitro GKAARO Cc1cccc(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)c1C ZINC000001226249 570259248 /nfs/dbraw/zinc/25/92/48/570259248.db2.gz AKGVOEWUXFQISV-UHFFFAOYSA-N 1 0 386.539 5.205 50 0 GKAARO CCC[NH+]1CCC(N(C(=O)C2CC2)c2ccc3[nH]c(C(C)(C)C)cc3c2)CC1 ZINC000001501476 570264322 /nfs/dbraw/zinc/26/43/22/570264322.db2.gz AGFHYSYGDYLCBE-UHFFFAOYSA-N 1 0 381.564 5.083 50 0 GKAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000002180638 570277524 /nfs/dbraw/zinc/27/75/24/570277524.db2.gz ZSYNVNGIZNPTJT-LJQANCHMSA-N 1 0 395.587 5.959 50 0 GKAARO C[NH+](C)Cc1ccccc1S[C@@H]1c2ccccc2CSc2ccccc21 ZINC000002193153 570278475 /nfs/dbraw/zinc/27/84/75/570278475.db2.gz HOPWSGWZUAXAKD-HSZRJFAPSA-N 1 0 377.578 6.236 50 0 GKAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035277598 570280546 /nfs/dbraw/zinc/28/05/46/570280546.db2.gz SKHIUGOCIGKCSJ-HOTGVXAUSA-N 1 0 389.524 5.228 50 0 GKAARO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035277603 570280558 /nfs/dbraw/zinc/28/05/58/570280558.db2.gz SKHIUGOCIGKCSJ-CVEARBPZSA-N 1 0 389.524 5.228 50 0 GKAARO Fc1ccccc1C[NH2+]CC[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000002302528 570281850 /nfs/dbraw/zinc/28/18/50/570281850.db2.gz ONZSYNDJBXBYAM-HXUWFJFHSA-N 1 0 377.459 5.061 50 0 GKAARO COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1 ZINC000020907480 570284167 /nfs/dbraw/zinc/28/41/67/570284167.db2.gz TWIHFUGPPGEEDD-SFHVURJKSA-N 1 0 381.907 5.118 50 0 GKAARO CCc1ccc(-[n+]2c(-c3ccc(-c4ccccc4)cc3)cn3c2CCCCC3)cc1 ZINC000002385245 570285419 /nfs/dbraw/zinc/28/54/19/570285419.db2.gz MXNKRQCWNWFXQN-UHFFFAOYSA-N 1 0 393.554 6.388 50 0 GKAARO CN(C(=O)OCc1ccccc1)[C@H](CC[NH+]1CCCC1)c1ccccc1Cl ZINC000002580963 570291323 /nfs/dbraw/zinc/29/13/23/570291323.db2.gz HFKBWYUKRSNBLT-OAQYLSRUSA-N 1 0 386.923 5.136 50 0 GKAARO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012918791 570293502 /nfs/dbraw/zinc/29/35/02/570293502.db2.gz VXDCRVJCAPDWCZ-UWVGGRQHSA-N 1 0 376.831 5.098 50 0 GKAARO C(=C1NC2(CCCC2)Cc2ccccc21)C1=[NH+]C2(CCCC2)Cc2ccccc21 ZINC000100122441 570297285 /nfs/dbraw/zinc/29/72/85/570297285.db2.gz MFORPTCQGVHPKK-ULJHMMPZSA-N 1 0 382.551 5.844 50 0 GKAARO c1csc([C@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)c2c[nH]c3ccccc32)c1 ZINC000021841241 570297475 /nfs/dbraw/zinc/29/74/75/570297475.db2.gz SLRIDANPKXPUFV-JOCHJYFZSA-N 1 0 398.535 5.337 50 0 GKAARO Cc1ccc(C(=O)N2C[C@H](C[N@@H+](C)C3CCCCC3)[C@H](c3ccccc3)C2)cc1 ZINC000034697638 570298724 /nfs/dbraw/zinc/29/87/24/570298724.db2.gz XWJLQGMZKSNDGA-ZCYQVOJMSA-N 1 0 390.571 5.115 50 0 GKAARO Cc1cccc(C(=O)N(c2ccc(C)c(F)c2)C2CC[NH+](CCC(C)C)CC2)c1 ZINC000034682748 570300652 /nfs/dbraw/zinc/30/06/52/570300652.db2.gz SSUXPKABYUQNNI-UHFFFAOYSA-N 1 0 396.550 5.600 50 0 GKAARO CC(C)CCOc1ccc([C@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000725752 570306740 /nfs/dbraw/zinc/30/67/40/570306740.db2.gz BVFZXSGNFKRJJA-RPBOFIJWSA-N 1 0 381.560 5.415 50 0 GKAARO COc1ccc(C[N@H+](CCc2ccccc2)Cc2ccccc2)c2ccccc12 ZINC000002893775 570317464 /nfs/dbraw/zinc/31/74/64/570317464.db2.gz CWTBQKFYOZWWMK-UHFFFAOYSA-N 1 0 381.519 6.093 50 0 GKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)o1 ZINC000002928679 570318508 /nfs/dbraw/zinc/31/85/08/570318508.db2.gz YRWJTBVNRYFAAG-UZUQRXQVSA-N 1 0 381.947 6.677 50 0 GKAARO Fc1cccc(-c2ccc(C[NH2+]Cc3ccc(-c4cccc(F)c4)nc3)cn2)c1 ZINC000072233837 570319594 /nfs/dbraw/zinc/31/95/94/570319594.db2.gz FXZMOMRLMFVCRI-UHFFFAOYSA-N 1 0 387.433 5.379 50 0 GKAARO c1coc([C@@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)N2CCCC2)c1 ZINC000022804514 570329065 /nfs/dbraw/zinc/32/90/65/570329065.db2.gz OOOQUABSQNISHT-GOSISDBHSA-N 1 0 393.512 5.076 50 0 GKAARO Clc1ccc(SCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000003129133 570329732 /nfs/dbraw/zinc/32/97/32/570329732.db2.gz FTQUAVNUYAGVJH-UHFFFAOYSA-N 1 0 381.372 