smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCOc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 ZINC000000537813 570438429 /nfs/dbraw/zinc/43/84/29/570438429.db2.gz TXOKWXJQVFUUDD-UHFFFAOYSA-N 1 0 360.910 5.337 50 0 in-man FKAARO C[NH+](C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000538507 524055578 /nfs/dbraw/zinc/05/55/78/524055578.db2.gz XSCGXQMFQXDFCW-UHFFFAOYSA-N 1 0 352.425 5.260 50 0 world FKAARO C[C@@](OCC[NH+]1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000000601258 571174393 /nfs/dbraw/zinc/17/43/93/571174393.db2.gz VBSPHZOBAOWFCL-JOCHJYFZSA-N 1 0 357.925 5.496 50 0 in-man FKAARO CCOC(=O)c1c2c(cc3sc(C)c(C)[n+]31)-c1cccc3cccc-2c13 ZINC000000629049 219306493 /nfs/dbraw/zinc/30/64/93/219306493.db2.gz WQTOALHKQQODPI-UHFFFAOYSA-N 1 0 360.458 5.081 50 0 FKAARO Cc1sc(NC(=O)c2ccc(F)cc2)c(C[NH+]2CCCCCC2)c1C ZINC000000630414 567916485 /nfs/dbraw/zinc/91/64/85/567916485.db2.gz NIUUWDFMVWJKAN-UHFFFAOYSA-N 1 0 360.498 5.132 50 0 aggregator FKAARO C[NH+](C)CCNc1cc(-c2cc(Cl)ccc2Cl)nc2ccccc21 ZINC000000632869 219306433 /nfs/dbraw/zinc/30/64/33/219306433.db2.gz LVIDLUGZHKSPFV-UHFFFAOYSA-N 1 0 360.288 5.182 50 0 FKAARO CCOc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCCCC3)cc1 ZINC000000637251 210255239 /nfs/dbraw/zinc/25/52/39/210255239.db2.gz SDZIEGXLEWGDPN-UHFFFAOYSA-N 1 0 367.900 5.210 50 0 FKAARO CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cc(Cl)ccc1OC ZINC000000645463 567997491 /nfs/dbraw/zinc/99/74/91/567997491.db2.gz DRUFPTILTGVHAK-UHFFFAOYSA-N 1 0 370.836 5.126 50 0 FKAARO C[NH+]1CCC(Oc2ccccc2Sc2ccccc2C(F)(F)F)CC1 ZINC000000702111 206130398 /nfs/dbraw/zinc/13/03/98/206130398.db2.gz DPBGOHFPUVYOPM-UHFFFAOYSA-N 1 0 367.436 5.330 50 0 FKAARO Clc1ccc2c(c1)[C@H](O[C@H]1C[NH+]3CCC1CC3)c1ccccc1CS2 ZINC000000702160 210262628 /nfs/dbraw/zinc/26/26/28/210262628.db2.gz BMQGWQJMFCYXPU-PZJWPPBQSA-N 1 0 371.933 5.146 50 0 FKAARO Clc1ccc2c(c1)[C@@H](O[C@@H]1C[NH+]3CCC1CC3)c1ccccc1CS2 ZINC000000702161 219314044 /nfs/dbraw/zinc/31/40/44/219314044.db2.gz BMQGWQJMFCYXPU-CTNGQTDRSA-N 1 0 371.933 5.146 50 0 FKAARO Clc1ccc2c(c1)[C@H](O[C@@H]1C[NH+]3CCC1CC3)c1ccccc1CS2 ZINC000000702162 219314556 /nfs/dbraw/zinc/31/45/56/219314556.db2.gz BMQGWQJMFCYXPU-TZIWHRDSSA-N 1 0 371.933 5.146 50 0 FKAARO COc1ccc(C2=C(C[NH+](C)C)[C@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000000708910 570451658 /nfs/dbraw/zinc/45/16/58/570451658.db2.gz DAOGNIPTKRWQJW-XMMPIXPASA-N 1 0 371.480 5.192 50 0 FKAARO COc1ccc(C2=C(C[NH+](C)C)[C@@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000000708911 219314943 /nfs/dbraw/zinc/31/49/43/219314943.db2.gz DAOGNIPTKRWQJW-DEOSSOPVSA-N 1 0 371.480 5.192 50 0 FKAARO C[NH+](C)CC/C=C1\c2ccccc2SCc2ccc(Br)cc21 ZINC000000717532 219316631 /nfs/dbraw/zinc/31/66/31/219316631.db2.gz CGXUBGROHJPBLT-FRKPEAEDSA-N 1 0 374.347 5.438 50 0 FKAARO C[NH+](C)CC/C=C1/c2ccccc2SCc2ccc(Br)cc21 ZINC000000717534 219316652 /nfs/dbraw/zinc/31/66/52/219316652.db2.gz CGXUBGROHJPBLT-APSNUPSMSA-N 1 0 374.347 5.438 50 0 FKAARO C[NH+](C)CC/C=C1/c2ccccc2Sc2ccc(N3CCCCC3)cc21 ZINC000000717549 568129790 /nfs/dbraw/zinc/12/97/90/568129790.db2.gz APMTYFLIVDYNSQ-GRSHGNNSSA-N 1 0 364.558 5.525 50 0 FKAARO C[NH+]1CCC(Oc2ccccc2Sc2ccc(C(F)(F)F)cc2)CC1 ZINC000000717628 210265147 /nfs/dbraw/zinc/26/51/47/210265147.db2.gz MPXWIWCJZHUHQR-UHFFFAOYSA-N 1 0 367.436 5.330 50 0 FKAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000000719389 209373890 /nfs/dbraw/zinc/37/38/90/209373890.db2.gz LBQXKGHTJBHROW-OAQYLSRUSA-N 1 0 372.434 6.070 50 0 FKAARO Cc1[nH]c2ccccc2c1[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000000719390 209374721 /nfs/dbraw/zinc/37/47/21/209374721.db2.gz LBQXKGHTJBHROW-NRFANRHFSA-N 1 0 372.434 6.070 50 0 FKAARO C[NH+](C)CC[C@H](Oc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000000726313 210265131 /nfs/dbraw/zinc/26/51/31/210265131.db2.gz DOLQMPKGEINGIB-QFIPXVFZSA-N 1 0 361.485 5.337 50 0 FKAARO C[NH+](C)CC[C@@H](Oc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000000726314 570453579 /nfs/dbraw/zinc/45/35/79/570453579.db2.gz DOLQMPKGEINGIB-JOCHJYFZSA-N 1 0 361.485 5.337 50 0 FKAARO N[C@H](c1ccc(Cl)cc1Cl)[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000000732112 219318145 /nfs/dbraw/zinc/31/81/45/219318145.db2.gz UXVDOQZLEYUGHO-ZIAGYGMSSA-N 1 0 350.076 5.000 50 0 FKAARO N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000000732113 570454092 /nfs/dbraw/zinc/45/40/92/570454092.db2.gz UXVDOQZLEYUGHO-KBPBESRZSA-N 1 0 350.076 5.000 50 0 FKAARO O=C(Nc1sc2c(c1C[NH+]1CCCCCC1)CCCC2)c1ccccc1 ZINC000000753455 570454910 /nfs/dbraw/zinc/45/49/10/570454910.db2.gz RLTHLZGRQJJFHO-UHFFFAOYSA-N 1 0 368.546 5.255 50 0 FKAARO Cc1cc(C)c(NC(=O)C[NH+](C2CCCCC2)C2CCCCC2)c(C)c1 ZINC000000754192 219317983 /nfs/dbraw/zinc/31/79/83/219317983.db2.gz KFNZMNUGOVTKGW-UHFFFAOYSA-N 1 0 356.554 5.518 50 0 FKAARO Fc1ccc(C2=CC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000000756600 570455265 /nfs/dbraw/zinc/45/52/65/570455265.db2.gz GGSUBEWMXXHWET-UHFFFAOYSA-N 1 0 367.851 6.028 50 0 FKAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000000756604 219319791 /nfs/dbraw/zinc/31/97/91/219319791.db2.gz KWQTXMAIRPMWQC-AWEZNQCLSA-N 1 0 358.407 5.176 50 0 FKAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000000756605 570455412 /nfs/dbraw/zinc/45/54/12/570455412.db2.gz KWQTXMAIRPMWQC-CQSZACIVSA-N 1 0 358.407 5.176 50 0 FKAARO CCOc1ccccc1N1CC[NH+](CCC2=C(C)CCCC2(C)C)CC1 ZINC000000756624 132378460 /nfs/dbraw/zinc/37/84/60/132378460.db2.gz OJSIABPYIQAQOS-UHFFFAOYSA-N 1 0 356.554 5.124 50 0 FKAARO Clc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCCC2)c1 ZINC000000756783 219319304 /nfs/dbraw/zinc/31/93/04/219319304.db2.gz SENZMBQKIJMWGH-UHFFFAOYSA-N 1 0 374.875 5.341 50 0 FKAARO Clc1cccc(N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 ZINC000000757088 132378421 /nfs/dbraw/zinc/37/84/21/132378421.db2.gz LOHULHGTJRAGCN-UHFFFAOYSA-N 1 0 354.925 5.188 50 0 FKAARO Clc1ccccc1N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000000757801 132378383 /nfs/dbraw/zinc/37/83/83/132378383.db2.gz XYVIHHVKDIFZAL-UHFFFAOYSA-N 1 0 354.925 5.188 50 0 FKAARO CCCn1c2ccccc2n2cc(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000000758212 219319154 /nfs/dbraw/zinc/31/91/54/219319154.db2.gz GQXYOOUDXDDLKF-UHFFFAOYSA-N 1 0 351.453 6.033 50 0 FKAARO COc1ccc2[nH]cc(CC[NH+](Cc3ccccc3)Cc3ccccc3)c2c1 ZINC000000771860 219319530 /nfs/dbraw/zinc/31/95/30/219319530.db2.gz ILKJXDOOSVTHSQ-UHFFFAOYSA-N 1 0 370.496 5.421 50 0 FKAARO c1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccnc2)cc1 ZINC000000806068 570457539 /nfs/dbraw/zinc/45/75/39/570457539.db2.gz GOMQVUARCRRAKN-UHFFFAOYSA-N 1 0 354.453 5.104 50 0 FKAARO CC(C)COc1ccc([C@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000822592 210276205 /nfs/dbraw/zinc/27/62/05/210276205.db2.gz ZWVOOYMMRUJKIY-ZEQRLZLVSA-N 1 0 367.533 5.025 50 0 FKAARO CC(C)COc1ccc([C@@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000822593 219327189 /nfs/dbraw/zinc/32/71/89/219327189.db2.gz ZWVOOYMMRUJKIY-BJKOFHAPSA-N 1 0 367.533 5.025 50 0 FKAARO CC(C)COc1ccc([C@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000822594 219326814 /nfs/dbraw/zinc/32/68/14/219326814.db2.gz ZWVOOYMMRUJKIY-RPWUZVMVSA-N 1 0 367.533 5.025 50 0 FKAARO CC(C)COc1ccc([C@@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000822595 210275284 /nfs/dbraw/zinc/27/52/84/210275284.db2.gz ZWVOOYMMRUJKIY-DNQXCXABSA-N 1 0 367.533 5.025 50 0 FKAARO Cc1ccc(C[NH+]2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 ZINC000000837046 203955334 /nfs/dbraw/zinc/95/53/34/203955334.db2.gz RSYCVESFMFLJAO-UHFFFAOYSA-N 1 0 365.908 5.418 50 0 FKAARO COc1ccccc1CNc1ccc2c(c1)[nH+]c(C)n2Cc1ccccc1 ZINC000000845781 219329526 /nfs/dbraw/zinc/32/95/26/219329526.db2.gz HWLTYJJBRFWXLN-UHFFFAOYSA-N 1 0 357.457 5.014 50 0 FKAARO Cc1[nH+]c2cc(NCc3ccc(Cl)cc3)ccc2n1Cc1ccccc1 ZINC000000845783 210278331 /nfs/dbraw/zinc/27/83/31/210278331.db2.gz OQUHEBWXJKNTMJ-UHFFFAOYSA-N 1 0 361.876 5.659 50 0 FKAARO CCc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCCC2)cc1 ZINC000000845934 570460206 /nfs/dbraw/zinc/46/02/06/570460206.db2.gz FJUVUZWJUFBKFH-UHFFFAOYSA-N 1 0 372.516 5.004 50 0 FKAARO Cc1ccc(-c2cn3c4ccccc4nc3n2CCC[NH+]2CCCCC2)cc1 ZINC000000858818 570461486 /nfs/dbraw/zinc/46/14/86/570461486.db2.gz NAHVROQHDZCVSB-UHFFFAOYSA-N 1 0 372.516 5.140 50 0 FKAARO C[N@H+](CCc1ccccn1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000000875276 570632307 /nfs/dbraw/zinc/63/23/07/570632307.db2.gz NGXPBIIGDXTUFZ-UHFFFAOYSA-N 1 0 354.538 5.057 50 0 FKAARO COc1ccc([C@]2(CC[NH2+][C@@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000000892479 219337758 /nfs/dbraw/zinc/33/77/58/219337758.db2.gz ILBAKKLPGWDQKA-YADARESESA-N 1 0 367.533 5.263 50 0 FKAARO COc1ccc([C@]2(CC[NH2+][C@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000000892481 571069357 /nfs/dbraw/zinc/06/93/57/571069357.db2.gz ILBAKKLPGWDQKA-NTKDMRAZSA-N 1 0 367.533 5.263 50 0 FKAARO COc1ccc([C@@]2(CC[NH2+][C@@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000000892482 571069271 /nfs/dbraw/zinc/06/92/71/571069271.db2.gz ILBAKKLPGWDQKA-CYFREDJKSA-N 1 0 367.533 5.263 50 0 FKAARO COc1ccc([C@@]2(CC[NH2+][C@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000000892483 210285719 /nfs/dbraw/zinc/28/57/19/210285719.db2.gz ILBAKKLPGWDQKA-DVECYGJZSA-N 1 0 367.533 5.263 50 0 FKAARO CC[NH+](CC)C[C@@H](O)COc1ccc(C(C)(C)CC)cc1C(C)(C)CC ZINC000000938373 219343913 /nfs/dbraw/zinc/34/39/13/219343913.db2.gz JRSYMOFRAZNFNG-LJQANCHMSA-N 1 0 363.586 5.143 50 0 FKAARO CC[NH+](CC)C[C@H](O)COc1ccc(C(C)(C)CC)cc1C(C)(C)CC ZINC000000938374 209382871 /nfs/dbraw/zinc/38/28/71/209382871.db2.gz JRSYMOFRAZNFNG-IBGZPJMESA-N 1 0 363.586 5.143 50 0 FKAARO CC1CC[NH+](Cc2c(NC(=O)c3ccccc3)sc3c2CCCC3)CC1 ZINC000000939381 571135000 /nfs/dbraw/zinc/13/50/00/571135000.db2.gz HPXJIKVBEKNVKV-UHFFFAOYSA-N 1 0 368.546 5.111 50 0 FKAARO Cc1cc(Nc2ccc(I)cc2)c2cccc(C)c2[nH+]1 ZINC000000946581 206143137 /nfs/dbraw/zinc/14/31/37/206143137.db2.gz QFIOEIIXLCONNE-UHFFFAOYSA-N 1 0 374.225 5.200 50 0 FKAARO Cc1ccc2[nH+]c3c(c(Nc4ccc(Br)cc4)c2c1)CCC3 ZINC000000947017 571138236 /nfs/dbraw/zinc/13/82/36/571138236.db2.gz MEMCODPLXZUUOL-UHFFFAOYSA-N 1 0 353.263 5.538 50 0 FKAARO O=C(Nc1sc2c(c1C[NH+]1CCCCC1)CCCC2)c1ccc(F)cc1 ZINC000000948455 570465602 /nfs/dbraw/zinc/46/56/02/570465602.db2.gz YQHCTLBIEIKPSC-UHFFFAOYSA-N 1 0 372.509 5.004 50 0 FKAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(Br)cc3)c2c1 ZINC000000949041 570465586 /nfs/dbraw/zinc/46/55/86/570465586.db2.gz MZVSIBXXRHWCLZ-UHFFFAOYSA-N 1 0 357.251 5.448 50 0 FKAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000000949571 209384977 /nfs/dbraw/zinc/38/49/77/209384977.db2.gz XCQMRNBEJUXIPB-UHFFFAOYSA-N 1 0 360.335 5.092 50 0 FKAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3cc(Cl)ccc3OC)c2c1 ZINC000000952825 570466124 /nfs/dbraw/zinc/46/61/24/570466124.db2.gz IXPCFQBQYIMWPM-UHFFFAOYSA-N 1 0 370.836 5.126 50 0 FKAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(Cl)c3C)c2c1 ZINC000000952827 570466202 /nfs/dbraw/zinc/46/62/02/570466202.db2.gz MIOWIWFNAJPKNA-UHFFFAOYSA-N 1 0 354.837 5.425 50 0 FKAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000000952833 210295435 /nfs/dbraw/zinc/29/54/35/210295435.db2.gz AEIOIMJJFMDCSH-UHFFFAOYSA-N 1 0 374.362 5.482 50 0 FKAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(C)c(Cl)c3)c2c1 ZINC000000952838 571140301 /nfs/dbraw/zinc/14/03/01/571140301.db2.gz WEFZICZZSWZEBP-UHFFFAOYSA-N 1 0 354.837 5.425 50 0 FKAARO CCn1c2ccccc2c2cc(C[NH2+][C@@H]3CCCc4ccccc43)ccc21 ZINC000000975552 570467403 /nfs/dbraw/zinc/46/74/03/570467403.db2.gz PUQGENRBXGZWDZ-HSZRJFAPSA-N 1 0 354.497 5.982 50 0 FKAARO CC(C)(C)[N@@H+]1C[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000001023955 571159875 /nfs/dbraw/zinc/15/98/75/571159875.db2.gz XMFSKUXGHWGRAM-DNQXCXABSA-N 1 0 369.508 6.008 50 0 FKAARO COc1ccc(CNc2ccc3c(c2)[nH+]c(C)n3Cc2ccccc2)cc1 ZINC000001085813 210314462 /nfs/dbraw/zinc/31/44/62/210314462.db2.gz HUWNOIRZPFPPJT-UHFFFAOYSA-N 1 0 357.457 5.014 50 0 FKAARO CCn1c2ccc(-c3ccc4ccccc4n3)cc2[n+](-c2ccccc2)c1C ZINC000001122214 210319186 /nfs/dbraw/zinc/31/91/86/210319186.db2.gz MZSZIXYTZHHCSB-UHFFFAOYSA-N 1 0 364.472 5.462 50 0 FKAARO Cc1ccc([C@@]2(CC[NH2+][C@@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000001177039 571165013 /nfs/dbraw/zinc/16/50/13/571165013.db2.gz