5.298 50 0 GKAARO OC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C1 ZINC000004851658 570347257 /nfs/dbraw/zinc/34/72/57/570347257.db2.gz XSLGPTMCZRXAJH-RCXJIHSJSA-N 1 0 383.535 5.191 50 0 GKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2Cl)N3)C1 ZINC000006256301 570350810 /nfs/dbraw/zinc/35/08/10/570350810.db2.gz OMGMONUGJNNFKV-MRXNPFEDSA-N 1 0 396.343 5.250 50 0 GKAARO CC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004011390 570354292 /nfs/dbraw/zinc/35/42/92/570354292.db2.gz JEKQPZGODPLINH-ROHNOIKCSA-N 1 0 375.487 5.515 50 0 GKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000004899035 570358694 /nfs/dbraw/zinc/35/86/94/570358694.db2.gz AOXXLSYBPYSIPW-NRFANRHFSA-N 1 0 395.934 5.086 50 0 GKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccc(F)c(F)c2)[C@H](C)C(C)C)c1 ZINC000004910164 570362809 /nfs/dbraw/zinc/36/28/09/570362809.db2.gz WMOLBJCSTOHAFT-HXUWFJFHSA-N 1 0 396.525 6.170 50 0 GKAARO Fc1ccc(Cn2cccc2C[N@H+](Cc2ccccc2F)C2CCCCC2)cc1 ZINC000004906757 570362888 /nfs/dbraw/zinc/36/28/88/570362888.db2.gz DBKJOZCNPNUORL-UHFFFAOYSA-N 1 0 394.509 6.150 50 0 GKAARO COc1ccc([C@@]2(CC[NH2+]Cc3ccc(Cl)cc3)CCOC(C)(C)C2)cc1 ZINC000004201329 570363133 /nfs/dbraw/zinc/36/31/33/570363133.db2.gz IFDGJYKFEZJLEA-QHCPKHFHSA-N 1 0 387.951 5.355 50 0 GKAARO O=C(Nc1ccc(Cl)cc1)N1CCC[N@H+](Cc2cccc3ccccc32)CC1 ZINC000004299580 570366185 /nfs/dbraw/zinc/36/61/85/570366185.db2.gz PGALTIGEKOLZJF-UHFFFAOYSA-N 1 0 393.918 5.233 50 0 GKAARO Cc1cc(N2CCN(c3nc4cc(Cl)ccc4s3)CC2)c2ccccc2[nH+]1 ZINC000004336357 570369489 /nfs/dbraw/zinc/36/94/89/570369489.db2.gz QHWLDFXFRCBDOJ-UHFFFAOYSA-N 1 0 394.931 5.133 50 0 GKAARO COC(=O)CC1=CC(SCc2c(F)cccc2Cl)=Nc2ccccc2N1 ZINC000035480693 570372611 /nfs/dbraw/zinc/37/26/11/570372611.db2.gz CAPFFTXJEJUOTM-UHFFFAOYSA-N 1 0 390.867 5.315 50 0 GKAARO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1ccccc1 ZINC000004413522 570374252 /nfs/dbraw/zinc/37/42/52/570374252.db2.gz AODJLRBXUJRQBO-UHFFFAOYSA-N 1 0 382.891 5.003 50 0 GKAARO COc1cccc([C@H](C[NH2+]Cc2ccsc2)c2c[nH]c3ccccc32)c1OC ZINC000023956475 570375828 /nfs/dbraw/zinc/37/58/28/570375828.db2.gz JEUUWDWBSKCDAR-IBGZPJMESA-N 1 0 392.524 5.168 50 0 GKAARO C[C@@H]1CSc2n1cc(-c1ccc(Cl)cc1)[n+]2-c1cccc(C(F)(F)F)c1 ZINC000004528485 570381976 /nfs/dbraw/zinc/38/19/76/570381976.db2.gz XTOOLRQNFKNPMY-GFCCVEGCSA-N 1 0 395.857 5.771 50 0 GKAARO Clc1ccc(OCC[NH2+]CCOc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000004603059 570386846 /nfs/dbraw/zinc/38/68/46/570386846.db2.gz XNYCJNBLGJYSSM-UHFFFAOYSA-N 1 0 395.113 5.348 50 0 GKAARO C[N@H+](CCOC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)Cc1ccccc1 ZINC000004603972 570386945 /nfs/dbraw/zinc/38/69/45/570386945.db2.gz RSCKSVIKLDQBOE-UHFFFAOYSA-N 1 0 381.560 5.570 50 0 GKAARO CCOc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCc1ccccc1 ZINC000004661539 570390480 /nfs/dbraw/zinc/39/04/80/570390480.db2.gz QYGPILBDWYCUGF-UHFFFAOYSA-N 1 0 382.891 5.003 50 0 GKAARO C/C(C=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)=C\c1ccco1 ZINC000012362167 570391366 /nfs/dbraw/zinc/39/13/66/570391366.db2.gz WHFAMSISRMUWAS-LZJPHLTDSA-N 1 0 383.495 5.056 50 0 GKAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000004725523 570398324 /nfs/dbraw/zinc/39/83/24/570398324.db2.gz UKQDUMCRTGDGFT-UHFFFAOYSA-N 1 0 398.978 5.381 50 0 GKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(F)cc2)(c2ccccc2OC)CCO1 ZINC000004821801 570408850 /nfs/dbraw/zinc/40/88/50/570408850.db2.gz JNPXRELHFXVHQB-BJKOFHAPSA-N 1 0 385.523 5.231 50 0 GKAARO Clc1ccc([C@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025426288 570413767 /nfs/dbraw/zinc/41/37/67/570413767.db2.gz SJUNBXNHZLULCE-XMSQKQJNSA-N 1 0 393.317 6.299 50 0 GKAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cc3ccccc3o2)cc1 ZINC000025521299 570415270 /nfs/dbraw/zinc/41/52/70/570415270.db2.gz