XKIIMXKOMFCIEX-RDPSFJRHSA-N 1 0 351.534 5.563 50 0 FKAARO Cc1ccc([C@]2(CC[NH2+][C@@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000001177040 210330917 /nfs/dbraw/zinc/33/09/17/210330917.db2.gz XKIIMXKOMFCIEX-GBXCKJPGSA-N 1 0 351.534 5.563 50 0 FKAARO Cc1ccc([C@@]2(CC[NH2+][C@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000001177041 219385267 /nfs/dbraw/zinc/38/52/67/219385267.db2.gz XKIIMXKOMFCIEX-YKSBVNFPSA-N 1 0 351.534 5.563 50 0 FKAARO Cc1ccc([C@]2(CC[NH2+][C@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000001177042 210330798 /nfs/dbraw/zinc/33/07/98/210330798.db2.gz XKIIMXKOMFCIEX-HYBUGGRVSA-N 1 0 351.534 5.563 50 0 FKAARO C[N@H+](Cc1cccc(Oc2ccccc2)c1)Cc1cccc2ccccc21 ZINC000001225338 570495277 /nfs/dbraw/zinc/49/52/77/570495277.db2.gz LDUMPXXQKCCYJL-UHFFFAOYSA-N 1 0 353.465 6.264 50 0 FKAARO c1ccc(C[NH2+][C@H]2CCCc3c4cc(-c5ccccc5)ccc4[nH]c32)cc1 ZINC000001234005 210338027 /nfs/dbraw/zinc/33/80/27/210338027.db2.gz JGESULKOTYJLJR-DEOSSOPVSA-N 1 0 352.481 6.002 50 0 FKAARO c1ccc(C[NH2+][C@@H]2CCCc3c4cc(-c5ccccc5)ccc4[nH]c32)cc1 ZINC000001234006 571210361 /nfs/dbraw/zinc/21/03/61/571210361.db2.gz JGESULKOTYJLJR-XMMPIXPASA-N 1 0 352.481 6.002 50 0 FKAARO CCN(CC)C(=O)N1c2ccccc2C[C@H]([NH+](CC)CC)c2ccccc21 ZINC000001245579 210338991 /nfs/dbraw/zinc/33/89/91/210338991.db2.gz DUXONKOEFSZBRM-QFIPXVFZSA-N 1 0 365.521 5.226 50 0 FKAARO CCN(CC)C(=O)N1c2ccccc2C[C@@H]([NH+](CC)CC)c2ccccc21 ZINC000001245580 219393130 /nfs/dbraw/zinc/39/31/30/219393130.db2.gz DUXONKOEFSZBRM-JOCHJYFZSA-N 1 0 365.521 5.226 50 0 FKAARO Cc1ccc(-c2c[n+](-c3cccc(C(F)(F)F)c3)c3n2CCCCC3)cc1 ZINC000001248898 571044756 /nfs/dbraw/zinc/04/47/56/571044756.db2.gz JNFOQPZQQNIIJS-UHFFFAOYSA-N 1 0 371.426 5.485 50 0 FKAARO C[C@@H](Cc1c[nH]c2ccccc12)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000001272599 203997024 /nfs/dbraw/zinc/99/70/24/203997024.db2.gz AZJLBFWAQVIHIW-FQEVSTJZSA-N 1 0 354.497 5.801 50 0 FKAARO C[C@H](Cc1c[nH]c2ccccc12)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000001272600 571045921 /nfs/dbraw/zinc/04/59/21/571045921.db2.gz AZJLBFWAQVIHIW-HXUWFJFHSA-N 1 0 354.497 5.801 50 0 FKAARO COc1ccc([C@H](C)[NH2+]CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000001295474 209388069 /nfs/dbraw/zinc/38/80/69/209388069.db2.gz LYEDNWOKJZIYAU-YADARESESA-N 1 0 367.533 5.263 50 0 FKAARO COc1ccc([C@@H](C)[NH2+]CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000001295475 206146538 /nfs/dbraw/zinc/14/65/38/206146538.db2.gz LYEDNWOKJZIYAU-NTKDMRAZSA-N 1 0 367.533 5.263 50 0 FKAARO COc1ccc([C@H](C)[NH2+]CC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000001295476 206146554 /nfs/dbraw/zinc/14/65/54/206146554.db2.gz LYEDNWOKJZIYAU-CYFREDJKSA-N 1 0 367.533 5.263 50 0 FKAARO COc1ccc([C@@H](C)[NH2+]CC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000001295478 206146624 /nfs/dbraw/zinc/14/66/24/206146624.db2.gz LYEDNWOKJZIYAU-DVECYGJZSA-N 1 0 367.533 5.263 50 0 FKAARO C[C@@H]1C(c2ccccc2)=[N+](C)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000001302305 219393998 /nfs/dbraw/zinc/39/39/98/219393998.db2.gz CTWBZPZGQUGJLG-WDJPJFJCSA-N 1 0 368.500 5.051 50 0 FKAARO CC(C)CCOc1ccc(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001303199 210340728 /nfs/dbraw/zinc/34/07/28/210340728.db2.gz OZMPUUNMCBBTHH-QHCPKHFHSA-N 1 0 365.517 5.174 50 0 FKAARO CC(C)CCOc1ccc(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001303200 219394076 /nfs/dbraw/zinc/39/40/76/219394076.db2.gz OZMPUUNMCBBTHH-HSZRJFAPSA-N 1 0 365.517 5.174 50 0 FKAARO COc1ccccc1C1=C(C[NH+](C)C)[C@H](c2ccccc2)c2ccccc2O1 ZINC000001405934 203805412 /nfs/dbraw/zinc/80/54/12/203805412.db2.gz MKFBZZSGRVHBMK-XMMPIXPASA-N 1 0 371.480 5.192 50 0 FKAARO COc1ccccc1C1=C(C[NH+](C)C)[C@@H](c2ccccc2)c2ccccc2O1 ZINC000001405936 571062300 /nfs/dbraw/zinc/06/23/00/571062300.db2.gz MKFBZZSGRVHBMK-DEOSSOPVSA-N 1 0 371.480 5.192 50 0 FKAARO CCOC1=C(C[NH+]2CCCCC2)[C@@H](c2ccc(F)cc2)Oc2ccccc21 ZINC000001408493 571063484 /nfs/dbraw/zinc/06/34/84/571063484.db2.gz ZFAXCMNHJCCKQR-JOCHJYFZSA-N 1 0 367.464 5.193 50 0 FKAARO CCOC1=C(C[NH+]2CCCCC2)[C@H](c2ccc(F)cc2)Oc2ccccc21 ZINC000001408494 571063506 /nfs/dbraw/zinc/06/35/06/571063506.db2.gz ZFAXCMNHJCCKQR-QFIPXVFZSA-N 1 0 367.464 5.193 50 0 FKAARO Cc1cc(C)c2c(N)c(C3=[NH+]C4(CCCC4)Cc4ccccc43)sc2n1 ZINC000001425190 210351810 /nfs/dbraw/zinc/35/18/10/210351810.db2.gz MHSHTIONTBFVJT-UHFFFAOYSA-N 1 0 361.514 5.202 50 0 FKAARO CC(C)(C)c1cc([C@@H](c2ccccn2)[NH+]2CCCC2)cc(C(C)(C)C)c1O ZINC000001463340 571115155 /nfs/dbraw/zinc/11/51/55/571115155.db2.gz HFNOBFOCOZMYKF-NRFANRHFSA-N 1 0 366.549 5.567 50 0 FKAARO CC(C)(C)c1cc([C@H](c2ccccn2)[NH+]2CCCC2)cc(C(C)(C)C)c1O ZINC000001463341 204010136 /nfs/dbraw/zinc/01/01/36/204010136.db2.gz HFNOBFOCOZMYKF-OAQYLSRUSA-N 1 0 366.549 5.567 50 0 FKAARO FC(F)(F)c1cccc(-[n+]2cc(-c3ccccc3)n3c2CCCCC3)c1 ZINC000001468156 204009649 /nfs/dbraw/zinc/00/96/49/204009649.db2.gz JEYQQWQBRSUFSN-UHFFFAOYSA-N 1 0 357.399 5.177 50 0 FKAARO Cc1ccc(-[n+]2cc(-c3ccc(OC(F)F)cc3)n3c2CCCCC3)cc1 ZINC000001468175 210356779 /nfs/dbraw/zinc/35/67/79/210356779.db2.gz GHSFSPVACPVSSN-UHFFFAOYSA-N 1 0 369.435 5.068 50 0 FKAARO Clc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCCCC3)c(Cl)c1 ZINC000001497977 204011025 /nfs/dbraw/zinc/01/10/25/204011025.db2.gz PJYBUICYYNMFCO-UHFFFAOYSA-N 1 0 372.319 5.524 50 0 FKAARO CCC[NH+]1CCC(N(C(=O)CC)c2ccc3[nH]c(C(C)(C)C)cc3c2)CC1 ZINC000001501475 570501327 /nfs/dbraw/zinc/50/13/27/570501327.db2.gz WCQADWOVIZVRAH-UHFFFAOYSA-N 1 0 369.553 5.083 50 0 FKAARO CC(C)(C)c1cc2cc(NC3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC000001501477 210356529 /nfs/dbraw/zinc/35/65/29/210356529.db2.gz TVXUWRGZJXASNX-UHFFFAOYSA-N 1 0 361.533 5.542 50 0 FKAARO CC/C(=C(\c1ccccc1)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000001530689 210358571 /nfs/dbraw/zinc/35/85/71/210358571.db2.gz NKANXQFJJICGDU-QPLCGJKRSA-N 1 0 371.524 5.996 50 0 biogenic,fda FKAARO CC/C(=C(/c1ccccc1)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000001530690 204012122 /nfs/dbraw/zinc/01/21/22/204012122.db2.gz NKANXQFJJICGDU-OCEACIFDSA-N 1 0 371.524 5.996 50 0 investigational FKAARO CSc1ccc2c(c1)N(CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1S2 ZINC000001530695 132382103 /nfs/dbraw/zinc/38/21/03/132382103.db2.gz KLBQZWRITKRQQV-INIZCTEOSA-N 1 0 370.587 5.886 50 0 fda FKAARO CSc1ccc2c(c1)N(CC[C@H]1CCCC[N@@H+]1C)c1ccccc1S2 ZINC000001530697 132382204 /nfs/dbraw/zinc/38/22/04/132382204.db2.gz KLBQZWRITKRQQV-MRXNPFEDSA-N 1 0 370.587 5.886 50 0 fda FKAARO C[C@@H]([NH2+]CCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc21 ZINC000001550499 570501859 /nfs/dbraw/zinc/50/18/59/570501859.db2.gz VDHAWDNDOKGFTD-MRXNPFEDSA-N 1 0 357.419 6.142 50 0 fda FKAARO CC/C(=C(\c1ccccc1)c1ccc(OCC[NH2+]C)cc1)c1ccccc1 ZINC000001588900 571680911 /nfs/dbraw/zinc/68/09/11/571680911.db2.gz NYDCDZSEEAUOHN-IZHYLOQSSA-N 1 0 357.497 5.654 50 0 endogenous,world FKAARO CCN1C=C/C(=C\C=C\c2cc[n+](CC)c3ccccc23)c2ccccc21 ZINC000001666388 535438569 /nfs/dbraw/zinc/43/85/69/535438569.db2.gz TVRUNVZRBXNONE-UHFFFAOYSA-N 1 0 353.489 5.598 50 0 in-vitro FKAARO CCC[C@@]1(CN2c3ccccc3Sc3ccccc32)CC[N@H+](CC)C1 ZINC000001726494 132382437 /nfs/dbraw/zinc/38/24/37/132382437.db2.gz HVDVITZBAJESBC-JOCHJYFZSA-N 1 0 352.547 5.801 50 0 FKAARO Cc1ccc([C@]2(CC[NH2+][C@H](C)c3ccccc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000001759463 204018308 /nfs/dbraw/zinc/01/83/08/204018308.db2.gz NKGXTFCIHUTLTA-NQHRYMMQSA-N 1 0 365.561 5.809 50 0 FKAARO C[C@H](C[C@H](C)C(c1ccccc1)c1ccccc1)[NH2+]CCc1ccccc1 ZINC000001771831 206895356 /nfs/dbraw/zinc/89/53/56/206895356.db2.gz VZZPVBUNJLZTII-FCHUYYIVSA-N 1 0 357.541 6.066 50 0 FKAARO C[C@H](C[C@@H](C)C(c1ccccc1)c1ccccc1)[NH2+]CCc1ccccc1 ZINC000001771834 571192784 /nfs/dbraw/zinc/19/27/84/571192784.db2.gz VZZPVBUNJLZTII-FGZHOGPDSA-N 1 0 357.541 6.066 50 0 FKAARO C[C@@H](C[C@H](C)C(c1ccccc1)c1ccccc1)[NH2+]CCc1ccccc1 ZINC000001771836 571169293 /nfs/dbraw/zinc/16/92/93/571169293.db2.gz VZZPVBUNJLZTII-VXKWHMMOSA-N 1 0 357.541 6.066 50 0 FKAARO C[C@H](C[C@H](C)[NH2+]CCc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000001771839 210370456 /nfs/dbraw/zinc/37/04/56/210370456.db2.gz VZZPVBUNJLZTII-YADHBBJMSA-N 1 0 357.541 6.066 50 0 FKAARO C[C@H]([NH2+]CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000001791910 571193811 /nfs/dbraw/zinc/19/38/11/571193811.db2.gz GUYRJBUAYYRZRL-WWPVKYPJSA-N 1 0 351.534 5.716 50 0 FKAARO CC[NH+](CC)CCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000001807496 570508189 /nfs/dbraw/zinc/50/81/89/570508189.db2.gz SNXTZYJOMPIHKM-UHFFFAOYSA-N 1 0 368.912 5.094 50 0 biogenic,in-vitro FKAARO CC(C)(C)c1cc(C(=O)CCCC[NH+]2CCCCC2)cc(C(C)(C)C)c1O ZINC000001815918 206152637 /nfs/dbraw/zinc/15/26/37/206152637.db2.gz KKCQJGIEWROQSW-UHFFFAOYSA-N 1 0 373.581 5.826 50 0 FKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000001827991 571203788 /nfs/dbraw/zinc/20/37/88/571203788.db2.gz NVPKRIYJJSATHN-OAQYLSRUSA-N 1 0 369.505 5.122 50 0 FKAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000001827992 219419655 /nfs/dbraw/zinc/41/96/55/219419655.db2.gz NVPKRIYJJSATHN-NRFANRHFSA-N 1 0 369.505 5.122 50 0 FKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccccc2)c2ccccc2)cc1 ZINC000001831451 219420473 /nfs/dbraw/zinc/42/04/73/219420473.db2.gz MQORINLVPMKXGS-LVXARBLLSA-N 1 0 373.540 6.347 50 0 FKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@@H](C)c2ccccc2)c2ccccc2)cc1 ZINC000001831452 571197756 /nfs/dbraw/zinc/19/77/56/571197756.db2.gz MQORINLVPMKXGS-HFZDXXHNSA-N 1 0 373.540 6.347 50 0 FKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@H](C)c2ccccc2)c2ccccc2)cc1 ZINC000001831453 571197782 /nfs/dbraw/zinc/19/77/82/571197782.db2.gz MQORINLVPMKXGS-RLWLMLJZSA-N 1 0 373.540 6.347 50 0 FKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@H](C)c2ccccc2)c2ccccc2)cc1 ZINC000001831454 209393024 /nfs/dbraw/zinc/39/30/24/209393024.db2.gz MQORINLVPMKXGS-QFQXNSOFSA-N 1 0 373.540 6.347 50 0 FKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCOc1ccc(F)cc1 ZINC000001835540 204020922 /nfs/dbraw/zinc/02/09/22/204020922.db2.gz IBOYZSVLHCWLHP-NRFANRHFSA-N 1 0 352.453 5.052 50 0 FKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCOc1ccc(F)cc1 ZINC000001835541 204021125 /nfs/dbraw/zinc/02/11/25/204021125.db2.gz IBOYZSVLHCWLHP-OAQYLSRUSA-N 1 0 352.453 5.052 50 0 FKAARO C[C@H]([NH2+]CC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000001836234 209394448 /nfs/dbraw/zinc/39/44/48/209394448.db2.gz RWXOIELWFZDPDK-NKKJXINNSA-N 1 0 365.561 5.791 50 0 FKAARO c1ccc(CC[NH2+][C@H]2CCCc3c4cc(-c5ccccc5)ccc4[nH]c32)cc1 ZINC000001836358 204020527 /nfs/dbraw/zinc/02/05/27/204020527.db2.gz XNOLHKBBTGIIOM-VWLOTQADSA-N 1 0 366.508 6.045 50 0 FKAARO c1ccc(CC[NH2+][C@@H]2CCCc3c4cc(-c5ccccc5)ccc4[nH]c32)cc1 ZINC000001836359 570508615 /nfs/dbraw/zinc/50/86/15/570508615.db2.gz XNOLHKBBTGIIOM-RUZDIDTESA-N 1 0 366.508 6.045 50 0 FKAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000001837435 206152372 /nfs/dbraw/zinc/15/23/72/206152372.db2.gz JVBCOQSAKYKBSZ-VWLOTQADSA-N 1 0 359.513 5.786 50 0 FKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000001837436 571197783 /nfs/dbraw/zinc/19/77/83/571197783.db2.gz JVBCOQSAKYKBSZ-RUZDIDTESA-N 1 0 359.513 5.786 50 0 FKAARO c1ccc(N2CC[NH+](CCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000001866635 132252919 /nfs/dbraw/zinc/25/29/19/132252919.db2.gz IISXJCNRUSFNIM-UHFFFAOYSA-N 1 0 369.512 5.007 50 0 FKAARO N=C(Nc1ccc(CC[NH2+]Cc2cccc(Cl)c2)cc1)c1cccs1 ZINC000001895591 204022229 /nfs/dbraw/zinc/02/22/29/204022229.db2.gz ZZVGLDBDDYESAB-UHFFFAOYSA-N 1 0 369.921 5.171 50 0 in-vivo FKAARO CCC(C)(C)c1ccc(OCCCC[n+]2ccccc2)c(C(C)(C)CC)c1 ZINC000001923861 204022346 /nfs/dbraw/zinc/02/23/46/204022346.db2.gz HPGKJCFDLAZRAQ-UHFFFAOYSA-N 1 0 368.585 6.209 50 0 FKAARO C[C@](OCC[NH+]1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000002001312 210377273 /nfs/dbraw/zinc/37/72/73/210377273.db2.gz VBSPHZOBAOWFCL-QFIPXVFZSA-N 1 0 357.925 5.496 50 0 in-man FKAARO C[N@H+](CCc1c[nH]c2ccc(OCc3ccccc3)cc12)Cc1ccccc1 ZINC000002037694 570512014 /nfs/dbraw/zinc/51/20/14/570512014.db2.gz YYZWLIHUCDJTCJ-UHFFFAOYSA-N 1 0 370.496 5.421 50 0 FKAARO CCCCSc1ccc([C@H](SCC[NH+](C)C)c2ccccc2)cc1 ZINC000002040210 210377142 /nfs/dbraw/zinc/37/71/42/210377142.db2.gz IZLPZXSZLLELBJ-OAQYLSRUSA-N 1 0 359.604 5.963 50 0 world FKAARO CCCCSc1ccc([C@@H](SCC[NH+](C)C)c2ccccc2)cc1 ZINC000002040211 210375906 /nfs/dbraw/zinc/37/59/06/210375906.db2.gz IZLPZXSZLLELBJ-NRFANRHFSA-N 1 0 359.604 5.963 50 0 world FKAARO C[NH+](C)CCCS[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000002049805 204025472 /nfs/dbraw/zinc/02/54/72/204025472.db2.gz UGOTXSLCXOYVGG-IBGZPJMESA-N 1 0 363.979 5.773 50 0 FKAARO C[NH+](C)CCCS[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000002049806 570511856 /nfs/dbraw/zinc/51/18/56/570511856.db2.gz UGOTXSLCXOYVGG-LJQANCHMSA-N 1 0 363.979 5.773 50 0 FKAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1C(O)(C1CCCCC1)C1CCCCC1 ZINC000002077675 204026166 /nfs/dbraw/zinc/02/61/66/204026166.db2.gz CKNQGYBCGDCJJQ-CVDCTZTESA-N 1 0 355.566 5.714 50 0 FKAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1C(O)(C1CCCCC1)C1CCCCC1 ZINC000002077677 570513883 /nfs/dbraw/zinc/51/38/83/570513883.db2.gz CKNQGYBCGDCJJQ-WMZHIEFXSA-N 1 0 355.566 5.714 50 0 FKAARO Cc1c2nc3ccccc3nc2n([N@@H+](C)c2ccccc2)c1-c1ccccc1 ZINC000002077874 570513695 /nfs/dbraw/zinc/51/36/95/570513695.db2.gz DAJPYTBZKHTXJC-UHFFFAOYSA-N 1 0 364.452 5.459 50 0 FKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[NH2+]CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000002090692 571175189 /nfs/dbraw/zinc/17/51/89/571175189.db2.gz SAWPPQLIWVGNDH-XAJZJVRXSA-N 1 0 359.642 6.670 50 0 FKAARO Cc1ccc([C@@H](CC[NH2+]Cc2ccco2)c2ccc(OC(C)C)cc2)cc1 ZINC000002099536 209392948 /nfs/dbraw/zinc/39/29/48/209392948.db2.gz HUBOVUBOIUBELR-XMMPIXPASA-N 1 0 363.501 5.687 50 0 FKAARO Cc1ccc([C@H](CC[NH2+]Cc2ccco2)c2ccc(OC(C)C)cc2)cc1 ZINC000002099539 209394517 /nfs/dbraw/zinc/39/45/17/209394517.db2.gz HUBOVUBOIUBELR-DEOSSOPVSA-N 1 0 363.501 5.687 50 0 FKAARO COc1ccc(C[NH2+]CC[C@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1 ZINC000002101847 571276965 /nfs/dbraw/zinc/27/69/65/571276965.db2.gz DPBZJXPNBZVODK-DEOSSOPVSA-N 1 0 367.533 5.010 50 0 FKAARO COc1ccc(C[NH2+]CC[C@@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1 ZINC000002101849 571276982 /nfs/dbraw/zinc/27/69/82/571276982.db2.gz DPBZJXPNBZVODK-XMMPIXPASA-N 1 0 367.533 5.010 50 0 FKAARO CCC[C@@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CC[N@@H+]2C1 ZINC000002107672 209394524 /nfs/dbraw/zinc/39/45/24/209394524.db2.gz IESPCFYHXLJIEM-IBVKSMDESA-N 1 0 372.556 5.973 50 0 FKAARO CCC[C@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CC[N@@H+]2C1 ZINC000002111880 206152966 /nfs/dbraw/zinc/15/29/66/206152966.db2.gz IESPCFYHXLJIEM-FNZWTVRRSA-N 1 0 372.556 5.973 50 0 FKAARO COc1ccc(C[NH2+]CC[C@H](CCC(C)C)c2ccc3c(c2)OCO3)cc1 ZINC000002129754 206152108 /nfs/dbraw/zinc/15/21/08/206152108.db2.gz YFTWMEXXHMQNTA-IBGZPJMESA-N 1 0 369.505 5.124 50 0 FKAARO COc1ccc(C[NH2+]CC[C@@H](CCC(C)C)c2ccc3c(c2)OCO3)cc1 ZINC000002129755 571278896 /nfs/dbraw/zinc/27/88/96/571278896.db2.gz YFTWMEXXHMQNTA-LJQANCHMSA-N 1 0 369.505 5.124 50 0 FKAARO C[C@H]([NH2+]CC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)c1ccccc1 ZINC000002134464 571279388 /nfs/dbraw/zinc/27/93/88/571279388.db2.gz SFBCUWBQBAYOEK-RDPSFJRHSA-N 1 0 351.534 5.545 50 0 FKAARO C[C@@H]([NH2+]CC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)c1ccccc1 ZINC000002134465 571279435 /nfs/dbraw/zinc/27/94/35/571279435.db2.gz SFBCUWBQBAYOEK-YKSBVNFPSA-N 1 0 351.534 5.545 50 0 FKAARO C[C@H]([NH2+]CC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)c1ccccc1 ZINC000002134467 571279389 /nfs/dbraw/zinc/27/93/89/571279389.db2.gz SFBCUWBQBAYOEK-GBXCKJPGSA-N 1 0 351.534 5.545 50 0 FKAARO C[C@@H]([NH2+]CC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)c1ccccc1 ZINC000002134469 209394333 /nfs/dbraw/zinc/39/43/33/209394333.db2.gz SFBCUWBQBAYOEK-HYBUGGRVSA-N 1 0 351.534 5.545 50 0 FKAARO COc1ccccc1[C@]1(CC[NH2+][C@@H](C)c2ccccc2)CCOC(C)(C)C1 ZINC000002151564 206152481 /nfs/dbraw/zinc/15/24/81/206152481.db2.gz KPEPVCCCQXCJGC-YADARESESA-N 1 0 367.533 5.263 50 0 FKAARO COc1ccccc1[C@@]1(CC[NH2+][C@@H](C)c2ccccc2)CCOC(C)(C)C1 ZINC000002151566 206152591 /nfs/dbraw/zinc/15/25/91/206152591.db2.gz KPEPVCCCQXCJGC-CYFREDJKSA-N 1 0 367.533 5.263 50 0 FKAARO Cn1c2ccccc2c2cc([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)ccc21 ZINC000002157365 206152169 /nfs/dbraw/zinc/15/21/69/206152169.db2.gz GUAKGRVMBBQTAZ-QHCPKHFHSA-N 1 0 351.453 5.048 50 0 FKAARO Cn1c2ccccc2c2cc([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)ccc21 ZINC000002157368 209393978 /nfs/dbraw/zinc/39/39/78/209393978.db2.gz GUAKGRVMBBQTAZ-HSZRJFAPSA-N 1 0 351.453 5.048 50 0 FKAARO CCCCC[NH+](CCCCC)[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000002162187 204026901 /nfs/dbraw/zinc/02/69/01/204026901.db2.gz QJUCMOPLCNJRMU-RUZDIDTESA-N 1 0 367.577 6.392 50 0 FKAARO CCCCC[NH+](CCCCC)[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000002162189 204026839 /nfs/dbraw/zinc/02/68/39/204026839.db2.gz QJUCMOPLCNJRMU-VWLOTQADSA-N 1 0 367.577 6.392 50 0 FKAARO CCC[C@]1(CN2c3ccccc3Sc3ccccc32)CC[N@H+](CC)C1 ZINC000002168118 132382682 /nfs/dbraw/zinc/38/26/82/132382682.db2.gz HVDVITZBAJESBC-QFIPXVFZSA-N 1 0 352.547 5.801 50 0 FKAARO COc1ccc2[nH]c(C)c(CC[NH2+]CCC3=C(C)CCCC3(C)C)c2c1 ZINC000002192299 571283335 /nfs/dbraw/zinc/28/33/35/571283335.db2.gz SPDZJFFIYJXAGX-UHFFFAOYSA-N 1 0 354.538 5.534 50 0 FKAARO Clc1ccc([C@H](CC[NH2+]Cc2ccccn2)Cc2ccccc2)cc1 ZINC000002216378 210385476 /nfs/dbraw/zinc/38/54/76/210385476.db2.gz NHZCBGAYEWCYOL-HXUWFJFHSA-N 1 0 350.893 5.241 50 0 FKAARO Clc1ccc([C@@H](CC[NH2+]Cc2ccccn2)Cc2ccccc2)cc1 ZINC000002216380 210384522 /nfs/dbraw/zinc/38/45/22/210384522.db2.gz NHZCBGAYEWCYOL-FQEVSTJZSA-N 1 0 350.893 5.241 50 0 FKAARO Cc1ccc([C@@]2(CC[NH2+]Cc3ccccc3F)CCO[C@@H](C(C)C)C2)cc1 ZINC000002217983 263145049 /nfs/dbraw/zinc/14/50/49/263145049.db2.gz LXQCJRFOFVFPAV-RPWUZVMVSA-N 1 0 369.524 5.387 50 0 FKAARO Cc1ccc([C@]2(CC[NH2+]Cc3ccccc3F)CCO[C@@H](C(C)C)C2)cc1 ZINC000002217986 210384889 /nfs/dbraw/zinc/38/48/89/210384889.db2.gz LXQCJRFOFVFPAV-DNQXCXABSA-N 1 0 369.524 5.387 50 0 FKAARO Cc1ccc([C@@]2(CC[NH2+]Cc3ccccc3F)CCO[C@H](C(C)C)C2)cc1 ZINC000002217988 263145101 /nfs/dbraw/zinc/14/51/01/263145101.db2.gz LXQCJRFOFVFPAV-ZEQRLZLVSA-N 1 0 369.524 5.387 50 0 FKAARO Cc1ccc([C@]2(CC[NH2+]Cc3ccccc3F)CCO[C@H](C(C)C)C2)cc1 ZINC000002217989 263145045 /nfs/dbraw/zinc/14/50/45/263145045.db2.gz LXQCJRFOFVFPAV-BJKOFHAPSA-N 1 0 369.524 5.387 50 0 FKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)C(C)C)cc1 ZINC000002232726 209396154 /nfs/dbraw/zinc/39/61/54/209396154.db2.gz VVPWCQFDGAMCAV-FDDCHVKYSA-N 1 0 373.968 6.608 50 0 FKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)C(C)C)cc1 ZINC000002232728 209395725 /nfs/dbraw/zinc/39/57/25/209395725.db2.gz VVPWCQFDGAMCAV-MBSDFSHPSA-N 1 0 373.968 6.608 50 0 FKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)C(C)C)cc1 ZINC000002232730 209394866 /nfs/dbraw/zinc/39/48/66/209394866.db2.gz VVPWCQFDGAMCAV-WZONZLPQSA-N 1 0 373.968 6.608 50 0 FKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)C(C)C)cc1 ZINC000002232733 206153543 /nfs/dbraw/zinc/15/35/43/206153543.db2.gz VVPWCQFDGAMCAV-JPYJTQIMSA-N 1 0 373.968 6.608 50 0 FKAARO Cc1ccc([C@]2(CC[NH2+][C@@H](C)c3cccs3)CCO[C@H](C(C)C)C2)cc1 ZINC000002233015 570517215 /nfs/dbraw/zinc/51/72/15/570517215.db2.gz CGUCFXKLVWDOLG-IEIRFRATSA-N 1 0 371.590 5.870 50 0 FKAARO Cc1ccc([C@@]2(CC[NH2+]Cc3ccccc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000002238573 570517664 /nfs/dbraw/zinc/51/76/64/570517664.db2.gz PGPBHEFCMXSXDQ-RPWUZVMVSA-N 1 0 351.534 5.248 50 0 FKAARO Cc1ccc([C@]2(CC[NH2+]Cc3ccccc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000002238574 210384700 /nfs/dbraw/zinc/38/47/00/210384700.db2.gz PGPBHEFCMXSXDQ-DNQXCXABSA-N 1 0 351.534 5.248 50 0 FKAARO Cc1ccc([C@@]2(CC[NH2+]Cc3ccccc3)CCO[C@H](C(C)C)C2)cc1 ZINC000002238576 570517592 /nfs/dbraw/zinc/51/75/92/570517592.db2.gz PGPBHEFCMXSXDQ-ZEQRLZLVSA-N 1 0 351.534 5.248 50 0 FKAARO Cc1ccc([C@]2(CC[NH2+]Cc3ccccc3)CCO[C@H](C(C)C)C2)cc1 ZINC000002238577 206906015 /nfs/dbraw/zinc/90/60/15/206906015.db2.gz PGPBHEFCMXSXDQ-BJKOFHAPSA-N 1 0 351.534 5.248 50 0 FKAARO Cc1ccccc1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000002243421 570517847 /nfs/dbraw/zinc/51/78/47/570517847.db2.gz GPVWUKXZFDHGMZ-UHFFFAOYSA-N 1 0 364.513 7.435 50 0 FKAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccco2)Cc2ccccc2)cc1 ZINC000002249858 570517564 /nfs/dbraw/zinc/51/75/64/570517564.db2.gz OMSFJRRITYQMGV-QFIPXVFZSA-N 1 0 363.501 5.573 50 0 FKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccco2)Cc2ccccc2)cc1 ZINC000002249859 204030003 /nfs/dbraw/zinc/03/00/03/204030003.db2.gz OMSFJRRITYQMGV-JOCHJYFZSA-N 1 0 363.501 5.573 50 0 FKAARO CC[N@H+](CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000002265939 571293935 /nfs/dbraw/zinc/29/39/35/571293935.db2.gz YQZJWOZCQJLDGZ-ZEQRLZLVSA-N 1 0 365.561 5.888 50 0 FKAARO c1ccc(CC[NH2+][C@H]2CCCc3c4cc(C5CCCCC5)ccc4[nH]c32)cc1 ZINC000002269427 571294008 /nfs/dbraw/zinc/29/40/08/571294008.db2.gz UOXHIMPHQIDOBD-VWLOTQADSA-N 1 0 372.556 6.425 50 0 FKAARO c1ccc(CC[NH2+][C@@H]2CCCc3c4cc(C5CCCCC5)ccc4[nH]c32)cc1 ZINC000002269428 210388713 /nfs/dbraw/zinc/38/87/13/210388713.db2.gz UOXHIMPHQIDOBD-RUZDIDTESA-N 1 0 372.556 6.425 50 0 FKAARO COc1ccccc1[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000002296212 209395554 /nfs/dbraw/zinc/39/55/54/209395554.db2.gz GXIGDOSVBBYTLJ-JXFKEZNVSA-N 1 0 369.892 5.814 50 0 FKAARO COc1ccccc1[C@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000002296213 206155018 /nfs/dbraw/zinc/15/50/18/206155018.db2.gz GXIGDOSVBBYTLJ-UZLBHIALSA-N 1 0 369.892 5.814 50 0 FKAARO COc1ccccc1[C@@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000002296214 219435986 /nfs/dbraw/zinc/43/59/86/219435986.db2.gz GXIGDOSVBBYTLJ-OXJNMPFZSA-N 1 0 369.892 5.814 50 0 FKAARO COc1ccccc1[C@@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000002296215 219436508 /nfs/dbraw/zinc/43/65/08/219436508.db2.gz GXIGDOSVBBYTLJ-OXQOHEQNSA-N 1 0 369.892 5.814 50 0 FKAARO Cc1ccc2[nH+]c(C)c(CC=C(Cl)Cl)c(Nc3ccccc3)c2c1 ZINC000002316890 210390918 /nfs/dbraw/zinc/39/09/18/210390918.db2.gz HXUFKYSDFZXJQX-UHFFFAOYSA-N 1 0 357.284 6.457 50 0 FKAARO CCCC[NH+](CCCC)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002318349 204034112 /nfs/dbraw/zinc/03/41/12/204034112.db2.gz VMKNAVPWVKCODF-IBGZPJMESA-N 1 0 352.522 5.058 50 0 FKAARO CCCC[NH+](CCCC)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002318350 210389493 /nfs/dbraw/zinc/38/94/93/210389493.db2.gz VMKNAVPWVKCODF-LJQANCHMSA-N 1 0 352.522 5.058 50 0 FKAARO COc1ccc([C@H](CC[NH2+]Cc2ccc(OC(C)C)cc2)C(C)C)cc1 ZINC000002332182 219438749 /nfs/dbraw/zinc/43/87/49/219438749.db2.gz BPBDVEZZLKLLGN-HSZRJFAPSA-N 1 0 355.522 5.402 50 0 FKAARO COc1ccc([C@@H](CC[NH2+]Cc2ccc(OC(C)C)cc2)C(C)C)cc1 ZINC000002332184 209395257 /nfs/dbraw/zinc/39/52/57/209395257.db2.gz BPBDVEZZLKLLGN-QHCPKHFHSA-N 1 0 355.522 5.402 50 0 FKAARO c1ccc([C@@H]2C3=C(c4ccccc4CC3)[N@H+]3CCO[C@@]34CCCC[C@@H]24)cc1 ZINC000002335467 571318176 /nfs/dbraw/zinc/31/81/76/571318176.db2.gz CKZZOIDHUAISOG-JBRSBNLGSA-N 1 0 357.497 5.360 50 0 FKAARO CC(=O)N(CCC[NH+](C)C)[C@@H](C)c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000002369157 210393786 /nfs/dbraw/zinc/39/37/86/210393786.db2.gz XCOZBPNEDRFXGI-KRWDZBQOSA-N 1 0 372.597 5.069 50 0 FKAARO CC(=O)N(CCC[NH+](C)C)[C@H](C)c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000002369158 570520171 /nfs/dbraw/zinc/52/01/71/570520171.db2.gz XCOZBPNEDRFXGI-QGZVFWFLSA-N 1 0 372.597 5.069 50 0 FKAARO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccccc1 ZINC000002374205 210394987 /nfs/dbraw/zinc/39/49/87/210394987.db2.gz RBVCWAULFGDWPZ-UHFFFAOYSA-N 1 0 351.490 5.254 50 0 FKAARO c1ccc(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)cc1 ZINC000002386677 204036387 /nfs/dbraw/zinc/03/63/87/204036387.db2.gz LCSNDSFWVKMJCT-UHFFFAOYSA-N 1 0 350.486 7.126 50 0 FKAARO Cc1ccc(-[n+]2c(-c3ccc(OC(F)F)cc3)cn3c2CCCCC3)cc1 ZINC000002387582 210395787 /nfs/dbraw/zinc/39/57/87/210395787.db2.gz LDAYYDOJDBUSNB-UHFFFAOYSA-N 1 0 369.435 5.068 50 0 FKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@H](Cc2ccccc2)c2ccco2)cc1 ZINC000002404659 219442474 /nfs/dbraw/zinc/44/24/74/219442474.db2.gz LZFIVDDQWGXNNY-QFIPXVFZSA-N 1 0 363.501 5.573 50 0 FKAARO CC(C)Oc1ccc(C[NH2+]CC[C@H](Cc2ccccc2)c2ccco2)cc1 ZINC000002404660 209395989 /nfs/dbraw/zinc/39/59/89/209395989.db2.gz LZFIVDDQWGXNNY-JOCHJYFZSA-N 1 0 363.501 5.573 50 0 FKAARO CCCC[NH+](CCCC)CCCNc1ncnc2c3cc(C)ccc3[nH]c21 ZINC000002412900 204037222 /nfs/dbraw/zinc/03/72/22/204037222.db2.gz FJNZMLDYYNZMQE-UHFFFAOYSA-N 1 0 367.541 5.124 50 0 FKAARO CC(C)Oc1ccc(C[NH2+]CC[C@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000002432473 571322223 /nfs/dbraw/zinc/32/22/23/571322223.db2.gz XSQWQHCMNCZHKU-RBBKRZOGSA-N 1 0 361.570 5.431 50 0 FKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000002432474 571322261 /nfs/dbraw/zinc/32/22/61/571322261.db2.gz XSQWQHCMNCZHKU-UNMCSNQZSA-N 1 0 361.570 5.431 50 0 FKAARO CC(C)Oc1ccc(C[NH2+]CC[C@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002432475 206154212 /nfs/dbraw/zinc/15/42/12/206154212.db2.gz XSQWQHCMNCZHKU-IFMALSPDSA-N 1 0 361.570 5.431 50 0 FKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002432477 209395415 /nfs/dbraw/zinc/39/54/15/209395415.db2.gz XSQWQHCMNCZHKU-IRLDBZIGSA-N 1 0 361.570 5.431 50 0 FKAARO COc1ccc([C@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)CCC(C)C)cc1 ZINC000002444411 219444384 /nfs/dbraw/zinc/44/43/84/219444384.db2.gz NIQSHFRVLGQLJZ-RXVVDRJESA-N 1 0 373.968 6.609 50 0 FKAARO COc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)CCC(C)C)cc1 ZINC000002444412 571322429 /nfs/dbraw/zinc/32/24/29/571322429.db2.gz NIQSHFRVLGQLJZ-GHTZIAJQSA-N 1 0 373.968 6.609 50 0 FKAARO COc1ccc([C@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)CCC(C)C)cc1 ZINC000002444413 571322406 /nfs/dbraw/zinc/32/24/06/571322406.db2.gz NIQSHFRVLGQLJZ-NQIIRXRSSA-N 1 0 373.968 6.609 50 0 FKAARO COc1ccc([C@@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)CCC(C)C)cc1 ZINC000002444415 206154170 /nfs/dbraw/zinc/15/41/70/206154170.db2.gz NIQSHFRVLGQLJZ-WIYYLYMNSA-N 1 0 373.968 6.609 50 0 FKAARO COc1ccc([C@H](CC[NH2+][C@@H](C)c2cccs2)c2ccc(F)cc2)cc1 ZINC000002447695 206154115 /nfs/dbraw/zinc/15/41/15/206154115.db2.gz DHVFCGXMEZIXNM-HRAATJIYSA-N 1 0 369.505 5.769 50 0 FKAARO COc1ccc([C@H](CC[NH2+][C@H](C)c2cccs2)c2ccc(F)cc2)cc1 ZINC000002447696 571322460 /nfs/dbraw/zinc/32/24/60/571322460.db2.gz DHVFCGXMEZIXNM-IIBYNOLFSA-N 1 0 369.505 5.769 50 0 FKAARO COc1ccc([C@@H](CC[NH2+][C@@H](C)c2cccs2)c2ccc(F)cc2)cc1 ZINC000002447697 206153753 /nfs/dbraw/zinc/15/37/53/206153753.db2.gz DHVFCGXMEZIXNM-KKSFZXQISA-N 1 0 369.505 5.769 50 0 FKAARO COc1ccc([C@@H](CC[NH2+][C@H](C)c2cccs2)c2ccc(F)cc2)cc1 ZINC000002447698 209395447 /nfs/dbraw/zinc/39/54/47/209395447.db2.gz DHVFCGXMEZIXNM-IERDGZPVSA-N 1 0 369.505 5.769 50 0 FKAARO COc1ccc([C@H](CC[NH2+][C@@H](C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000002448442 219444276 /nfs/dbraw/zinc/44/42/76/219444276.db2.gz LTARLXNMDBFWOI-MHECFPHRSA-N 1 0 363.476 5.707 50 0 FKAARO COc1ccc([C@H](CC[NH2+][C@H](C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000002448443 219444413 /nfs/dbraw/zinc/44/44/13/219444413.db2.gz LTARLXNMDBFWOI-HOYKHHGWSA-N 1 0 363.476 5.707 50 0 FKAARO COc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000002448444 206154143 /nfs/dbraw/zinc/15/41/43/206154143.db2.gz LTARLXNMDBFWOI-UUOWRZLLSA-N 1 0 363.476 5.707 50 0 FKAARO COc1ccc([C@@H](CC[NH2+][C@H](C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000002448445 571322546 /nfs/dbraw/zinc/32/25/46/571322546.db2.gz LTARLXNMDBFWOI-KOSHJBKYSA-N 1 0 363.476 5.707 50 0 FKAARO Clc1ccc([C@@]2(CC[NH+]3CCCCC3)CCCc3ccccc32)cc1 ZINC000002450389 571322773 /nfs/dbraw/zinc/32/27/73/571322773.db2.gz RHBRKZVFYYENSN-QHCPKHFHSA-N 1 0 353.937 5.838 50 0 FKAARO Clc1ccc([C@]2(CC[NH+]3CCCCC3)CCCc3ccccc32)cc1 ZINC000002450390 571322790 /nfs/dbraw/zinc/32/27/90/571322790.db2.gz RHBRKZVFYYENSN-HSZRJFAPSA-N 1 0 353.937 5.838 50 0 FKAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccccc1)c1ccc(OC(C)C)cc1 ZINC000002453361 219444820 /nfs/dbraw/zinc/44/48/20/219444820.db2.gz OTKKPECJIQHSHR-QHCPKHFHSA-N 1 0 353.550 6.174 50 0 FKAARO CC(C)CC[C@H](CC[NH2+]Cc1ccccc1)c1ccc(OC(C)C)cc1 ZINC000002453362 571322889 /nfs/dbraw/zinc/32/28/89/571322889.db2.gz OTKKPECJIQHSHR-HSZRJFAPSA-N 1 0 353.550 6.174 50 0 FKAARO CC(C)CC[C@@]1(CC[NH2+][C@@H](C)c2ccc(Cl)cc2)CCOC(C)(C)C1 ZINC000002453803 219445549 /nfs/dbraw/zinc/44/55/49/219445549.db2.gz CODQGSPQNINKTM-PGRDOPGGSA-N 1 0 365.989 6.392 50 0 FKAARO CC(C)CC[C@]1(CC[NH2+][C@@H](C)c2ccc(Cl)cc2)CCOC(C)(C)C1 ZINC000002453804 206916547 /nfs/dbraw/zinc/91/65/47/206916547.db2.gz CODQGSPQNINKTM-AVRDEDQJSA-N 1 0 365.989 6.392 50 0 FKAARO CC(C)CC[C@@]1(CC[NH2+][C@H](C)c2ccc(Cl)cc2)CCOC(C)(C)C1 ZINC000002453805 204040057 /nfs/dbraw/zinc/04/00/57/204040057.db2.gz CODQGSPQNINKTM-XMSQKQJNSA-N 1 0 365.989 6.392 50 0 FKAARO CC(C)CC[C@]1(CC[NH2+][C@H](C)c2ccc(Cl)cc2)CCOC(C)(C)C1 ZINC000002453806 210399486 /nfs/dbraw/zinc/39/94/86/210399486.db2.gz CODQGSPQNINKTM-GCJKJVERSA-N 1 0 365.989 6.392 50 0 FKAARO COc1ccc(C[NH2+]CC[C@H](CCC(C)C)c2ccc(OC)cc2)cc1 ZINC000002454063 571322952 /nfs/dbraw/zinc/32/29/52/571322952.db2.gz LUFXWMHKGCJJAY-NRFANRHFSA-N 1 0 355.522 5.404 50 0 FKAARO COc1ccc(C[NH2+]CC[C@@H](CCC(C)C)c2ccc(OC)cc2)cc1 ZINC000002454064 219445506 /nfs/dbraw/zinc/44/55/06/219445506.db2.gz LUFXWMHKGCJJAY-OAQYLSRUSA-N 1 0 355.522 5.404 50 0 FKAARO CCn1c2ccccc2c2cc(C[NH2+][C@H]3CCCc4ccccc43)ccc21 ZINC000002466149 570521919 /nfs/dbraw/zinc/52/19/19/570521919.db2.gz PUQGENRBXGZWDZ-QHCPKHFHSA-N 1 0 354.497 5.982 50 0 FKAARO C[NH+]1[C@@H](c2ccccc2)CC(O)(Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000002472762 571070066 /nfs/dbraw/zinc/07/00/66/571070066.db2.gz AOWOYGJULXOSNG-DNQXCXABSA-N 1 0 357.497 5.168 50 0 FKAARO C[NH+]1[C@H](c2ccccc2)CC(O)(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000002472766 571070281 /nfs/dbraw/zinc/07/02/81/571070281.db2.gz AOWOYGJULXOSNG-ZEQRLZLVSA-N 1 0 357.497 5.168 50 0 FKAARO c1ccc(C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1 ZINC000002498937 570522424 /nfs/dbraw/zinc/52/24/24/570522424.db2.gz KUPNFLQNVACLQP-SANMLTNESA-N 1 0 370.540 5.225 50 0 FKAARO c1ccc(C[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1 ZINC000002498939 570522464 /nfs/dbraw/zinc/52/24/64/570522464.db2.gz KUPNFLQNVACLQP-AREMUKBSSA-N 1 0 370.540 5.225 50 0 FKAARO Cc1cccc(C)c1OC[C@@H](C)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000002529350 570523892 /nfs/dbraw/zinc/52/38/92/570523892.db2.gz KOHADXOJBXMRAQ-JOCHJYFZSA-N 1 0 373.540 5.883 50 0 FKAARO FC(F)(F)c1ccc(CC[NH2+]CCc2ccc(C(F)(F)F)cc2)cc1 ZINC000002553841 570524590 /nfs/dbraw/zinc/52/45/90/570524590.db2.gz IQJRQBYQEVSVQG-UHFFFAOYSA-N 1 0 361.329 5.099 50 0 FKAARO CCC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000002571294 204045590 /nfs/dbraw/zinc/04/55/90/204045590.db2.gz WLRWXNJSHNQPFB-UHFFFAOYSA-N 1 0 350.485 6.385 50 0 FKAARO OC(c1ccccc1)(c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000002581147 219449667 /nfs/dbraw/zinc/44/96/67/219449667.db2.gz BCFJVZGZDXPFBN-XMMPIXPASA-N 1 0 357.497 5.150 50 0 FKAARO OC(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000002581148 570525643 /nfs/dbraw/zinc/52/56/43/570525643.db2.gz BCFJVZGZDXPFBN-DEOSSOPVSA-N 1 0 357.497 5.150 50 0 FKAARO CCc1ccc(-c2cn3c([n+]2-c2ccc(Cl)cc2)CCCCC3)cc1 ZINC000002597929 570526146 /nfs/dbraw/zinc/52/61/46/570526146.db2.gz KQVIFTCXJGUXSH-UHFFFAOYSA-N 1 0 351.901 5.374 50 0 FKAARO Clc1ccc(-c2cn3c([n+]2-c2ccc(Cl)cc2)CCCCC3)cc1 ZINC000002597978 570526058 /nfs/dbraw/zinc/52/60/58/570526058.db2.gz ZZXZVLKOZZUNDC-UHFFFAOYSA-N 1 0 358.292 5.465 50 0 FKAARO CCc1ccc(-c2c[n+](-c3ccc(Cl)cc3)c3n2CCCCC3)cc1 ZINC000002684348 571340377 /nfs/dbraw/zinc/34/03/77/571340377.db2.gz OKTBDNCZARAGSU-UHFFFAOYSA-N 1 0 351.901 5.374 50 0 FKAARO c1ccc(-c2c3ccccn3c(C[NH+]3CCCCC3)c2-c2ccccc2)cc1 ZINC000002708194 570665344 /nfs/dbraw/zinc/66/53/44/570665344.db2.gz BZJDACGXIVQWMO-UHFFFAOYSA-N 1 0 366.508 6.259 50 0 FKAARO CC(C)(C)c1cc(C[N@@H+]2CCc3ccccc3C2)cc(C(C)(C)C)c1O ZINC000002811103 204059997 /nfs/dbraw/zinc/05/99/97/204059997.db2.gz AWNSYDNIYDCHHU-UHFFFAOYSA-N 1 0 351.534 5.546 50 0 FKAARO Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCc1ccccc1 ZINC000002816397 204060968 /nfs/dbraw/zinc/06/09/68/204060968.db2.gz TZMBEIZTFFHEHF-IBGZPJMESA-N 1 0 369.306 5.140 50 0 FKAARO Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCc1ccccc1 ZINC000002816398 204060408 /nfs/dbraw/zinc/06/04/08/204060408.db2.gz TZMBEIZTFFHEHF-LJQANCHMSA-N 1 0 369.306 5.140 50 0 FKAARO CC[C@@H](C)[NH2+]CCCCOc1ccc2ccccc2c1Br ZINC000002821828 571275818 /nfs/dbraw/zinc/27/58/18/571275818.db2.gz PLSZHHGOGFZSJZ-CQSZACIVSA-N 1 0 350.300 5.149 50 0 FKAARO CC[C@H](C)[NH2+]CCCCOc1ccc2ccccc2c1Br ZINC000002821829 206157286 /nfs/dbraw/zinc/15/72/86/206157286.db2.gz PLSZHHGOGFZSJZ-AWEZNQCLSA-N 1 0 350.300 5.149 50 0 FKAARO Cc1ccc(OCCCC[N@@H+](C)Cc2ccccc2)c(Br)c1 ZINC000002823124 209397185 /nfs/dbraw/zinc/39/71/85/209397185.db2.gz AEWAFEBQAPEWDL-UHFFFAOYSA-N 1 0 362.311 5.049 50 0 FKAARO Cc1cc(Cl)c(OCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(Br)c1 ZINC000002824829 206157580 /nfs/dbraw/zinc/15/75/80/206157580.db2.gz YAEDUFNYVDYWSJ-OKILXGFUSA-N 1 0 374.750 5.158 50 0 FKAARO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]C2CCCCC2)c1 ZINC000002836932 204060749 /nfs/dbraw/zinc/06/07/49/204060749.db2.gz YNDBNPHEUQTQHZ-UHFFFAOYSA-N 1 0 364.316 5.995 50 0 FKAARO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]Cc2ccccc2)c1 ZINC000002837000 570535286 /nfs/dbraw/zinc/53/52/86/570535286.db2.gz BRHWOEBIRKIZAU-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1ccc(OCCCC[NH+]2CCCCCC2)c(Br)c1 ZINC000002838884 570535220 /nfs/dbraw/zinc/53/52/20/570535220.db2.gz CVKYXOMAYAAGIR-UHFFFAOYSA-N 1 0 360.723 5.138 50 0 FKAARO Clc1cc(Br)ccc1OCCCC[NH+]1CCCCCC1 ZINC000002839011 570535791 /nfs/dbraw/zinc/53/57/91/570535791.db2.gz DOTYVWNXLDIRTA-UHFFFAOYSA-N 1 0 360.723 5.138 50 0 FKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000002841922 570536232 /nfs/dbraw/zinc/53/62/32/570536232.db2.gz ZQECWBLJDCNVJT-UHFFFAOYSA-N 1 0 370.496 5.592 50 0 FKAARO Cc1cc(Cl)cc(Br)c1OCCCC[NH2+]C1CCCC1 ZINC000002844473 570536216 /nfs/dbraw/zinc/53/62/16/570536216.db2.gz LBXAKNHLRORUAN-UHFFFAOYSA-N 1 0 360.723 5.102 50 0 FKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000002846240 570536452 /nfs/dbraw/zinc/53/64/52/570536452.db2.gz FWSSYVLPSPYEJD-KRWDZBQOSA-N 1 0 365.448 5.264 50 0 FKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000002846241 570536475 /nfs/dbraw/zinc/53/64/75/570536475.db2.gz FWSSYVLPSPYEJD-QGZVFWFLSA-N 1 0 365.448 5.264 50 0 FKAARO Oc1c(C2CCCCC2)cc(C[NH+]2CCCCC2)cc1C1CCCCC1 ZINC000002848836 570537013 /nfs/dbraw/zinc/53/70/13/570537013.db2.gz FWLHFVJLMPECPV-UHFFFAOYSA-N 1 0 355.566 6.474 50 0 FKAARO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000002850885 570769181 /nfs/dbraw/zinc/76/91/81/570769181.db2.gz WKDQGSLSOWSRCT-UHFFFAOYSA-N 1 0 351.277 5.088 50 0 FKAARO CCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000002863694 570768663 /nfs/dbraw/zinc/76/86/63/570768663.db2.gz ZMTNPOZKACKTGH-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO Clc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccccc1 ZINC000002863733 570539867 /nfs/dbraw/zinc/53/98/67/570539867.db2.gz BOTHXIJMQAJCAO-UHFFFAOYSA-N 1 0 350.289 5.605 50 0 FKAARO CCCCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000002869553 570768683 /nfs/dbraw/zinc/76/86/83/570768683.db2.gz LCRLIRJUMWZDGS-UHFFFAOYSA-N 1 0 366.505 5.104 50 0 FKAARO CCCCOc1cccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000002875623 570541666 /nfs/dbraw/zinc/54/16/66/570541666.db2.gz CAASBQZSRWMGOZ-UHFFFAOYSA-N 1 0 366.505 5.104 50 0 FKAARO c1ccc(Oc2cccc(OCCCCCC[NH+]3CCCCC3)c2)cc1 ZINC000002880523 206942429 /nfs/dbraw/zinc/94/24/29/206942429.db2.gz CWDQOKUKSPDNKC-UHFFFAOYSA-N 1 0 353.506 5.904 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccccc1Cl ZINC000002884444 204066361 /nfs/dbraw/zinc/06/63/61/204066361.db2.gz OZHHWPCZAOUYGL-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO CCOc1c(Br)cc(C[NH2+]C2CCCCCCC2)cc1OC ZINC000002885203 568556780 /nfs/dbraw/zinc/55/67/80/568556780.db2.gz ATTLEYLKIDJNPW-UHFFFAOYSA-N 1 0 370.331 5.059 50 0 FKAARO Clc1ccc(Oc2cccc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)c2)cc1 ZINC000002893845 263327844 /nfs/dbraw/zinc/32/78/44/263327844.db2.gz RYCRTNPTJUFFBR-XMSQKQJNSA-N 1 0 355.909 6.287 50 0 FKAARO Clc1ccc(N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000002894004 132384340 /nfs/dbraw/zinc/38/43/40/132384340.db2.gz CMMFFTWWOBTFMT-UHFFFAOYSA-N 1 0 354.925 5.188 50 0 FKAARO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000002894085 571071533 /nfs/dbraw/zinc/07/15/33/571071533.db2.gz QLPAJZWONBXDTG-SBUREZEXSA-N 1 0 