NRNGKBXFDWJVMF-UHFFFAOYSA-N 1 0 384.479 5.091 50 0 GKAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000005092715 570415521 /nfs/dbraw/zinc/41/55/21/570415521.db2.gz VMJUUUFTNITBJO-DEOSSOPVSA-N 1 0 397.522 5.195 50 0 GKAARO Cc1cc(C)c(NC(=O)[C@H]2CCCC[N@@H+]2C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000004990161 570422055 /nfs/dbraw/zinc/42/20/55/570422055.db2.gz MQBHDIRQAAYOCS-APNVUFTPSA-N 1 0 380.576 5.374 50 0 GKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCc1cccnc1 ZINC000004999715 570422945 /nfs/dbraw/zinc/42/29/45/570422945.db2.gz RIZBFJNGKCTSLR-MRXNPFEDSA-N 1 0 382.891 5.173 50 0 GKAARO CC[NH+](CC)C/C=C/c1c(F)c(F)c(Oc2ccc(OC)cc2)c(F)c1F ZINC000005013660 570423876 /nfs/dbraw/zinc/42/38/76/570423876.db2.gz WQOQAHAPPWSXHX-VOTSOKGWSA-N 1 0 383.385 5.399 50 0 GKAARO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+]([C@H]1CC[C@@H](C)C1)CC2 ZINC000005033047 570425257 /nfs/dbraw/zinc/42/52/57/570425257.db2.gz ISLQETMKIRTGFE-VVWXKSFDSA-N 1 0 385.935 5.493 50 0 GKAARO Cc1ccc([C@H](CC[NH2+][C@@H](C)c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001801345 570425772 /nfs/dbraw/zinc/42/57/72/570425772.db2.gz GSDFCHVNBSMNQD-CUNXSJBXSA-N 1 0 387.567 6.655 50 0 biogenic GKAARO CCCC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000005152960 570428996 /nfs/dbraw/zinc/42/89/96/570428996.db2.gz YETVLGOGPIZJJH-RPBOFIJWSA-N 1 0 381.560 5.343 50 0 GKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)nc1 ZINC000005245623 570432360 /nfs/dbraw/zinc/43/23/60/570432360.db2.gz MWGJJDLLQRNXDN-INIZCTEOSA-N 1 0 382.891 5.173 50 0 GKAARO Cc1ccc([C@H](CC[NH2+]Cc2ccc(OC(C)(C)C)cc2)c2ccco2)cc1 ZINC000005156426 570434384 /nfs/dbraw/zinc/43/43/84/570434384.db2.gz FOIGLEVTAXEUKN-QHCPKHFHSA-N 1 0 377.528 6.077 50 0 GKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001827518 570436438 /nfs/dbraw/zinc/43/64/38/570436438.db2.gz KNARCFYMUDPYGK-RUZDIDTESA-N 1 0 393.958 6.439 50 0 biogenic GKAARO O=C(Cc1cccc2ccccc21)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662514 570438694 /nfs/dbraw/zinc/43/86/94/570438694.db2.gz LMWAHCDSSJNFIJ-JOCHJYFZSA-N 1 0 392.568 5.177 50 0 GKAARO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]2c2cccn2C)c1 ZINC000248103320 570440129 /nfs/dbraw/zinc/44/01/29/570440129.db2.gz FHVSZSPDDLNBLU-ZEQRLZLVSA-N 1 0 387.527 5.159 50 0 GKAARO CCCCCc1ccc(OCCCC[n+]2ccc(C)cc2C)c(CCCCC)c1 ZINC000005503152 570443594 /nfs/dbraw/zinc/44/35/94/570443594.db2.gz ABODKROJCSTGAG-UHFFFAOYSA-N 1 0 396.639 6.916 50 0 GKAARO CCc1ccc(-[n+]2c(-c3ccc(SC(F)F)cc3)cn3c2CCCCC3)cc1 ZINC000005569385 570446721 /nfs/dbraw/zinc/44/67/21/570446721.db2.gz LLLLVWULUZWSBE-UHFFFAOYSA-N 1 0 399.530 6.035 50 0 GKAARO CCCCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000027992050 570448623 /nfs/dbraw/zinc/44/86/23/570448623.db2.gz SZWUHCFOWSUHSM-XMMPIXPASA-N 1 0 394.559 5.131 50 0 GKAARO COc1ccc(C[NH2+]CC[C@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000001815758 570452765 /nfs/dbraw/zinc/45/27/65/570452765.db2.gz WLQFTMKJBMLBJR-RPBOFIJWSA-N 1 0 381.560 5.256 50 0 biogenic GKAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000028287606 570454712 /nfs/dbraw/zinc/45/47/12/570454712.db2.gz LTXZDERRMHHVPB-JOCHJYFZSA-N 1 0 390.527 5.315 50 0 GKAARO CC[NH+](CC)[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 ZINC000028292471 570456588 /nfs/dbraw/zinc/45/65/88/570456588.db2.gz BCLIWCKOQUFKCE-QGZVFWFLSA-N 1 0 386.948 5.368 50 0 GKAARO CCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)[NH+]1CCCCC1 ZINC000028291831 570456738 /nfs/dbraw/zinc/45/67/38/570456738.db2.gz SOSGZCHWTMXEPR-QHCPKHFHSA-N 1 0 394.559 5.166 50 0 GKAARO CCCCCC1CCC(c2ccc(NC(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000005860171 570459241 /nfs/dbraw/zinc/45/92/41/570459241.db2.gz GASYZCJUNCTUGD-UHFFFAOYSA-N 1 0 385.596 5.758 50 0 GKAARO