365.904 5.746 50 0 FKAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000002894086 571071525 /nfs/dbraw/zinc/07/15/25/571071525.db2.gz QLPAJZWONBXDTG-HXOBKFHXSA-N 1 0 365.904 5.746 50 0 FKAARO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000002894087 571071539 /nfs/dbraw/zinc/07/15/39/571071539.db2.gz QLPAJZWONBXDTG-GAJHUEQPSA-N 1 0 365.904 5.746 50 0 FKAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000002894088 571071446 /nfs/dbraw/zinc/07/14/46/571071446.db2.gz QLPAJZWONBXDTG-UZUQRXQVSA-N 1 0 365.904 5.746 50 0 FKAARO CC(C)(C)C1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000002894150 132384299 /nfs/dbraw/zinc/38/42/99/132384299.db2.gz VATAZCFYHCMRGJ-UHFFFAOYSA-N 1 0 368.487 5.432 50 0 FKAARO Cc1ccc(/C=C2\CCCC3=C2[NH+]=C2N=CNN2[C@H]3c2ccc(C)cc2)cc1 ZINC000002918669 206945173 /nfs/dbraw/zinc/94/51/73/206945173.db2.gz CPCCYTXCYNMEGO-YSSBIZNGSA-N 1 0 368.484 5.084 50 0 FKAARO Cc1ccc(/C=C2\CCCC3=C2[NH+]=C2N=CNN2[C@@H]3c2ccc(C)cc2)cc1 ZINC000002918672 204067859 /nfs/dbraw/zinc/06/78/59/204067859.db2.gz CPCCYTXCYNMEGO-POEBIKTISA-N 1 0 368.484 5.084 50 0 FKAARO CCC[C@@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002922707 571341763 /nfs/dbraw/zinc/34/17/63/571341763.db2.gz GTDOMKYTNRIMCB-XZOQPEGZSA-N 1 0 355.497 5.083 50 0 FKAARO CCC[C@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002922708 204066821 /nfs/dbraw/zinc/06/68/21/204066821.db2.gz GTDOMKYTNRIMCB-GOTSBHOMSA-N 1 0 355.497 5.083 50 0 FKAARO CCC[C@@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002922710 571341785 /nfs/dbraw/zinc/34/17/85/571341785.db2.gz GTDOMKYTNRIMCB-DHIUTWEWSA-N 1 0 355.497 5.083 50 0 FKAARO CCC[C@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002922712 571341772 /nfs/dbraw/zinc/34/17/72/571341772.db2.gz GTDOMKYTNRIMCB-PKTZIBPZSA-N 1 0 355.497 5.083 50 0 FKAARO CC[C@H]1CCCC[N@@H+]1Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000002928700 570544553 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Cc1cccc(OC[C@H](C)[NH2+]CCC(c2ccccc2)c2ccccc2)c1 ZINC000004072757 570574757 /nfs/dbraw/zinc/57/47/57/570574757.db2.gz IZXAGWMCNUNXNS-NRFANRHFSA-N 1 0 359.513 5.574 50 0 FKAARO Cc1ccc(OC[C@@H](C)[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000004072758 210506919 /nfs/dbraw/zinc/50/69/19/210506919.db2.gz RCFBVLOOSWSAMK-OAQYLSRUSA-N 1 0 359.513 5.574 50 0 FKAARO Cc1ccc(OC[C@H](C)[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000004072759 570574750 /nfs/dbraw/zinc/57/47/50/570574750.db2.gz RCFBVLOOSWSAMK-NRFANRHFSA-N 1 0 359.513 5.574 50 0 FKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)cc2)(CCC(C)C)CCO1 ZINC000004073130 206166572 /nfs/dbraw/zinc/16/65/72/206166572.db2.gz PGHBRKUZBUZSHJ-PKTZIBPZSA-N 1 0 361.570 5.577 50 0 FKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)cc2)(CCC(C)C)CCO1 ZINC000004073131 571210767 /nfs/dbraw/zinc/21/07/67/571210767.db2.gz PGHBRKUZBUZSHJ-GOTSBHOMSA-N 1 0 361.570 5.577 50 0 FKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)cc2)(CCC(C)C)CCO1 ZINC000004073132 571210793 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POFXFTVXJUYYRI-AQENTZESSA-N 1 0 365.561 6.046 50 0 FKAARO CCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CCC ZINC000004289952 570583416 /nfs/dbraw/zinc/58/34/16/570583416.db2.gz POFXFTVXJUYYRI-BHEUDDMMSA-N 1 0 365.561 6.046 50 0 FKAARO CCCC[C@]1(O)[C@@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CCC ZINC000004289953 207011408 /nfs/dbraw/zinc/01/14/08/207011408.db2.gz POFXFTVXJUYYRI-SXGYVVAPSA-N 1 0 365.561 6.046 50 0 FKAARO CCCC[C@@]1(O)[C@@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CCC ZINC000004289954 207011317 /nfs/dbraw/zinc/01/13/17/207011317.db2.gz POFXFTVXJUYYRI-GFKHSOBKSA-N 1 0 365.561 6.046 50 0 FKAARO C[C@H]([NH2+]CC[C@H](c1ccco1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004310959 570584299 /nfs/dbraw/zinc/58/42/99/570584299.db2.gz JNVARXLKKHHXCB-YWZLYKJASA-N 1 0 357.856 5.945 50 0 FKAARO C[C@@H]([NH2+]CC[C@H](c1ccco1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004310960 207012432 /nfs/dbraw/zinc/01/24/32/207012432.db2.gz JNVARXLKKHHXCB-QRWLVFNGSA-N 1 0 357.856 5.945 50 0 FKAARO C[C@H]([NH2+]CC[C@@H](c1ccco1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004310961 207012820 /nfs/dbraw/zinc/01/28/20/207012820.db2.gz JNVARXLKKHHXCB-MGPUTAFESA-N 1 0 357.856 5.945 50 0 FKAARO C[C@@H]([NH2+]CC[C@@H](c1ccco1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004310962 204130679 /nfs/dbraw/zinc/13/06/79/204130679.db2.gz JNVARXLKKHHXCB-FOIQADDNSA-N 1 0 357.856 5.945 50 0 FKAARO Clc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1Cl ZINC000004315280 571357887 /nfs/dbraw/zinc/35/78/87/571357887.db2.gz DOXFVEOMHDIJEF-UHFFFAOYSA-N 1 0 360.288 5.249 50 0 FKAARO Clc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(Cl)c1 ZINC000004315284 571357843 /nfs/dbraw/zinc/35/78/43/571357843.db2.gz GJZRDCCWSAGXRG-UHFFFAOYSA-N 1 0 360.288 5.249 50 0 FKAARO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000004321667 570584752 /nfs/dbraw/zinc/58/47/52/570584752.db2.gz UESVZIGYWSMKFB-KUWBRRTOSA-N 1 0 368.565 5.157 50 0 FKAARO CCCCCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CC ZINC000004322915 204132986 /nfs/dbraw/zinc/13/29/86/204132986.db2.gz MPYSXPHSCSBUPX-LIONHTAISA-N 1 0 365.561 6.190 50 0 FKAARO CCCCCC[C@@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CC ZINC000004322916 204132342 /nfs/dbraw/zinc/13/23/42/204132342.db2.gz MPYSXPHSCSBUPX-ZYQDXHPFSA-N 1 0 365.561 6.190 50 0 FKAARO CCCCCC[C@]1(O)C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CC ZINC000004322917 207014212 /nfs/dbraw/zinc/01/42/12/207014212.db2.gz MPYSXPHSCSBUPX-JBXUNAHCSA-N 1 0 365.561 6.190 50 0 FKAARO CCCCCC[C@@]1(O)C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CC ZINC000004322918 570585180 /nfs/dbraw/zinc/58/51/80/570585180.db2.gz MPYSXPHSCSBUPX-CXSMSNRLSA-N 1 0 365.561 6.190 50 0 FKAARO Clc1cc(CSc2ccccc2C2=[NH+]CCCN2)c(Cl)s1 ZINC000004323439 207014351 /nfs/dbraw/zinc/01/43/51/207014351.db2.gz LTWCBBRXEBVHTH-UHFFFAOYSA-N 1 0 357.331 5.087 50 0 FKAARO Cc1c(C)c(C)c(CSC2=[NH+]CCN2Cc2ccccc2)c(C)c1C ZINC000004323613 204132296 /nfs/dbraw/zinc/13/22/96/204132296.db2.gz IPCITRUELNXIND-UHFFFAOYSA-N 1 0 352.547 5.334 50 0 FKAARO COc1ccccc1C1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000004325154 570585168 /nfs/dbraw/zinc/58/51/68/570585168.db2.gz JNFNPCBQSKYGER-UHFFFAOYSA-N 1 0 365.517 5.178 50 0 FKAARO COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1sc3ccccc3c1C)CC2 ZINC000004333142 570585253 /nfs/dbraw/zinc/58/52/53/570585253.db2.gz UTGGCACUEFXACL-HNNXBMFYSA-N 1 0 367.514 5.346 50 0 FKAARO COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1sc3ccccc3c1C)CC2 ZINC000004333144 207014435 /nfs/dbraw/zinc/01/44/35/207014435.db2.gz UTGGCACUEFXACL-OAHLLOKOSA-N 1 0 367.514 5.346 50 0 FKAARO COc1ccccc1C1CC[NH+](Cc2sc3ccccc3c2C)CC1 ZINC000004333148 204134704 /nfs/dbraw/zinc/13/47/04/204134704.db2.gz XXFJGKOFLBSBRZ-UHFFFAOYSA-N 1 0 351.515 5.598 50 0 FKAARO Cc1c2ccccc2sc1C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000004333152 204134711 /nfs/dbraw/zinc/13/47/11/204134711.db2.gz GQEPOVJLDVWXFK-UHFFFAOYSA-N 1 0 367.489 5.444 50 0 FKAARO CCC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1)CC1CCCCC1 ZINC000004355792 204135671 /nfs/dbraw/zinc/13/56/71/204135671.db2.gz ZHVDRKSBKNCTAW-DEOSSOPVSA-N 1 0 368.565 5.080 50 0 FKAARO CCC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1)CC1CCCCC1 ZINC000004355798 570755338 /nfs/dbraw/zinc/75/53/38/570755338.db2.gz ZHVDRKSBKNCTAW-XMMPIXPASA-N 1 0 368.565 5.080 50 0 FKAARO CC(C)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)[C@@H](C)c1ccccc1 ZINC000004378959 204137616 /nfs/dbraw/zinc/13/76/16/204137616.db2.gz MMZDXUBQLIVNMV-FQEVSTJZSA-N 1 0 364.508 5.895 50 0 FKAARO CC(C)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)[C@H](C)c1ccccc1 ZINC000004378960 570765215 /nfs/dbraw/zinc/76/52/15/570765215.db2.gz MMZDXUBQLIVNMV-HXUWFJFHSA-N 1 0 364.508 5.895 50 0 FKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2F)CC(C)C)c1 ZINC000004379568 570766313 /nfs/dbraw/zinc/76/63/13/570766313.db2.gz FLCAAZBNPLATRL-UHFFFAOYSA-N 1 0 364.508 5.642 50 0 FKAARO Cc1cccn2c(Nc3c(C)cccc3C)c(CCc3ccccc3)[nH+]c12 ZINC000004381308 204137684 /nfs/dbraw/zinc/13/76/84/204137684.db2.gz BOQJZDGRZFNTTM-UHFFFAOYSA-N 1 0 355.485 5.788 50 0 FKAARO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1cccnc1 ZINC000004413550 219573367 /nfs/dbraw/zinc/57/33/67/219573367.db2.gz AWCVEQOWPICIID-UHFFFAOYSA-N 1 0 372.443 5.243 50 0 FKAARO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccnc2)cc1 ZINC000004413552 570590278 /nfs/dbraw/zinc/59/02/78/570590278.db2.gz HRAITMNKPPUSAL-UHFFFAOYSA-N 1 0 372.443 5.243 50 0 FKAARO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1ccncc1 ZINC000004413602 204138453 /nfs/dbraw/zinc/13/84/53/204138453.db2.gz KSUUBOHSELRSLT-UHFFFAOYSA-N 1 0 372.443 5.243 50 0 FKAARO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccncc2)cc1 ZINC000004413603 207018770 /nfs/dbraw/zinc/01/87/70/207018770.db2.gz LKGABVQDHYYWHK-UHFFFAOYSA-N 1 0 372.443 5.243 50 0 FKAARO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccn2)cc1 ZINC000004413650 570590133 /nfs/dbraw/zinc/59/01/33/570590133.db2.gz JDORPLIQXBPAAD-UHFFFAOYSA-N 1 0 372.443 5.243 50 0 FKAARO CCCCCOc1ccc([C@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000004425419 204137967 /nfs/dbraw/zinc/13/79/67/204137967.db2.gz AUFMKGRMGQMMSP-ZEQRLZLVSA-N 1 0 367.533 5.169 50 0 FKAARO CCCCCOc1ccc([C@@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000004425422 570779886 /nfs/dbraw/zinc/77/98/86/570779886.db2.gz AUFMKGRMGQMMSP-BJKOFHAPSA-N 1 0 367.533 5.169 50 0 FKAARO CCCCCOc1ccc([C@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000004425425 207020472 /nfs/dbraw/zinc/02/04/72/207020472.db2.gz AUFMKGRMGQMMSP-RPWUZVMVSA-N 1 0 367.533 5.169 50 0 FKAARO CCCCCOc1ccc([C@@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000004425428 207020126 /nfs/dbraw/zinc/02/01/26/207020126.db2.gz AUFMKGRMGQMMSP-DNQXCXABSA-N 1 0 367.533 5.169 50 0 FKAARO C[C@@H]1C(c2ccccc2)=[N+](C)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000004427712 570778712 /nfs/dbraw/zinc/77/87/12/570778712.db2.gz CTWBZPZGQUGJLG-WUMKDDEVSA-N 1 0 368.500 5.051 50 0 FKAARO C[C@@H]1C(c2ccccc2)=[N+](C)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000004427716 207019939 /nfs/dbraw/zinc/01/99/39/207019939.db2.gz CTWBZPZGQUGJLG-IEXUWNMDSA-N 1 0 368.500 5.051 50 0 FKAARO CC1(C)Cc2ccccc2C(C=C2NC3(CCCC3)Cc3ccccc32)=[NH+]1 ZINC000004442140 207019665 /nfs/dbraw/zinc/01/96/65/207019665.db2.gz MLQKNLCTOBULMJ-HAHDFKILSA-N 1 0 356.513 5.310 50 0 FKAARO CC1(C)Cc2ccccc2C(C=C2NC3(CCCCC3)Cc3ccccc32)=[NH+]1 ZINC000004450982 570591099 /nfs/dbraw/zinc/59/10/99/570591099.db2.gz CGQUMPUWJUCCIY-JLPGSUDCSA-N 1 0 370.540 5.700 50 0 FKAARO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004477926 207020979 /nfs/dbraw/zinc/02/09/79/207020979.db2.gz AQYWHUJCPVLQLO-JFWNMISASA-N 1 0 371.524 5.414 50 0 FKAARO O[C@@H](COc1ccccc1Cl)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000004484451 570592087 /nfs/dbraw/zinc/59/20/87/570592087.db2.gz RLVOKSOQHDTMCC-LJQANCHMSA-N 1 0 365.945 5.047 50 0 FKAARO COc1ccc(CC[N@H+](C)C2(c3cccs3)CCCCC2)cc1OC ZINC000004489086 204141236 /nfs/dbraw/zinc/14/12/36/204141236.db2.gz SVJREYVUOQZRQV-UHFFFAOYSA-N 1 0 359.535 5.099 50 0 FKAARO CCn1c2ccccc2c2cc(C[NH2+]CCc3c[nH]c4ccccc34)ccc21 ZINC000004497806 207022705 /nfs/dbraw/zinc/02/27/05/207022705.db2.gz JOSHCCLTVWCMHC-UHFFFAOYSA-N 1 0 367.496 5.628 50 0 FKAARO CCCC[C@H](CC)C[NH+](C[C@@H](CC)CCCC)C[C@@H](CC)CCCC ZINC000004521903 207025719 /nfs/dbraw/zinc/02/57/19/207025719.db2.gz BZUDVELGTZDOIG-HJOGWXRNSA-N 1 0 353.679 7.938 50 0 FKAARO CCCC[C@@H](CC)C[NH+](C[C@H](CC)CCCC)C[C@@H](CC)CCCC ZINC000004521904 570594998 /nfs/dbraw/zinc/59/49/98/570594998.db2.gz BZUDVELGTZDOIG-SMIHKQSGSA-N 1 0 353.679 7.938 50 0 FKAARO CC(C)CCCCC[NH+](CCCCCC(C)C)CCCCCC(C)C ZINC000004529152 210537750 /nfs/dbraw/zinc/53/77/50/210537750.db2.gz YKGBNAGNNUEZQC-UHFFFAOYSA-N 1 0 353.679 7.938 50 0 FKAARO CCCCCc1ccc(OCCCC[n+]2ccccc2)c(CCCCC)c1 ZINC000004530585 207026070 /nfs/dbraw/zinc/02/60/70/207026070.db2.gz PHEWIIFLHOOXFH-UHFFFAOYSA-N 1 0 368.585 6.299 50 0 FKAARO Cc1sc(NC(=O)c2ccccc2F)c(C[N@H+]2CCCC[C@@H]2C)c1C ZINC000004539797 204145770 /nfs/dbraw/zinc/14/57/70/204145770.db2.gz NGHZYYOSKFCOBC-ZDUSSCGKSA-N 1 0 360.498 5.131 50 0 FKAARO Cc1sc(NC(=O)c2ccccc2F)c(C[N@H+]2CCCC[C@H]2C)c1C ZINC000004539799 207026275 /nfs/dbraw/zinc/02/62/75/207026275.db2.gz NGHZYYOSKFCOBC-CYBMUJFWSA-N 1 0 360.498 5.131 50 0 FKAARO C[C@@H]1CCCCN1c1cc(-c2ccc(C(C)(C)C)cc2)[nH+]c2ccccc21 ZINC000004541718 132306194 /nfs/dbraw/zinc/30/61/94/132306194.db2.gz XWCLYCDJGCFHSQ-GOSISDBHSA-N 1 0 358.529 6.578 50 0 FKAARO C[C@H]1CCCCN1c1cc(-c2ccc(C(C)(C)C)cc2)[nH+]c2ccccc21 ZINC000004541719 132306176 /nfs/dbraw/zinc/30/61/76/132306176.db2.gz XWCLYCDJGCFHSQ-SFHVURJKSA-N 1 0 358.529 6.578 50 0 FKAARO CC1CCN(c2cc(-c3ccc(C(C)(C)C)cc3)[nH+]c3ccccc32)CC1 ZINC000004541722 132306117 /nfs/dbraw/zinc/30/61/17/132306117.db2.gz LIXDQLBINDHSRE-UHFFFAOYSA-N 1 0 358.529 6.436 50 0 FKAARO CC[NH+](CC)CCNc1cc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000004541746 571131196 /nfs/dbraw/zinc/13/11/96/571131196.db2.gz ZPLFKFRELDMWJN-UHFFFAOYSA-N 1 0 353.897 5.309 50 0 FKAARO CCCCCC[C@@H](C)Nc1ccc(N[C@@H](C)CCC[NH+](CC)CC)cc1 ZINC000004552240 571131622 /nfs/dbraw/zinc/13/16/22/571131622.db2.gz GFVQYDVMTCAVFN-RTWAWAEBSA-N 1 0 361.618 6.380 50 0 FKAARO CCCCCC[C@H](C)Nc1ccc(N[C@@H](C)CCC[NH+](CC)CC)cc1 ZINC000004552241 571131644 /nfs/dbraw/zinc/13/16/44/571131644.db2.gz GFVQYDVMTCAVFN-SFTDATJTSA-N 1 0 361.618 6.380 50 0 FKAARO CCCCCC[C@@H](C)Nc1ccc(N[C@H](C)CCC[NH+](CC)CC)cc1 ZINC000004552242 571131616 /nfs/dbraw/zinc/13/16/16/571131616.db2.gz GFVQYDVMTCAVFN-NHCUHLMSSA-N 1 0 361.618 6.380 50 0 FKAARO CCCCCC[C@H](C)Nc1ccc(N[C@H](C)CCC[NH+](CC)CC)cc1 ZINC000004552243 571131742 /nfs/dbraw/zinc/13/17/42/571131742.db2.gz GFVQYDVMTCAVFN-LEWJYISDSA-N 1 0 361.618 6.380 50 0 FKAARO CC[N@H+](Cc1ccccc1)C1CCN(Cc2cccc3ccccc32)CC1 ZINC000004553797 207028526 /nfs/dbraw/zinc/02/85/26/207028526.db2.gz YVQHXFQAESMHRO-UHFFFAOYSA-N 1 0 358.529 5.326 50 0 FKAARO O=C(CSc1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004554767 570774092 /nfs/dbraw/zinc/77/40/92/570774092.db2.gz IBRFACOOKALCEO-UHFFFAOYSA-N 1 0 374.937 5.057 50 0 FKAARO CC(C)c1ccc(/C=C/C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000004554769 570833590 /nfs/dbraw/zinc/83/35/90/570833590.db2.gz DGDCFEHGLXXBTJ-XNTDXEJSSA-N 1 0 362.517 5.448 50 0 FKAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555389 204147393 /nfs/dbraw/zinc/14/73/93/204147393.db2.gz NDHOPVCXDQDCPC-HEGQMBHGSA-N 1 0 357.497 5.072 50 0 FKAARO CC(C)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1 ZINC000004555579 570834780 /nfs/dbraw/zinc/83/47/80/570834780.db2.gz BOVAWBRJQMNTHF-IBGZPJMESA-N 1 0 369.534 5.067 50 0 FKAARO CC(C)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1 ZINC000004555580 204147045 /nfs/dbraw/zinc/14/70/45/204147045.db2.gz BOVAWBRJQMNTHF-LJQANCHMSA-N 1 0 369.534 5.067 50 0 FKAARO CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000004564901 570836328 /nfs/dbraw/zinc/83/63/28/570836328.db2.gz ZKJMPYIDMQIGNU-GCJKJVERSA-N 1 0 350.506 5.222 50 0 FKAARO CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000004564902 207029315 /nfs/dbraw/zinc/02/93/15/207029315.db2.gz ZKJMPYIDMQIGNU-AVRDEDQJSA-N 1 0 350.506 5.222 50 0 FKAARO CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000004564906 570836522 /nfs/dbraw/zinc/83/65/22/570836522.db2.gz GYZUJEAEHADFSP-PWHSHALESA-N 1 0 364.533 5.468 50 0 FKAARO c1ccc2c(c1)ccc1c2-c2c(ccc3ccccc32)OCC[NH2+]CCO1 ZINC000004566136 207029564 /nfs/dbraw/zinc/02/95/64/207029564.db2.gz SHEFQLIYUKYQGW-UHFFFAOYSA-N 1 0 355.437 5.021 50 0 FKAARO CCCCCc1ccc(OCCC[n+]2ccc(C)cc2)c(CCCCC)c1 ZINC000004566203 570596438 /nfs/dbraw/zinc/59/64/38/570596438.db2.gz QYZSHDLEOKEKNC-UHFFFAOYSA-N 1 0 368.585 6.217 50 0 FKAARO CC[n+]1c(/C=C/C/C=C/N(C(C)=O)c2ccccc2)ccc2ccccc21 ZINC000004566324 570596422 /nfs/dbraw/zinc/59/64/22/570596422.db2.gz JRBCOIDQNHSCDP-GTWYIGBMSA-N 1 0 357.477 5.117 50 0 FKAARO CCCCCc1ccc(OCCC[n+]2ccccc2)c(CCCCC)c1 ZINC000004566492 570596252 /nfs/dbraw/zinc/59/62/52/570596252.db2.gz IMYGWRQFFZCFAQ-UHFFFAOYSA-N 1 0 354.558 5.909 50 0 FKAARO CCCC[NH+](CCCC)CCSCC(=O)Nc1c(C)cccc1Cl ZINC000004578883 570596774 /nfs/dbraw/zinc/59/67/74/570596774.db2.gz KANBICOUCIWDRE-UHFFFAOYSA-N 1 0 370.990 5.222 50 0 FKAARO c1ccc(C[n+]2cccc([C@H]3O[C@H]4CCCC[C@H]4C4=CCCC[C@H]43)c2)cc1 ZINC000004587595 570854671 /nfs/dbraw/zinc/85/46/71/570854671.db2.gz VGZDMJBYELSMKA-FQUZAXHOSA-N 1 0 360.521 5.379 50 0 FKAARO c1ccc(C[n+]2cccc([C@@H]3O[C@H]4CCCC[C@H]4C4=CCCC[C@H]43)c2)cc1 ZINC000004587596 207030876 /nfs/dbraw/zinc/03/08/76/207030876.db2.gz VGZDMJBYELSMKA-NDBXHCKUSA-N 1 0 360.521 5.379 50 0 FKAARO c1ccc(C[n+]2cccc([C@H]3O[C@H]4CCCC[C@H]4C4=CCCC[C@@H]43)c2)cc1 ZINC000004587597 570854726 /nfs/dbraw/zinc/85/47/26/570854726.db2.gz VGZDMJBYELSMKA-OJJQZRKESA-N 1 0 360.521 5.379 50 0 FKAARO c1ccc(C[n+]2cccc([C@@H]3O[C@H]4CCCC[C@H]4C4=CCCC[C@@H]43)c2)cc1 ZINC000004587600 570854746 /nfs/dbraw/zinc/85/47/46/570854746.db2.gz VGZDMJBYELSMKA-QORCZRPOSA-N 1 0 360.521 5.379 50 0 FKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2)[C@@H](C)C(C)C)c1 ZINC000004589954 204149239 /nfs/dbraw/zinc/14/92/39/204149239.db2.gz ISGUREZXVMSYKN-QFIPXVFZSA-N 1 0 360.545 5.892 50 0 FKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2)[C@H](C)C(C)C)c1 ZINC000004589958 570856238 /nfs/dbraw/zinc/85/62/38/570856238.db2.gz ISGUREZXVMSYKN-JOCHJYFZSA-N 1 0 360.545 5.892 50 0 FKAARO CC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004612817 207032960 /nfs/dbraw/zinc/03/29/60/207032960.db2.gz KIXGFZRPUASEFM-KEVKATSASA-N 1 0 371.524 5.462 50 0 FKAARO CC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004612818 210546213 /nfs/dbraw/zinc/54/62/13/210546213.db2.gz KIXGFZRPUASEFM-ASDGIDEWSA-N 1 0 371.524 5.462 50 0 FKAARO CC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004612820 263335284 /nfs/dbraw/zinc/33/52/84/263335284.db2.gz KIXGFZRPUASEFM-XDZVQPMWSA-N 1 0 371.524 5.462 50 0 FKAARO CC[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004612821 263335286 /nfs/dbraw/zinc/33/52/86/263335286.db2.gz KIXGFZRPUASEFM-QEGGNFSNSA-N 1 0 371.524 5.462 50 0 FKAARO c1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccncc2)cc1 ZINC000004622014 570597952 /nfs/dbraw/zinc/59/79/52/570597952.db2.gz OROAWSVEPCPNNB-UHFFFAOYSA-N 1 0 354.453 5.104 50 0 FKAARO COc1cc2[nH+]c(N(c3ccccc3)c3ccccc3)cc(N)c2cc1OC ZINC000004623508 571121963 /nfs/dbraw/zinc/12/19/63/571121963.db2.gz IVPWVPXLGBLELC-UHFFFAOYSA-N 1 0 371.440 5.304 50 0 FKAARO Brc1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000004657415 570598754 /nfs/dbraw/zinc/59/87/54/570598754.db2.gz RKXJBDWFYJWJKP-UHFFFAOYSA-N 1 0 352.275 5.328 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccccc1 ZINC000004657425 207035554 /nfs/dbraw/zinc/03/55/54/207035554.db2.gz OXBGNWDZXDFSIY-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000004657427 210548367 /nfs/dbraw/zinc/54/83/67/210548367.db2.gz GFLZAPCJCWPPDY-UHFFFAOYSA-N 1 0 363.860 5.099 50 0 FKAARO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccccc1F ZINC000004657428 570598930 /nfs/dbraw/zinc/59/89/30/570598930.db2.gz CANIKTZQFIBYRL-UHFFFAOYSA-N 1 0 363.860 5.099 50 0 FKAARO Clc1ccccc1Cn1c2ccccc2nc1NCc1cccs1 ZINC000004663554 204152800 /nfs/dbraw/zinc/15/28/00/204152800.db2.gz KIJUAUNHMTVJDG-UHFFFAOYSA-N 1 0 353.878 5.412 50 0 FKAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000004664827 570599199 /nfs/dbraw/zinc/59/91/99/570599199.db2.gz BFOXFBPASZZZAD-KRWDZBQOSA-N 1 0 359.554 5.313 50 0 FKAARO C[C@H](C[NH+]1CCCCC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000004664828 570599300 /nfs/dbraw/zinc/59/93/00/570599300.db2.gz BFOXFBPASZZZAD-QGZVFWFLSA-N 1 0 359.554 5.313 50 0 FKAARO CCc1ccccc1NC(=S)NCC[N@H+](C1CCCC1)C1CCCCC1 ZINC000004669812 204153123 /nfs/dbraw/zinc/15/31/23/204153123.db2.gz NWHQEXKUYTUZRV-UHFFFAOYSA-N 1 0 373.610 5.113 50 0 FKAARO Clc1cccc(-c2cc3cccc[n+]3cc2-c2cccc(Cl)c2)c1 ZINC000004671198 570600181 /nfs/dbraw/zinc/60/01/81/570600181.db2.gz QACRFSYCQZQEDC-UHFFFAOYSA-N 1 0 351.256 6.066 50 0 FKAARO Clc1ccc(-c2cc3cccc[n+]3cc2-c2ccc(Cl)cc2)cc1 ZINC000004671226 570600120 /nfs/dbraw/zinc/60/01/20/570600120.db2.gz GQCXMTKULOAJTD-UHFFFAOYSA-N 1 0 351.256 6.066 50 0 FKAARO OCC[n+]1c(-c2ccccc2)cc(-c2cccs2)cc1-c1ccccc1 ZINC000004672480 207036375 /nfs/dbraw/zinc/03/63/75/207036375.db2.gz XYCYISLAPUTACY-UHFFFAOYSA-N 1 0 358.486 5.029 50 0 FKAARO Cn1c(-c2ccc(Cl)c(Cl)c2)c[nH+]c1NCc1cccc(F)c1 ZINC000004678191 204153570 /nfs/dbraw/zinc/15/35/70/204153570.db2.gz ASXPXRMMTQEOMC-UHFFFAOYSA-N 1 0 350.224 5.145 50 0 FKAARO Cn1c(-c2ccc(Cl)c(Cl)c2)c[nH+]c1NCc1ccccc1F ZINC000004678261 204154556 /nfs/dbraw/zinc/15/45/56/204154556.db2.gz WIYRKSYICANAQK-UHFFFAOYSA-N 1 0 350.224 5.145 50 0 FKAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1c(F)cccc1Cl ZINC000004678354 571158454 /nfs/dbraw/zinc/15/84/54/571158454.db2.gz FFASHYOVMWBCJO-UHFFFAOYSA-N 1 0 350.224 5.145 50 0 FKAARO Cc1ccc(-c2c[nH+]c(NCc3cccc(Oc4ccccc4)c3)n2C)cc1 ZINC000004678355 571158554 /nfs/dbraw/zinc/15/85/54/571158554.db2.gz ZXKBTCMLAAMREC-UHFFFAOYSA-N 1 0 369.468 5.800 50 0 FKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1ccc(F)cc1 ZINC000004678395 571158491 /nfs/dbraw/zinc/15/84/91/571158491.db2.gz SFIUDUWLWIJZRZ-UHFFFAOYSA-N 1 0 357.432 5.505 50 0 FKAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(Cl)c(Cl)c1 ZINC000004678402 571158444 /nfs/dbraw/zinc/15/84/44/571158444.db2.gz PJNMVKZLVUZJQW-UHFFFAOYSA-N 1 0 350.224 5.145 50 0 FKAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1ccc(-c2ccccc2)cc1 ZINC000004678403 204153931 /nfs/dbraw/zinc/15/39/31/204153931.db2.gz PDDZGHQXNHJITK-UHFFFAOYSA-N 1 0 373.887 6.020 50 0 FKAARO COc1ccc(CNc2[nH+]cc(-c3ccc(-c4ccccc4)cc3)n2C)cc1 ZINC000004678409 204154372 /nfs/dbraw/zinc/15/43/72/204154372.db2.gz WGCVQHFKJJQWJW-UHFFFAOYSA-N 1 0 369.468 5.375 50 0 FKAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc(Oc2ccccc2)c1 ZINC000004678413 207037605 /nfs/dbraw/zinc/03/76/05/207037605.db2.gz VLHQZWYZTRYBPF-UHFFFAOYSA-N 1 0 373.431 5.631 50 0 FKAARO COc1cccc(-c2c[nH+]c(NCc3ccc(Cl)c(Cl)c3)n2C)c1 ZINC000004678416 207037150 /nfs/dbraw/zinc/03/71/50/207037150.db2.gz FXNMKQOBNGRCOQ-UHFFFAOYSA-N 1 0 362.260 5.015 50 0 FKAARO CCc1ccc(CNc2[nH+]cc(-c3ccc(-c4ccccc4)cc3)n2C)cc1 ZINC000004678430 571158460 /nfs/dbraw/zinc/15/84/60/571158460.db2.gz ZCDOPSYVHLSERZ-UHFFFAOYSA-N 1 0 367.496 5.929 50 0 FKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1cccc(Cl)c1 ZINC000004678437 571158452 /nfs/dbraw/zinc/15/84/52/571158452.db2.gz VOLBROLSUSNMQK-UHFFFAOYSA-N 1 0 373.887 6.020 50 0 FKAARO COc1ccc(-c2c[nH+]c(NCc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000004678446 571158464 /nfs/dbraw/zinc/15/84/64/571158464.db2.gz FFMLHFVVRPOPIU-UHFFFAOYSA-N 1 0 362.260 5.015 50 0 FKAARO COc1ccccc1CNc1[nH+]cc(-c2ccc(-c3ccccc3)cc2)n1C ZINC000004678451 204154350 /nfs/dbraw/zinc/15/43/50/204154350.db2.gz NOFKRVFYWGDMQG-UHFFFAOYSA-N 1 0 369.468 5.375 50 0 FKAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1cccc(Cl)c1Cl ZINC000004678452 571158480 /nfs/dbraw/zinc/15/84/80/571158480.db2.gz LTOFILBSKGTTEZ-UHFFFAOYSA-N 1 0 366.679 5.659 50 0 FKAARO Cc1cccc(CNc2[nH+]cc(-c3ccc(-c4ccccc4)cc3)n2C)c1 ZINC000004678455 204153694 /nfs/dbraw/zinc/15/36/94/204153694.db2.gz SROMIOJBODTLPK-UHFFFAOYSA-N 1 0 353.469 5.675 50 0 FKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1cccc(O)c1 ZINC000004678478 571158512 /nfs/dbraw/zinc/15/85/12/571158512.db2.gz ZYDIYYLAVDXCHF-UHFFFAOYSA-N 1 0 355.441 5.072 50 0 FKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1ccccc1Cl ZINC000004678485 207037116 /nfs/dbraw/zinc/03/71/16/207037116.db2.gz LLDYQJNIEWOGNF-UHFFFAOYSA-N 1 0 373.887 6.020 50 0 FKAARO COc1cccc(CNc2[nH+]cc(-c3ccc(-c4ccccc4)cc3)n2C)c1 ZINC000004678488 210550493 /nfs/dbraw/zinc/55/04/93/210550493.db2.gz KCPSWTAMPXOXGI-UHFFFAOYSA-N 1 0 369.468 5.375 50 0 FKAARO CC(C)c1ccc(CNc2[nH+]cc(-c3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000004678494 571158462 /nfs/dbraw/zinc/15/84/62/571158462.db2.gz CXYCLJGQZLPTSV-UHFFFAOYSA-N 1 0 374.315 6.129 50 0 FKAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(-c2ccccc2)cc1 ZINC000004678500 207036874 /nfs/dbraw/zinc/03/68/74/207036874.db2.gz NNHISYOGFRNNHC-UHFFFAOYSA-N 1 0 357.432 5.505 50 0 FKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1ccc(Cl)cc1 ZINC000004678505 571158586 /nfs/dbraw/zinc/15/85/86/571158586.db2.gz UEQQYYQPGOUNRO-UHFFFAOYSA-N 1 0 373.887 6.020 50 0 FKAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1cccc(Oc2ccccc2)c1 ZINC000004678516 571158523 /nfs/dbraw/zinc/15/85/23/571158523.db2.gz