Cc1ccc(Cn2cccc2C[N@H+](Cc2ccccc2C)C2CCCCC2)cc1 ZINC000035841072 570463265 /nfs/dbraw/zinc/46/32/65/570463265.db2.gz GAINSHFXEMEFBC-UHFFFAOYSA-N 1 0 386.583 6.488 50 0 GKAARO Cc1ccc(C[N@@H+](Cc2cccn2Cc2ccccc2F)[C@@H](C)C(C)C)cc1 ZINC000035841049 570463477 /nfs/dbraw/zinc/46/34/77/570463477.db2.gz CJQPDOVXRRIHAT-NRFANRHFSA-N 1 0 378.535 6.031 50 0 GKAARO Cc1ccccc1Cn1cccc1C[N@H+](Cc1cccc(F)c1)[C@H](C)C(C)C ZINC000035841112 570463833 /nfs/dbraw/zinc/46/38/33/570463833.db2.gz OGGLOOZTDZOEEG-OAQYLSRUSA-N 1 0 378.535 6.031 50 0 GKAARO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1Cl ZINC000035843763 570464226 /nfs/dbraw/zinc/46/42/26/570464226.db2.gz DDIPKABAKIZGKQ-UHFFFAOYSA-N 1 0 398.953 6.377 50 0 GKAARO COc1ccc2[nH+]c(C)cc(N3CCC[C@H]3c3nc4ccccc4s3)c2c1 ZINC000006558773 570477301 /nfs/dbraw/zinc/47/73/01/570477301.db2.gz DVXRUHDGQZVFTR-IBGZPJMESA-N 1 0 375.497 5.503 50 0 GKAARO CC1(C)C[C@](CC[NH2+]Cc2ccccn2)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000006661602 570486551 /nfs/dbraw/zinc/48/65/51/570486551.db2.gz AXTVNRGUZVFZIU-OAQYLSRUSA-N 1 0 392.465 5.107 50 0 GKAARO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000006671917 570487654 /nfs/dbraw/zinc/48/76/54/570487654.db2.gz USZQPZNWYGRSFR-UHFFFAOYSA-N 1 0 384.523 5.394 50 0 GKAARO COc1ccc(C[C@@H]2[NH2+][C@@H]3CCC[C@@H]3c3c4cc(C)ccc4[nH]c32)cc1OC ZINC000033904626 570498243 /nfs/dbraw/zinc/49/82/43/570498243.db2.gz JNYYQFDMPWHXSD-HQRMLTQVSA-N 1 0 376.500 5.017 50 0 GKAARO CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007080029 570500617 /nfs/dbraw/zinc/50/06/17/570500617.db2.gz IRZXCLGKGLMYTQ-IBGZPJMESA-N 1 0 380.532 5.204 50 0 GKAARO COc1ccc(C2([NH2+]Cc3nccn3Cc3ccccc3)CCCCCC2)cc1 ZINC000078797030 570509651 /nfs/dbraw/zinc/50/96/51/570509651.db2.gz ZIPBZNQDMLXPCJ-UHFFFAOYSA-N 1 0 389.543 5.279 50 0 GKAARO COCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000033018805 570518444 /nfs/dbraw/zinc/51/84/44/570518444.db2.gz WZYJIHWWDBAGCG-UHFFFAOYSA-N 1 0 393.527 5.182 50 0 GKAARO CCOC(=O)Cn1cc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c2ccccc21 ZINC000033087062 570519247 /nfs/dbraw/zinc/51/92/47/570519247.db2.gz SAZWKUDQMBYFJZ-OAQYLSRUSA-N 1 0 396.556 5.383 50 0 GKAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)s2)cc(OC)c1OC ZINC000033087280 570519891 /nfs/dbraw/zinc/51/98/91/570519891.db2.gz ALOIAWSCXZGKSN-QGZVFWFLSA-N 1 0 375.534 5.200 50 0 GKAARO Cc1c(C)n(-c2cc(F)cc(F)c2)c2ncnc(Nc3ccc(F)cc3C)c12 ZINC000032960493 570529103 /nfs/dbraw/zinc/52/91/03/570529103.db2.gz GEJJIXGRGXBZNA-UHFFFAOYSA-N 1 0 382.389 5.507 50 0 GKAARO Cc1c(C)n(-c2cccc(Cl)c2)c2ncnc(Nc3ccc(C)cc3C)c12 ZINC000032960524 570529145 /nfs/dbraw/zinc/52/91/45/570529145.db2.gz MYOATQUSNGUNGP-UHFFFAOYSA-N 1 0 376.891 6.051 50 0 GKAARO Cc1c(C)n(-c2cccc(Cl)c2)c2ncnc(Nc3cc(C)cc(C)c3)c12 ZINC000032960527 570529208 /nfs/dbraw/zinc/52/92/08/570529208.db2.gz YYGYTQGJANLAEX-UHFFFAOYSA-N 1 0 376.891 6.051 50 0 GKAARO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1OCc1ccccc1 ZINC000001193420 570535302 /nfs/dbraw/zinc/53/53/02/570535302.db2.gz DZEAWTMYCXLWJR-QHCPKHFHSA-N 1 0 388.511 5.396 50 0 GKAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)c1 ZINC000036103965 570540931 /nfs/dbraw/zinc/54/09/31/570540931.db2.gz PYJXMTMLEXFLSG-RUZDIDTESA-N 1 0 377.503 5.048 50 0 GKAARO c1n(C23CC4CC(CC(C4)C2)C3)c2ccccc2[n+]1C12CC3CC(CC(C3)C1)C2 ZINC000034573619 570541931 /nfs/dbraw/zinc/54/19/31/570541931.db2.gz GXJNIOOTRCOEHH-UHFFFAOYSA-N 1 0 387.591 5.779 50 0 GKAARO O[C@@H](c1ccc(Br)cc1)[C@@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000023550007 570541983 /nfs/dbraw/zinc/54/19/83/570541983.db2.gz QBTHZBCVENWEHX-SFTDATJTSA-N 1 0 388.349 5.142 50 0 GKAARO C[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000034896596 570547136 /nfs/dbraw/zinc/54/71/36/570547136.db2.gz XLHQGNYHSBLDPS-KUHUBIRLSA-N 1 0 377.315 5.405 50 0 GKAARO Cc1nn2c(nc(C(C)(C)C)cc2Nc2cc[nH+]cc2)c1-c1ccc(Cl)cc1 ZINC000005324834 570553977 /nfs/dbraw/zinc/55/39/77/570553977.db2.gz AALXLCOLQSXVLS-UHFFFAOYSA-N 1 0 391.906 5.794 50 0 GKAARO CCC[C@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744215 570564231 /nfs/dbraw/zinc/56/42/31/570564231.db2.gz VSKNFEHZNIYSTK-RPBOFIJWSA-N 1 0 381.560 5.343 50 0 GKAARO Cc1c(C[NH2+]Cc2cccnc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315519 570568257 /nfs/dbraw/zinc/56/82/57/570568257.db2.gz YPTWSCVUHJDLIU-UHFFFAOYSA-N 1 0 375.903 5.336 50 0 GKAARO CCCC(O)(CCC)c1ccc(C[N@@H+](Cc2ccccc2C)C[C@@H]2CCCO2)o1 ZINC000036203220 570568570 /nfs/dbraw/zinc/56/85/70/570568570.db2.gz KFKINKIBUOZBCC-QFIPXVFZSA-N 1 0 399.575 5.557 50 0 GKAARO Cc1ccc(-c2csc3[nH]c(C[N@@H+](C)C4CCCCC4)nc(=O)c23)c(C)c1 ZINC000036204108 570569071 /nfs/dbraw/zinc/56/90/71/570569071.db2.gz QCLUNFGFCTUANP-UHFFFAOYSA-N 1 0 381.545 5.033 50 0 GKAARO Brc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccccc1 ZINC000010436503 570570845 /nfs/dbraw/zinc/57/08/45/570570845.db2.gz SGXPCBPYRYPHTC-UHFFFAOYSA-N 1 0 382.301 5.318 50 0 GKAARO Cc1c([C@H](C)[NH2+]Cc2cc3ccccc3[nH]2)cnn1-c1cccc2ccccc21 ZINC000011818698 570585525 /nfs/dbraw/zinc/58/55/25/570585525.db2.gz DTTCOOARSDUCBZ-KRWDZBQOSA-N 1 0 380.495 5.666 50 0 GKAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccsc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000011844515 570588280 /nfs/dbraw/zinc/58/82/80/570588280.db2.gz JNPWAIOYSXVXRU-IBGZPJMESA-N 1 0 390.552 5.057 50 0 GKAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000011911679 570592187 /nfs/dbraw/zinc/59/21/87/570592187.db2.gz CXLZTINPHLPYFT-PDGUBNMISA-N 1 0 391.490 5.117 50 0 GKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@@H](C)c2cccs2)c2ccc(F)cc2)cc1 ZINC000005477860 570607648 /nfs/dbraw/zinc/60/76/48/570607648.db2.gz KKPWRIIPPOACPR-FDDCHVKYSA-N 1 0 397.559 6.547 50 0 GKAARO C[C@H]([NH2+]CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)c1cccs1 ZINC000005478113 570608205 /nfs/dbraw/zinc/60/82/05/570608205.db2.gz QVQRRMIYBOJUJA-HTAPYJJXSA-N 1 0 392.008 6.260 50 0 GKAARO Cc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1C1(CC[NH+](C)CC1)O2 ZINC000005478249 570608227 /nfs/dbraw/zinc/60/82/27/570608227.db2.gz WRNFDPOIEKBYKA-DEOSSOPVSA-N 1 0 397.522 5.114 50 0 GKAARO CC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005478457 570608563 /nfs/dbraw/zinc/60/85/63/570608563.db2.gz JGIRVNFRZIMTDY-OAQYLSRUSA-N 1 0 395.934 5.004 50 0 GKAARO COc1ccc([C@H](CC[NH2+]Cc2ccc(OC)c(OC)c2)CCC(C)C)cc1 ZINC000005478739 570609108 /nfs/dbraw/zinc/60/91/08/570609108.db2.gz MTCSBQUPURGFIT-NRFANRHFSA-N 1 0 385.548 5.412 50 0 GKAARO c1cc(-c2nc3cc4c(cc3cc2C[NH2+]C2CCCCCC2)OCO4)cs1 ZINC000012132889 570614014 /nfs/dbraw/zinc/61/40/14/570614014.db2.gz JITPMAVYXJBXHZ-UHFFFAOYSA-N 1 0 380.513 5.504 50 0 GKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc1 ZINC000005500134 570614665 /nfs/dbraw/zinc/61/46/65/570614665.db2.gz VKNDOFXTCCPRML-XMMPIXPASA-N 1 0 379.475 5.155 50 0 GKAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000012193152 570622411 /nfs/dbraw/zinc/62/24/11/570622411.db2.gz BVRUKSMTZUIYQH-QGZVFWFLSA-N 1 0 382.426 5.060 50 0 GKAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000043083292 570625624 /nfs/dbraw/zinc/62/56/24/570625624.db2.gz FMSKBXOZPSNOHZ-SFHVURJKSA-N 1 0 381.907 5.118 50 0 GKAARO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000036347743 570630274 /nfs/dbraw/zinc/63/02/74/570630274.db2.gz VPERQPWXAKWMGP-VWLOTQADSA-N 1 0 390.527 5.281 50 0 GKAARO CC(C)(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2F)cc1 ZINC000036347834 570630396 /nfs/dbraw/zinc/63/03/96/570630396.db2.gz HDZWNJFHYLRPNQ-XMMPIXPASA-N 1 0 376.519 5.920 50 0 GKAARO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)C)cc2)cc1O ZINC000036348743 570630745 /nfs/dbraw/zinc/63/07/45/570630745.db2.gz BFHWLBGYRBCKBG-VWLOTQADSA-N 1 0 390.527 5.321 50 0 GKAARO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000036348020 570630976 /nfs/dbraw/zinc/63/09/76/570630976.db2.gz NHVWSCYTHXKTHZ-AREMUKBSSA-N 1 0 388.555 6.006 50 0 GKAARO C=C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000136611925 570631602 /nfs/dbraw/zinc/63/16/02/570631602.db2.gz AQAGPBXWLXHMCE-AVRWGWEMSA-N 1 0 379.544 5.749 50 0 GKAARO CSc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)c1 ZINC000012298920 570634829 /nfs/dbraw/zinc/63/48/29/570634829.db2.gz MCLJYVMLFASZFL-HXUWFJFHSA-N 1 0 385.483 5.040 50 0 GKAARO O=C(CCC1CC[NH+](Cc2c[nH]nc2C2CCCCC2)CC1)Nc1ccccc1 ZINC000012301852 570636305 /nfs/dbraw/zinc/63/63/05/570636305.db2.gz UZXLGTPSABWGFO-UHFFFAOYSA-N 1 0 394.563 5.088 50 0 GKAARO CC1=C(CC[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)C(C)(C)CCC1 ZINC000012303729 570637535 /nfs/dbraw/zinc/63/75/35/570637535.db2.gz NUAWPIGFRFZYAU-UHFFFAOYSA-N 1 0 397.607 5.107 50 0 GKAARO CC[C@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1)c1ccncc1 ZINC000012305044 570638158 /nfs/dbraw/zinc/63/81/58/570638158.db2.gz JBXLFRFEWNLODG-VWLOTQADSA-N 1 0 396.538 5.792 50 0 GKAARO COc1cccc(OC[C@@H]2CCC[N@H+](Cc3nc(-c4ccsc4)oc3C)C2)c1 ZINC000012387202 570651791 /nfs/dbraw/zinc/65/17/91/570651791.db2.gz ZXYOUCOCVSIOHK-QGZVFWFLSA-N 1 0 398.528 5.011 50 0 GKAARO O=C(CCC1CC[NH+](CCCC(F)(F)F)CC1)Nc1ccccc1Cl ZINC000012430882 570659209 /nfs/dbraw/zinc/65/92/09/570659209.db2.gz ADQAZQQTURHZMY-UHFFFAOYSA-N 1 0 376.850 5.113 50 0 GKAARO COc1cccc(NC(=O)CCC2CC[NH+](Cc3cccc(SC)c3)CC2)c1 ZINC000012455345 570669254 /nfs/dbraw/zinc/66/92/54/570669254.db2.gz AKDCQWUBIDLMIK-UHFFFAOYSA-N 1 0 398.572 5.048 50 0 GKAARO CCCC[n+]1c(C)c2ccc(C=C3Sc4ccccc4N3C)ccc-2c1C ZINC000685944307 570675225 /nfs/dbraw/zinc/67/52/25/570675225.db2.gz JODJOBFRILBLKP-UHFFFAOYSA-N 1 0 375.561 6.068 50 0 GKAARO CCCCCOc1ccc(C(=O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004349362 570681078 /nfs/dbraw/zinc/68/10/78/570681078.db2.gz UYYFNPNLNGPCIY-XMMPIXPASA-N 1 0 379.544 5.708 50 0 GKAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]Cc1cccs1 ZINC000012582884 570684526 /nfs/dbraw/zinc/68/45/26/570684526.db2.gz VDTKDTFLSJTAQH-UHFFFAOYSA-N 1 0 395.478 5.477 50 0 GKAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000012586800 570685515 /nfs/dbraw/zinc/68/55/15/570685515.db2.gz SJNYHXZYHUBYLG-LJQANCHMSA-N 1 0 382.529 5.404 50 0 GKAARO COc1cccc(-c2nc3cc(F)ccc3cc2C[NH2+]Cc2cccs2)c1 ZINC000055326737 570691244 /nfs/dbraw/zinc/69/12/44/570691244.db2.gz LERGAIADTMNLQO-UHFFFAOYSA-N 1 0 378.472 5.401 50 0 GKAARO CC1CCC(c2ccc(C(C)(C)C)cc2)([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004623509 570700807 /nfs/dbraw/zinc/70/08/07/570700807.db2.gz HTTXQTLWMFWYHL-UHFFFAOYSA-N 1 0 390.615 6.212 50 0 GKAARO C[C@H](C[NH+](Cc1ccccc1)Cc1ccccc1)OC(=O)c1cccc(F)c1 ZINC000057541831 570702874 /nfs/dbraw/zinc/70/28/74/570702874.db2.gz VWLBHWSWWBMUDY-LJQANCHMSA-N 1 0 377.459 5.073 50 0 GKAARO O=C(Nc1ccccc1C(F)(F)F)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012714870 570703660 /nfs/dbraw/zinc/70/36/60/570703660.db2.gz IHMINOLINKNHKQ-HNNXBMFYSA-N 1 0 383.458 5.014 50 0 GKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(C)ccc3C)=NN12 ZINC000004363535 570710723 /nfs/dbraw/zinc/71/07/23/570710723.db2.gz KFAIPMIBGPPAHE-HSZRJFAPSA-N 1 0 389.543 5.049 50 0 GKAARO Fc1ccc(-c2noc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4Cl)C3)n2)cc1 ZINC000058159771 570712285 /nfs/dbraw/zinc/71/22/85/570712285.db2.gz ZOGQHDBNDLQAPA-OAHLLOKOSA-N 1 0 389.833 5.048 50 0 GKAARO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1Cl ZINC000058165225 570713394 /nfs/dbraw/zinc/71/33/94/570713394.db2.gz NFNOCFNSONOQNX-HNNXBMFYSA-N 1 0 382.866 5.185 50 0 GKAARO COc1cccc([C@@H]2C[NH2+][C@@]3(CCC[C@@H](C)C3)c3[nH]c4ccccc4c32)c1OC ZINC000006935449 570714128 /nfs/dbraw/zinc/71/41/28/570714128.db2.gz XPSNBHFIESOOFX-IYJATWDHSA-N 1 0 390.527 5.326 50 0 GKAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000012455630 570732607 /nfs/dbraw/zinc/73/26/07/570732607.db2.gz YUXUUYSKCHFPRX-NRFANRHFSA-N 1 0 390.527 5.266 50 0 GKAARO CCCCN(CC)c1ccc(C(=O)Nc2ccccc2C[NH+]2CCCC2)cc1 ZINC000058441104 570734000 /nfs/dbraw/zinc/73/40/00/570734000.db2.gz WJXQXRPGFFNLIS-UHFFFAOYSA-N 1 0 379.548 5.161 50 0 GKAARO Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)[NH+]4CCCCCC4)cc3)sc2c1 ZINC000013041661 570743561 /nfs/dbraw/zinc/74/35/61/570743561.db2.gz OEHSLRMGTRHWON-KRWDZBQOSA-N 1 0 393.556 5.475 50 0 GKAARO CCc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccc(Cl)cc2)ccc1O ZINC000036614396 570758471 /nfs/dbraw/zinc/75/84/71/570758471.db2.gz INNVAFCCUUWNAL-JRFVFWCSSA-N 1 0 399.962 5.476 50 0 GKAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1Cl ZINC000013786127 570790224 /nfs/dbraw/zinc/79/02/24/570790224.db2.gz BEWVWNGYSGPFME-BEDYVLDCSA-N 1 0 391.942 5.726 50 0 GKAARO CCc1cccc(OCC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000036719049 570801058 /nfs/dbraw/zinc/80/10/58/570801058.db2.gz IMUMILKOSQWARS-UHFFFAOYSA-N 1 0 380.532 5.031 50 0 GKAARO C[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000004668304 570814488 /nfs/dbraw/zinc/81/44/88/570814488.db2.gz FKTQWQHUUZIQEN-BEFAXECRSA-N 1 0 380.001 5.012 50 0 GKAARO COc1cccc(-c2c[nH+]c(NCc3cccc(Oc4ccccc4)c3)n2C)c1 ZINC000004678358 570824125 /nfs/dbraw/zinc/82/41/25/570824125.db2.gz YKVVONUWMNXTMZ-UHFFFAOYSA-N 1 0 385.467 5.500 50 0 GKAARO COCCn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1ccccc1Cl ZINC000004678964 570825452 /nfs/dbraw/zinc/82/54/52/570825452.db2.gz JZDGAIYMNVUEGJ-UHFFFAOYSA-N 1 0 376.287 5.115 50 0 GKAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+][C@@H](C)c1cccnc1 ZINC000012522506 570829065 /nfs/dbraw/zinc/82/90/65/570829065.db2.gz WMQJQDOQSVGHTJ-ZDUSSCGKSA-N 1 0 389.330 5.101 50 0 GKAARO COc1ccccc1[C@H](C)[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000032825419 570839254 /nfs/dbraw/zinc/83/92/54/570839254.db2.gz PMYOQHOBGHLUKE-ZDUSSCGKSA-N 1 0 381.303 5.024 50 0 GKAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000004700298 570844027 /nfs/dbraw/zinc/84/40/27/570844027.db2.gz KTGCWSNZAORFKD-UHFFFAOYSA-N 1 0 378.560 5.071 50 0 GKAARO CC(C)n1c2ccccc2nc1[C@H](C)[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000170591536 570849424 /nfs/dbraw/zinc/84/94/24/570849424.db2.gz NBAABOUCCWNHHT-SFHVURJKSA-N 1 0 394.538 5.072 50 0 GKAARO COc1ccc(C[N@H+](C)[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC ZINC000003336713 570858419 /nfs/dbraw/zinc/85/84/19/570858419.db2.gz GVMYQVTYOKRTOH-QHCPKHFHSA-N 1 0 381.903 5.579 50 0 GKAARO CC[C@]1(C)C[C@](CC[NH2+][C@H](C)c2ccc(Cl)cc2)(CCC(C)C)CCO1 ZINC000102761573 570863269 /nfs/dbraw/zinc/86/32/69/570863269.db2.gz OVJXVHHKPLUBEK-PTUXOGIPSA-N 1 0 380.016 6.782 50 0 GKAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+](CC1CC1)C[C@@H]1CCCO1 ZINC000014953557 570865550 /nfs/dbraw/zinc/86/55/50/570865550.db2.gz XGOKGAMYHJFVJL-SFHVURJKSA-N 1 0 394.437 5.060 50 0 GKAARO Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCc3ccccn3)c(C)o2)s1 ZINC000014979109 570869190 /nfs/dbraw/zinc/86/91/90/570869190.db2.gz ZRBIVJHCSZAPKH-LJQANCHMSA-N 1 0 381.545 5.402 50 0 GKAARO CC(=O)c1cccc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)c1 ZINC000015061623 570874072 /nfs/dbraw/zinc/87/40/72/570874072.db2.gz DITIHUCFGROQBL-JOCHJYFZSA-N 1 0 391.490 5.017 50 0 GKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2c(Cl)cccc2Cl)N3)C1 ZINC000004554059 570880630 /nfs/dbraw/zinc/88/06/30/570880630.db2.gz ZQRDBJYKDHZHEK-INIZCTEOSA-N 1 0 396.343 5.250 50 0 GKAARO Cc1cccc(CN2CCCN(Cc3ccc(F)cc3)[C@H]2c2cccc(F)c2)c1 ZINC000103623904 570887398 /nfs/dbraw/zinc/88/73/98/570887398.db2.gz FZEDWRHWDFUZCG-RUZDIDTESA-N 1 0 392.493 5.680 50 0 GKAARO Fc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000015581249 570897955 /nfs/dbraw/zinc/89/79/55/570897955.db2.gz VWHHWZFQEZRJOK-UHFFFAOYSA-N 1 0 375.422 5.107 50 0 GKAARO CCOc1ccc([C@@](O)(CC(C)C)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004584038 570916007 /nfs/dbraw/zinc/91/60/07/570916007.db2.gz LZPLVFVRKBPIGV-UIOOFZCWSA-N 1 0 395.587 5.589 50 0 GKAARO FC(F)(F)c1cc(NCC2([NH+]3CCCCC3)CCCCC2)c2ccccc2n1 ZINC000089866640 570917803 /nfs/dbraw/zinc/91/78/03/570917803.db2.gz MRTMOESKFMISGZ-UHFFFAOYSA-N 1 0 391.481 5.854 50 0 GKAARO Cc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CC[NH+](C(C)C)CC2)cc1 ZINC000051329992 570923806 /nfs/dbraw/zinc/92/38/06/570923806.db2.gz QRKHRSFRLGQSPJ-QHCPKHFHSA-N 1 0 389.543 5.047 50 0 GKAARO CC(C)CC[C@]1(CC[NH2+]Cc2ccc(OC(C)C)cc2)CCO[C@H](C(C)C)C1 ZINC000004073204 570929814 /nfs/dbraw/zinc/92/98/14/570929814.db2.gz ZMTXXFIESDXAOJ-DQEYMECFSA-N 1 0 389.624 6.211 50 0 biogenic GKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC(C)C)cc2)(CCC(C)C)CCO1 ZINC000004073319 570930278 /nfs/dbraw/zinc/93/02/78/570930278.db2.gz ZTDVYEQPAGWHGG-JWQCQUIFSA-N 1 0 389.624 6.355 50 0 biogenic GKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(OC(C)C)cc2)(CCC(C)C)CCO1 ZINC000004073318 570930366 /nfs/dbraw/zinc/93/03/66/570930366.db2.gz ZTDVYEQPAGWHGG-DQEYMECFSA-N 1 0 389.624 6.355 50 0 biogenic GKAARO C[C@H]1CCC[N@H+](CCCCOc2ccc3ccccc3c2Br)C1 ZINC000002822120 570933206 /nfs/dbraw/zinc/93/32/06/570933206.db2.gz GUTDENZXJUCIJA-INIZCTEOSA-N 1 0 376.338 5.493 50 0 GKAARO Cc1ccc(Cl)cc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025764576 570957858 /nfs/dbraw/zinc/95/78/58/570957858.db2.gz PONXRMGVTPIOHU-UHFFFAOYSA-N 1 0 376.931 5.560 50 0 GKAARO COc1ccc(CNc2ccc3c(c2)[nH+]c(C)n3Cc2ccccc2)cc1OC ZINC000004813002 570999071 /nfs/dbraw/zinc/99/90/71/570999071.db2.gz GSTJQOQCRBOHDY-UHFFFAOYSA-N 1 0 387.483 5.022 50 0 GKAARO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012750572 571003234 /nfs/dbraw/zinc/00/32/34/571003234.db2.gz SKHIUGOCIGKCSJ-HZPDHXFCSA-N 1 0 389.524 5.228 50 0 GKAARO Cc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037522262 571023461 /nfs/dbraw/zinc/02/34/61/571023461.db2.gz SPMJZACFXJTMAR-JOCHJYFZSA-N 1 0 384.445 5.811 50 0 GKAARO Cc1ccc(C(=O)N(c2cccc(C)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000037559445 571031368 /nfs/dbraw/zinc/03/13/68/571031368.db2.gz QFRRXDSFFKAGNS-UHFFFAOYSA-N 1 0 398.550 5.615 50 0 GKAARO CCCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000037560074 571031847 /nfs/dbraw/zinc/03/18/47/571031847.db2.gz UYKDECBHYCMDJM-UHFFFAOYSA-N 1 0 384.951 5.446 50 0 GKAARO CCCC(=O)N(c1ccc(CC)cc1)C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000037587699 571034862 /nfs/dbraw/zinc/03/48/62/571034862.db2.gz PAZKIRCTAFVEPO-UHFFFAOYSA-N 1 0 394.559 5.055 50 0 GKAARO c1ccc(C(NCC[NH2+]C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000019371887 210246410 /nfs/dbraw/zinc/24/64/10/210246410.db2.gz DTZDSNQYNPNCPK-UHFFFAOYSA-N 1 0 392.546 5.745 50 0 in-vitro GKAARO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(C2CCCCC2)cc1 ZINC000015523720 210158079 /nfs/dbraw/zinc/15/80/79/210158079.db2.gz IKIXOUBZTDMOMF-RUZDIDTESA-N 1 0 389.543 5.229 50 0 GKAARO CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000014969367 210137021 /nfs/dbraw/zinc/13/70/21/210137021.db2.gz PNZXBMCTFUFPLR-UHFFFAOYSA-N 1 0 393.527 5.727 50 0 in-vitro GKAARO CC(C)OCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000013721580 210084848 /nfs/dbraw/zinc/08/48/48/210084848.db2.gz FWFAPEHRACUGLX-UHFFFAOYSA-N 1 0 382.331 5.477 50 0 GKAARO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000012991589 210042736 /nfs/dbraw/zinc/04/27/36/210042736.db2.gz VEPJAGKAQYWCKQ-HSZRJFAPSA-N 1 0 394.559 5.376 50 0 GKAARO