MWDDCYZMZJKDLU-UHFFFAOYSA-N 1 0 355.441 5.492 50 0 FKAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(-c4ccccc4)cc3)n2C)cc1 ZINC000004678531 571158560 /nfs/dbraw/zinc/15/85/60/571158560.db2.gz ABMVNWDQSBYZCT-UHFFFAOYSA-N 1 0 353.469 5.675 50 0 FKAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1ccc(C(F)(F)F)cc1 ZINC000004678532 204154192 /nfs/dbraw/zinc/15/41/92/204154192.db2.gz TZGOWKBPIVFYHX-UHFFFAOYSA-N 1 0 365.786 5.371 50 0 FKAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1c(F)cccc1Cl ZINC000004678542 210550943 /nfs/dbraw/zinc/55/09/43/210550943.db2.gz UZSIWTFZQIMIIK-UHFFFAOYSA-N 1 0 350.224 5.145 50 0 FKAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc(Cl)c1Cl ZINC000004678546 571158537 /nfs/dbraw/zinc/15/85/37/571158537.db2.gz XIXYUNIZAZSUPS-UHFFFAOYSA-N 1 0 350.224 5.145 50 0 FKAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1cccc(Cl)c1Cl ZINC000004678571 207037199 /nfs/dbraw/zinc/03/71/99/207037199.db2.gz INHFQTPMDDELDI-UHFFFAOYSA-N 1 0 366.679 5.659 50 0 FKAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1ccc(OCc2ccccc2)cc1 ZINC000004678622 204154406 /nfs/dbraw/zinc/15/44/06/204154406.db2.gz SPNXTDFMEGCVTK-UHFFFAOYSA-N 1 0 369.468 5.278 50 0 FKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1ccccc1F ZINC000004678639 571158600 /nfs/dbraw/zinc/15/86/00/571158600.db2.gz SVOFIZRHXQPZHG-UHFFFAOYSA-N 1 0 357.432 5.505 50 0 FKAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1ccc(C(F)(F)F)cc1 ZINC000004678664 571158626 /nfs/dbraw/zinc/15/86/26/571158626.db2.gz MGXXDAXBURKAEH-UHFFFAOYSA-N 1 0 365.786 5.371 50 0 FKAARO CCc1ccc(CNc2[nH+]cc(-c3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000004678700 207037626 /nfs/dbraw/zinc/03/76/26/207037626.db2.gz NKNAUAKUOGLGAA-UHFFFAOYSA-N 1 0 360.288 5.568 50 0 FKAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1ccc(Cl)c(Cl)c1 ZINC000004678703 204153686 /nfs/dbraw/zinc/15/36/86/204153686.db2.gz WKPJXIHVVITFKH-UHFFFAOYSA-N 1 0 366.679 5.659 50 0 FKAARO CCc1ccc(CNc2[nH+]cc(-c3ccc(Br)cc3)n2C)cc1 ZINC000004678705 207036494 /nfs/dbraw/zinc/03/64/94/207036494.db2.gz ZIQVKTRXGYWIQX-UHFFFAOYSA-N 1 0 370.294 5.024 50 0 FKAARO Cc1ccc(-c2c[nH+]c(NCc3cccc(Br)c3)n2C)cc1C ZINC000004678853 204154476 /nfs/dbraw/zinc/15/44/76/204154476.db2.gz LTFLLNLMTQHRAX-UHFFFAOYSA-N 1 0 370.294 5.079 50 0 FKAARO Cc1ccc(-c2c[nH+]c(NCc3cccc(Cl)c3Cl)n2C)cc1C ZINC000004678878 219594421 /nfs/dbraw/zinc/59/44/21/219594421.db2.gz OJJPVMDMZNWWGM-UHFFFAOYSA-N 1 0 360.288 5.623 50 0 FKAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(Cl)c(Cl)c3)n2C)cc1C ZINC000004678920 204153753 /nfs/dbraw/zinc/15/37/53/204153753.db2.gz QFKQPTSGOJZRAA-UHFFFAOYSA-N 1 0 360.288 5.623 50 0 FKAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(C(F)(F)F)cc3)n2C)cc1C ZINC000004678951 571158474 /nfs/dbraw/zinc/15/84/74/571158474.db2.gz JVUYEOWANZQCKO-UHFFFAOYSA-N 1 0 359.395 5.335 50 0 FKAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(Br)cc3)n2C)cc1C ZINC000004678961 571158613 /nfs/dbraw/zinc/15/86/13/571158613.db2.gz VOTQBRPSRZDAJV-UHFFFAOYSA-N 1 0 370.294 5.079 50 0 FKAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(C(C)C)cc1 ZINC000004679280 571158945 /nfs/dbraw/zinc/15/89/45/571158945.db2.gz FGEUGQFIJZWJBX-UHFFFAOYSA-N 1 0 367.468 5.071 50 0 FKAARO COc1cccc(-c2c[nH+]c(NCc3c(Cl)cccc3Cl)n2C)c1 ZINC000004679287 204153766 /nfs/dbraw/zinc/15/37/66/204153766.db2.gz WWYKRBHPQCTGFX-UHFFFAOYSA-N 1 0 362.260 5.015 50 0 FKAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1c(Cl)cccc1Cl ZINC000004679288 204154202 /nfs/dbraw/zinc/15/42/02/204154202.db2.gz OCSPZJKBDKECFU-UHFFFAOYSA-N 1 0 366.679 5.659 50 0 FKAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1c(Cl)cccc1Cl ZINC000004679289 571158902 /nfs/dbraw/zinc/15/89/02/571158902.db2.gz VZBHVESOQKLZRX-UHFFFAOYSA-N 1 0 350.224 5.145 50 0 FKAARO COc1ccc(-c2c[nH+]c(NCc3c(Cl)cccc3Cl)n2C)cc1 ZINC000004679292 571069217 /nfs/dbraw/zinc/06/92/17/571069217.db2.gz XOSZMIVTARGIBO-UHFFFAOYSA-N 1 0 362.260 5.015 50 0 FKAARO Cc1ccc(-c2c[nH+]c(NCc3c(Cl)cccc3Cl)n2C)cc1C ZINC000004679303 204154533 /nfs/dbraw/zinc/15/45/33/204154533.db2.gz LIVNFYJKIOYUMW-UHFFFAOYSA-N 1 0 360.288 5.623 50 0 FKAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1c(Cl)cccc1Cl ZINC000004679304 571158993 /nfs/dbraw/zinc/15/89/93/571158993.db2.gz CDMQSNAPXOSPLL-UHFFFAOYSA-N 1 0 366.679 5.659 50 0 FKAARO CCCCn1c(-c2ccc(OCC)cc2)c[nH+]c1NCc1ccc(F)cc1 ZINC000004679416 571158977 /nfs/dbraw/zinc/15/89/77/571158977.db2.gz IZBXCUYZTAPXIA-UHFFFAOYSA-N 1 0 367.468 5.500 50 0 FKAARO c1ccc(COc2cccc(C[NH+]3CCC(Cc4ccccc4)CC3)c2)cc1 ZINC000004680675 207038003 /nfs/dbraw/zinc/03/80/03/207038003.db2.gz ZLGHCYBECWIMIE-UHFFFAOYSA-N 1 0 371.524 5.720 50 0 FKAARO CCn1c2ccccc2c2cc(C[NH2+]CCc3ccc(OC)cc3)ccc21 ZINC000004685564 570600700 /nfs/dbraw/zinc/60/07/00/570600700.db2.gz NTZPICZOYUKDSO-UHFFFAOYSA-N 1 0 358.485 5.155 50 0 FKAARO Cc1cc(C[NH+](Cc2cc(C)c(O)c(C)c2)C2CCCCC2)cc(C)c1O ZINC000004686851 571160448 /nfs/dbraw/zinc/16/04/48/571160448.db2.gz DFKXSUNMXDTGDX-UHFFFAOYSA-N 1 0 367.533 5.666 50 0 FKAARO C(=C/c1ccccc1)\C[NH+](C/C=C/c1ccccc1)CCc1ccccc1 ZINC000004699201 571163534 /nfs/dbraw/zinc/16/35/34/571163534.db2.gz DUOSCNPXDRFGLW-XOBNHNQQSA-N 1 0 353.509 5.958 50 0 FKAARO CC[NH+](CC)CCCN(C/C=C/c1ccccc1)C/C=C/c1ccccc1 ZINC000004699216 571163837 /nfs/dbraw/zinc/16/38/37/571163837.db2.gz NGXNAGHFDSKXPZ-GDAWTGGTSA-N 1 0 362.561 5.447 50 0 FKAARO CCCCOCCC[NH+](C/C=C/c1ccccc1)C/C=C/c1ccccc1 ZINC000004699223 571163839 /nfs/dbraw/zinc/16/38/39/571163839.db2.gz IDQUKJSMJVRASN-ODPUSEOTSA-N 1 0 363.545 5.922 50 0 FKAARO Cc1ccc(C[NH+]([C@@H]2CCCc3ccccc32)[C@@H]2CCCc3ccccc32)o1 ZINC000004699254 204156255 /nfs/dbraw/zinc/15/62/55/204156255.db2.gz VPUJLPIELIOCGW-CLJLJLNGSA-N 1 0 371.524 6.545 50 0 FKAARO Cc1ccc(C[N@H+]([C@@H]2CCCc3ccccc32)[C@H]2CCCc3ccccc32)o1 ZINC000004699255 219598668 /nfs/dbraw/zinc/59/86/68/219598668.db2.gz VPUJLPIELIOCGW-WMPKNSHKSA-N 1 0 371.524 6.545 50 0 FKAARO Cc1ccc(C[NH+]([C@H]2CCCc3ccccc32)[C@H]2CCCc3ccccc32)o1 ZINC000004699257 571163814 /nfs/dbraw/zinc/16/38/14/571163814.db2.gz VPUJLPIELIOCGW-UIOOFZCWSA-N 1 0 371.524 6.545 50 0 FKAARO c1ccc(Oc2cccc(CN3CCC([NH+]4CCCCCC4)CC3)c2)cc1 ZINC000004703440 570601729 /nfs/dbraw/zinc/60/17/29/570601729.db2.gz ABOUIJXJWCDZLU-UHFFFAOYSA-N 1 0 364.533 5.319 50 0 FKAARO CCn1c2cc([C@@H]3Nc4ccccc4S3)ccc2[n+](-c2ccccc2)c1C ZINC000004713933 570671122 /nfs/dbraw/zinc/67/11/22/570671122.db2.gz APLMMTJFHJNRJJ-HSZRJFAPSA-N 1 0 372.517 5.463 50 0 FKAARO CCn1c2cc([C@H]3Nc4ccccc4S3)ccc2[n+](-c2ccccc2)c1C ZINC000004713934 219599177 /nfs/dbraw/zinc/59/91/77/219599177.db2.gz APLMMTJFHJNRJJ-QHCPKHFHSA-N 1 0 372.517 5.463 50 0 FKAARO Cc1ccn2c(c1)[nH+]c(CCc1ccccc1)c2NC(C)(C)CC(C)(C)C ZINC000004720359 571072186 /nfs/dbraw/zinc/07/21/86/571072186.db2.gz JPSRIBPNAUPLCZ-UHFFFAOYSA-N 1 0 363.549 6.055 50 0 FKAARO Cc1ccc(-c2noc(C[NH2+]C3CCCCCCCCCCC3)n2)cc1 ZINC000004723554 571168701 /nfs/dbraw/zinc/16/87/01/571168701.db2.gz MOLGLDFFOROMSC-UHFFFAOYSA-N 1 0 355.526 5.808 50 0 FKAARO COc1cc2ccccc2cc1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004724001 204159424 /nfs/dbraw/zinc/15/94/24/204159424.db2.gz YEDUZQUXRTYECW-UHFFFAOYSA-N 1 0 374.484 5.087 50 0 FKAARO Cc1ccc(-c2nc3c(C)cccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733599 571227095 /nfs/dbraw/zinc/22/70/95/571227095.db2.gz DPDZYLNUKGWEFF-UHFFFAOYSA-N 1 0 371.440 5.133 50 0 FKAARO Cc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733604 571227054 /nfs/dbraw/zinc/22/70/54/571227054.db2.gz MOSCLHWZEGPAFL-UHFFFAOYSA-N 1 0 371.440 5.133 50 0 FKAARO Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733648 571227198 /nfs/dbraw/zinc/22/71/98/571227198.db2.gz AEJUAYVNLQYFIR-UHFFFAOYSA-N 1 0 371.440 5.133 50 0 FKAARO CSc1ccc(-c2nc3ccc(C)cn3c2Nc2ccccc2C)cc1 ZINC000004733774 571227206 /nfs/dbraw/zinc/22/72/06/571227206.db2.gz LJZLKRZRJGQVPQ-UHFFFAOYSA-N 1 0 359.498 6.084 50 0 FKAARO Cc1ccccc1Nc1c(-c2ccc(Cl)s2)nc2ccc(Cl)cn21 ZINC000004733802 571227083 /nfs/dbraw/zinc/22/70/83/571227083.db2.gz FPWBWYSHFHLEFQ-UHFFFAOYSA-N 1 0 374.296 6.422 50 0 FKAARO Cc1ccccc1Nc1c(-c2cccc(Cl)c2)nc2ccc(Cl)cn21 ZINC000004733810 571227135 /nfs/dbraw/zinc/22/71/35/571227135.db2.gz YJXQDQOFJOXDEU-UHFFFAOYSA-N 1 0 368.267 6.360 50 0 FKAARO Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccc(Cl)cn32)cc1 ZINC000004735045 571227063 /nfs/dbraw/zinc/22/70/63/571227063.db2.gz ZNZOTGGUFYSENG-UHFFFAOYSA-N 1 0 372.859 6.188 50 0 FKAARO Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004735057 571227177 /nfs/dbraw/zinc/22/71/77/571227177.db2.gz BVZSAFSZFGVCHB-UHFFFAOYSA-N 1 0 357.413 5.090 50 0 FKAARO c1ccc(C2CCC([NH+]3CCC(N4CCc5ccccc5C4)CC3)CC2)cc1 ZINC000004744598 570604714 /nfs/dbraw/zinc/60/47/14/570604714.db2.gz XQEJZONKCRZWJS-UHFFFAOYSA-N 1 0 374.572 5.236 50 0 FKAARO C[N@H+](CC(c1ccccc1)c1ccccc1)CC12CC3CC(CC(C3)C1)C2 ZINC000004746427 207044798 /nfs/dbraw/zinc/04/47/98/207044798.db2.gz CFSHVSKDCATAPZ-UHFFFAOYSA-N 1 0 359.557 5.967 50 0 FKAARO O=C(Nc1sc2c(c1C[NH+]1CCCCCC1)CCC2)c1ccc(F)cc1 ZINC000004748609 204162060 /nfs/dbraw/zinc/16/20/60/204162060.db2.gz CZJUEGOSCVQZLS-UHFFFAOYSA-N 1 0 372.509 5.004 50 0 FKAARO Cc1sc(NC(=O)c2ccc(F)cc2)c(C[N@H+]2CCCC[C@H]2C)c1C ZINC000004748621 207045110 /nfs/dbraw/zinc/04/51/10/207045110.db2.gz PHZVZDISHXLFIK-CYBMUJFWSA-N 1 0 360.498 5.131 50 0 FKAARO CCc1ccc(C[NH+]2CCC(Nc3ccc(Br)cc3)CC2)cc1 ZINC000004749423 219604262 /nfs/dbraw/zinc/60/42/62/219604262.db2.gz IXQLPKOHIPKSRH-UHFFFAOYSA-N 1 0 373.338 5.088 50 0 FKAARO Cc1cccc(Cn2cccc2C[N@@H+](CCC(C)C)Cc2cccc(C)c2)c1 ZINC000004753056 571231449 /nfs/dbraw/zinc/23/14/49/571231449.db2.gz QWJDZRSEGPLKCG-UHFFFAOYSA-N 1 0 374.572 6.202 50 0 FKAARO C1CCC([NH2+]C(C2CCCCC2)(C2CCCCC2)C2CCCCC2)CC1 ZINC000004765021 571131719 /nfs/dbraw/zinc/13/17/19/571131719.db2.gz LHIBXOOQMBBEJB-UHFFFAOYSA-N 1 0 359.642 7.388 50 0 FKAARO C(/C=C/C=C\N1CCCc2ccccc21)=C\C=[N+]1/CCCc2ccccc21 ZINC000004774852 132306037 /nfs/dbraw/zinc/30/60/37/132306037.db2.gz ZNUZCMHUQXFFED-UHFFFAOYSA-N 1 0 355.505 5.427 50 0 FKAARO Cc1ccccc1C[N@@H+](Cc1cccn1Cc1ccccc1F)CC(C)C ZINC000004781123 571235358 /nfs/dbraw/zinc/23/53/58/571235358.db2.gz COMCAEUGUFWXDP-UHFFFAOYSA-N 1 0 364.508 5.642 50 0 FKAARO CC[N@H+](CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000004785644 571236099 /nfs/dbraw/zinc/23/60/99/571236099.db2.gz YQZJWOZCQJLDGZ-RPWUZVMVSA-N 1 0 365.561 5.888 50 0 FKAARO CC[N@H+](CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000004785645 571236162 /nfs/dbraw/zinc/23/61/62/571236162.db2.gz YQZJWOZCQJLDGZ-DNQXCXABSA-N 1 0 365.561 5.888 50 0 FKAARO CC[n+]1c(/C=C/c2ccc(OCc3ccccc3)cc2)ccc2ccccc21 ZINC000004793029 210563753 /nfs/dbraw/zinc/56/37/53/210563753.db2.gz FPEGDLJNIQSGOX-FOWTUZBSSA-N 1 0 366.484 5.897 50 0 FKAARO CC(C)CC[N@H+](Cc1cccn1Cc1ccccc1)Cc1ccccc1F ZINC000004796709 204164232 /nfs/dbraw/zinc/16/42/32/204164232.db2.gz INWLQWAYVXVZPS-UHFFFAOYSA-N 1 0 364.508 5.724 50 0 FKAARO Cc1ccc(-c2cn3c4ccccc4nc3n2CC[NH2+]C2CCCCC2)cc1 ZINC000004806569 207050036 /nfs/dbraw/zinc/05/00/36/207050036.db2.gz WQYSFGWWKKDJGC-UHFFFAOYSA-N 1 0 372.516 5.187 50 0 FKAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OC1CCCC1 ZINC000004810772 207049700 /nfs/dbraw/zinc/04/97/00/207049700.db2.gz UYXQQCYKLWLNGK-UHFFFAOYSA-N 1 0 355.522 5.075 50 0 FKAARO O[C@H](COc1ccccc1Cl)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000004819602 207051527 /nfs/dbraw/zinc/05/15/27/207051527.db2.gz RLVOKSOQHDTMCC-IBGZPJMESA-N 1 0 365.945 5.047 50 0 FKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccccc2)(c2ccc(F)cc2)CCO1 ZINC000004822033 570515285 /nfs/dbraw/zinc/51/52/85/570515285.db2.gz JUGAGURZUCFILE-PKTZIBPZSA-N 1 0 355.497 5.223 50 0 FKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccccc2)(c2ccc(F)cc2)CCO1 ZINC000004822036 204166407 /nfs/dbraw/zinc/16/64/07/204166407.db2.gz JUGAGURZUCFILE-GOTSBHOMSA-N 1 0 355.497 5.223 50 0 FKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccccc2)(c2ccc(F)cc2)CCO1 ZINC000004822043 570515289 /nfs/dbraw/zinc/51/52/89/570515289.db2.gz JUGAGURZUCFILE-DHIUTWEWSA-N 1 0 355.497 5.223 50 0 FKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccccc2)(c2ccc(F)cc2)CCO1 ZINC000004822051 570514954 /nfs/dbraw/zinc/51/49/54/570514954.db2.gz JUGAGURZUCFILE-XZOQPEGZSA-N 1 0 355.497 5.223 50 0 FKAARO CC(=O)c1cccc(OCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000004832162 570609067 /nfs/dbraw/zinc/60/90/67/570609067.db2.gz MKJBRQCQCLEPCU-UHFFFAOYSA-N 1 0 365.517 5.003 50 0 FKAARO CC(=O)c1ccccc1OCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004832261 570609281 /nfs/dbraw/zinc/60/92/81/570609281.db2.gz YKDNYHWOUMXJDV-UHFFFAOYSA-N 1 0 365.517 5.003 50 0 FKAARO CCC(=O)c1ccccc1OCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004832475 570609036 /nfs/dbraw/zinc/60/90/36/570609036.db2.gz MCLUGZKPXGFEFR-UHFFFAOYSA-N 1 0 365.517 5.003 50 0 FKAARO C[C@H]([NH2+]CC[C@@H](Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1 ZINC000004865674 570611299 /nfs/dbraw/zinc/61/12/99/570611299.db2.gz WMXGLVQQFHUUQE-PXNSSMCTSA-N 1 0 353.893 6.000 50 0 FKAARO C[C@@H]([NH2+]CC[C@@H](Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1 ZINC000004865675 207057719 /nfs/dbraw/zinc/05/77/19/207057719.db2.gz WMXGLVQQFHUUQE-XLIONFOSSA-N 1 0 353.893 6.000 50 0 FKAARO C[C@H]([NH2+]CC[C@H](Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1 ZINC000004865676 207057596 /nfs/dbraw/zinc/05/75/96/207057596.db2.gz WMXGLVQQFHUUQE-FXAWDEMLSA-N 1 0 353.893 6.000 50 0 FKAARO C[C@@H]([NH2+]CC[C@H](Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1 ZINC000004865677 570611221 /nfs/dbraw/zinc/61/12/21/570611221.db2.gz WMXGLVQQFHUUQE-YLJYHZDGSA-N 1 0 353.893 6.000 50 0 FKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(Cl)cc2)(c2ccccc2)CCO1 ZINC000004872076 219618143 /nfs/dbraw/zinc/61/81/43/219618143.db2.gz ADNCXHJRTIMDFL-PKTZIBPZSA-N 1 0 371.952 5.737 50 0 FKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(Cl)cc2)(c2ccccc2)CCO1 ZINC000004872077 570553601 /nfs/dbraw/zinc/55/36/01/570553601.db2.gz ADNCXHJRTIMDFL-GOTSBHOMSA-N 1 0 371.952 5.737 50 0 FKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(Cl)cc2)(c2ccccc2)CCO1 ZINC000004872079 570553577 /nfs/dbraw/zinc/55/35/77/570553577.db2.gz ADNCXHJRTIMDFL-DHIUTWEWSA-N 1 0 371.952 5.737 50 0 FKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(Cl)cc2)(c2ccccc2)CCO1 ZINC000004872080 206183924 /nfs/dbraw/zinc/18/39/24/206183924.db2.gz ADNCXHJRTIMDFL-XZOQPEGZSA-N 1 0 371.952 5.737 50 0 FKAARO Cc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)c2ccco2)cc1 ZINC000004872641 207057586 /nfs/dbraw/zinc/05/75/86/207057586.db2.gz PEGLORYKIOVUDR-LAUBAEHRSA-N 1 0 353.893 6.114 50 0 FKAARO Cc1ccc([C@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)c2ccco2)cc1 ZINC000004872642 204171635 /nfs/dbraw/zinc/17/16/35/204171635.db2.gz PEGLORYKIOVUDR-UWJYYQICSA-N 1 0 353.893 6.114 50 0 FKAARO Cc1ccc([C@@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)c2ccco2)cc1 ZINC000004872643 204171324 /nfs/dbraw/zinc/17/13/24/204171324.db2.gz PEGLORYKIOVUDR-DYESRHJHSA-N 1 0 353.893 6.114 50 0 FKAARO Cc1ccc([C@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)c2ccco2)cc1 ZINC000004872645 207057392 /nfs/dbraw/zinc/05/73/92/207057392.db2.gz PEGLORYKIOVUDR-UTKZUKDTSA-N 1 0 353.893 6.114 50 0 FKAARO CCn1c2ccccc2c2cc(C[NH2+]CCc3ccccc3OC)ccc21 ZINC000004891691 207058670 /nfs/dbraw/zinc/05/86/70/207058670.db2.gz ZTQHVCNNYZADAL-UHFFFAOYSA-N 1 0 358.485 5.155 50 0 FKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccccc2F)(c2ccccc2)CCO1 ZINC000004897670 206183065 /nfs/dbraw/zinc/18/30/65/206183065.db2.gz QDDFACYMTXCMLZ-PKTZIBPZSA-N 1 0 355.497 5.223 50 0 FKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccccc2F)(c2ccccc2)CCO1 ZINC000004897672 570556017 /nfs/dbraw/zinc/55/60/17/570556017.db2.gz QDDFACYMTXCMLZ-GOTSBHOMSA-N 1 0 355.497 5.223 50 0 FKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccccc2F)(c2ccccc2)CCO1 ZINC000004897674 570877482 /nfs/dbraw/zinc/87/74/82/570877482.db2.gz QDDFACYMTXCMLZ-DHIUTWEWSA-N 1 0 355.497 5.223 50 0 FKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccccc2F)(c2ccccc2)CCO1 ZINC000004897676 206182864 /nfs/dbraw/zinc/18/28/64/206182864.db2.gz QDDFACYMTXCMLZ-XZOQPEGZSA-N 1 0 355.497 5.223 50 0 FKAARO C[C@H]([NH2+]CC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 ZINC000004898468 207059940 /nfs/dbraw/zinc/05/99/40/207059940.db2.gz KXPJSSIVKJYOLN-SESVDKBCSA-N 1 0 371.590 5.853 50 0 FKAARO C[C@H]([NH2+]CC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 ZINC000004898470 207060190 /nfs/dbraw/zinc/06/01/90/207060190.db2.gz KXPJSSIVKJYOLN-CEWLAPEOSA-N 1 0 371.590 5.853 50 0 FKAARO c1ccc([C@@H]2C3=C(c4ccccc4CC3)[N@H+]3CCO[C@]34CCCC[C@@H]24)cc1 ZINC000004899207 204173480 /nfs/dbraw/zinc/17/34/80/204173480.db2.gz CKZZOIDHUAISOG-ARNLJNQMSA-N 1 0 357.497 5.360 50 0 FKAARO c1ccc([C@@H]2C3=C(c4ccccc4CC3)[N@H+]3CCO[C@]34CCCC[C@H]24)cc1 ZINC000004899209 204173079 /nfs/dbraw/zinc/17/30/79/204173079.db2.gz CKZZOIDHUAISOG-OYRHQHFDSA-N 1 0 357.497 5.360 50 0 FKAARO C[C@H]([NH2+]CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 ZINC000004902988 570612741 /nfs/dbraw/zinc/61/27/41/570612741.db2.gz LOSGSTOVRAKYCY-SXLOBPIMSA-N 1 0 357.563 5.778 50 0 FKAARO C[C@H]([NH2+]CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 ZINC000004903005 204175088 /nfs/dbraw/zinc/17/50/88/204175088.db2.gz LOSGSTOVRAKYCY-DFQSSKMNSA-N 1 0 357.563 5.778 50 0 FKAARO Cc1cc(Cl)c(OCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Br)c1 ZINC000004913891 571213716 /nfs/dbraw/zinc/21/37/16/571213716.db2.gz YAEDUFNYVDYWSJ-KBPBESRZSA-N 1 0 374.750 5.158 50 0 FKAARO Cc1cc(Cl)c(OCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Br)c1 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COc1cc(OC)c(Nc2c3c([nH+]c4ccccc42)CCC3)cc1Cl ZINC000004923583 210581223 /nfs/dbraw/zinc/58/12/23/210581223.db2.gz NEYARGDVHHYALM-UHFFFAOYSA-N 1 0 354.837 5.138 50 0 FKAARO c1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccn2)cc1 ZINC000004935186 570614138 /nfs/dbraw/zinc/61/41/38/570614138.db2.gz WSASRCQDJILRGN-UHFFFAOYSA-N 1 0 354.453 5.104 50 0 FKAARO CCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000004942811 570614409 /nfs/dbraw/zinc/61/44/09/570614409.db2.gz MFQWFCFUAFDMAN-UHFFFAOYSA-N 1 0 371.864 5.201 50 0 FKAARO CCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccccc1Cl ZINC000004942812 570614383 /nfs/dbraw/zinc/61/43/83/570614383.db2.gz MZESSUVGQFEMEV-UHFFFAOYSA-N 1 0 371.864 5.201 50 0 FKAARO CC(C)Cc1ccc([C@@H](C)C(=[NH2+])Nc2ccc(Br)cc2)cc1 ZINC000004955979 204180098 /nfs/dbraw/zinc/18/00/98/204180098.db2.gz LZUSYFXNVMPVQU-CQSZACIVSA-N 1 0 359.311 5.840 50 0 FKAARO CC(C)Cc1ccc([C@H](C)C(=[NH2+])Nc2ccc(Br)cc2)cc1 ZINC000004955983 207066722 /nfs/dbraw/zinc/06/67/22/207066722.db2.gz LZUSYFXNVMPVQU-AWEZNQCLSA-N 1 0 359.311 5.840 50 0 FKAARO Cc1ccc(C)c(N2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)c1 ZINC000004980249 570615808 /nfs/dbraw/zinc/61/58/08/570615808.db2.gz XQPLNMFRMMGWOY-UHFFFAOYSA-N 1 0 368.524 5.197 50 0 FKAARO Cc1cccc(N2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)c1C ZINC000004980859 570615592 /nfs/dbraw/zinc/61/55/92/570615592.db2.gz HHQCELJSSDISEA-UHFFFAOYSA-N 1 0 370.540 5.258 50 0 FKAARO C[C@@H](CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000004981057 570615619 /nfs/dbraw/zinc/61/56/19/570615619.db2.gz BIHXXJVQMPEIFJ-KRWDZBQOSA-N 1 0 362.439 5.021 50 0 FKAARO C[C@H](CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000004981058 570615584 /nfs/dbraw/zinc/61/55/84/570615584.db2.gz BIHXXJVQMPEIFJ-QGZVFWFLSA-N 1 0 362.439 5.021 50 0 FKAARO CCn1c2ccccc2c2cc(C[NH2+]Cc3cc(OC)cc(OC)c3)ccc21 ZINC000004982103 571072927 /nfs/dbraw/zinc/07/29/27/571072927.db2.gz FKZDJYMHNCLRGU-UHFFFAOYSA-N 1 0 374.484 5.121 50 0 FKAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)ccc21 ZINC000004982698 570616208 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C1=CC2(CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c2ccccc21 ZINC000004983957 207069091 /nfs/dbraw/zinc/06/90/91/207069091.db2.gz SOGHUBCYQWVMQT-UHFFFAOYSA-N 1 0 367.492 6.040 50 0 FKAARO Fc1ccc(C2=CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000004986838 204183322 /nfs/dbraw/zinc/18/33/22/204183322.db2.gz NCWRPGBOMNCZDI-UHFFFAOYSA-N 1 0 373.471 5.694 50 0 FKAARO COc1ccc(C[N@H+](CCc2ccccc2)Cc2ccccc2)c(C)c1C ZINC000004987537 207068995 /nfs/dbraw/zinc/06/89/95/207068995.db2.gz QEUWDDWQLQRTHU-UHFFFAOYSA-N 1 0 359.513 5.557 50 0 FKAARO C[N@H+](CCc1ccccc1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004987613 570616680 /nfs/dbraw/zinc/61/66/80/570616680.db2.gz KXPPUNZHTXEZJM-UHFFFAOYSA-N 1 0 353.550 5.662 50 0 FKAARO c1ccc(COc2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000004987737 570616713 /nfs/dbraw/zinc/61/67/13/570616713.db2.gz LXMSALWOSZBQJQ-UHFFFAOYSA-N 1 0 371.524 5.720 50 0 FKAARO COc1ccccc1/C=C/C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000004988414 570616515 /nfs/dbraw/zinc/61/65/15/570616515.db2.gz LXBZLAYQMZMIQH-MHWRWJLKSA-N 1 0 357.497 5.453 50 0 FKAARO COc1cc(C)c(C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1C ZINC000004988479 570616554 /nfs/dbraw/zinc/61/65/54/570616554.db2.gz UQDACAJDXNKPKN-UHFFFAOYSA-N 1 0 359.513 5.557 50 0 FKAARO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)ccc1OCc1ccccc1 ZINC000004988632 570616543 /nfs/dbraw/zinc/61/65/43/570616543.db2.gz IHNCFNGQGGJKIM-YADHBBJMSA-N 1 0 365.517 5.429 50 0 FKAARO COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)ccc1OCc1ccccc1 ZINC000004988634 570616675 /nfs/dbraw/zinc/61/66/75/570616675.db2.gz IHNCFNGQGGJKIM-VXKWHMMOSA-N 1 0 365.517 5.429 50 0 FKAARO CC[N@H+](Cc1ccccc1)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000004988799 570616647 /nfs/dbraw/zinc/61/66/47/570616647.db2.gz CKYDWULQIWQBCW-UHFFFAOYSA-N 1 0 361.485 5.296 50 0 FKAARO Clc1ccc(Oc2cccc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)c2)cc1 ZINC000004988934 207069032 /nfs/dbraw/zinc/06/90/32/207069032.db2.gz RYCRTNPTJUFFBR-GCJKJVERSA-N 1 0 355.909 6.287 50 0 FKAARO Clc1ccc(Oc2cccc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)c2)cc1 ZINC000004988936 570616574 /nfs/dbraw/zinc/61/65/74/570616574.db2.gz RYCRTNPTJUFFBR-AVRDEDQJSA-N 1 0 355.909 6.287 50 0 FKAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000004989496 570616630 /nfs/dbraw/zinc/61/66/30/570616630.db2.gz PYSQGUGELWTMPU-FQEVSTJZSA-N 1 0 359.513 5.525 50 0 FKAARO C[C@H](CCc1ccc(O)cc1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000004989497 204183317 /nfs/dbraw/zinc/18/33/17/204183317.db2.gz PYSQGUGELWTMPU-HXUWFJFHSA-N 1 0 359.513 5.525 50 0 FKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1Cl ZINC000004993567 204183002 /nfs/dbraw/zinc/18/30/02/204183002.db2.gz NPEHNVZQFWCCLE-UHFFFAOYSA-N 1 0 363.288 5.232 50 0 FKAARO O=C(c1ccc(Cl)cc1)[C@H](CC[NH+]1CCCCCC1)c1ccccc1 ZINC000005003909 210590658 /nfs/dbraw/zinc/59/06/58/210590658.db2.gz XNTWQMVSAZGUID-OAQYLSRUSA-N 1 0 355.909 5.573 50 0 FKAARO O=C(c1ccc(Cl)cc1)[C@@H](CC[NH+]1CCCCCC1)c1ccccc1 ZINC000005003910 207071732 /nfs/dbraw/zinc/07/17/32/207071732.db2.gz XNTWQMVSAZGUID-NRFANRHFSA-N 1 0 355.909 5.573 50 0 FKAARO Cc1ccc([C@@](O)(c2ccccc2)c2ccccc2[C@@H](C)[NH+](C)C)c(C)c1 ZINC000005008622 207070444 /nfs/dbraw/zinc/07/04/44/207070444.db2.gz CBZLKJDOSMRWOF-NLFFAJNJSA-N 1 0 359.513 5.210 50 0 FKAARO Cc1ccc([C@](O)(c2ccccc2)c2ccccc2[C@@H](C)[NH+](C)C)c(C)c1 ZINC000005008623 207070746 /nfs/dbraw/zinc/07/07/46/207070746.db2.gz CBZLKJDOSMRWOF-CJFMBICVSA-N 1 0 359.513 5.210 50 0 FKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)c(Cl)cc1OC1CCCC1 ZINC000005013913 570618395 /nfs/dbraw/zinc/61/83/95/570618395.db2.gz NYRCOYJBNCJKQQ-HNNXBMFYSA-N 1 0 359.897 5.521 50 0 FKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)c(Cl)cc1OC1CCCC1 ZINC000005013914 207072434 /nfs/dbraw/zinc/07/24/34/207072434.db2.gz NYRCOYJBNCJKQQ-OAHLLOKOSA-N 1 0 359.897 5.521 50 0 FKAARO Clc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2)c1 ZINC000005013987 204185289 /nfs/dbraw/zinc/18/52/89/204185289.db2.gz KKBQIMGHKUMATP-UHFFFAOYSA-N 1 0 373.887 5.483 50 0 FKAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccc(Cl)cc1 ZINC000005019712 570618324 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207072946 /nfs/dbraw/zinc/07/29/46/207072946.db2.gz YXZPUNVUPNERPS-UHFFFAOYSA-N 1 0 373.905 5.279 50 0 FKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]Cc2ccc(Br)cc2)o1 ZINC000005031676 219642765 /nfs/dbraw/zinc/64/27/65/219642765.db2.gz UWTPZVWOJAINEH-CYBMUJFWSA-N 1 0 350.300 5.197 50 0 FKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2ccc(Br)cc2)o1 ZINC000005031680 207073861 /nfs/dbraw/zinc/07/38/61/207073861.db2.gz UWTPZVWOJAINEH-ZDUSSCGKSA-N 1 0 350.300 5.197 50 0 FKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]CC(c2ccccc2)c2ccccc2)o1 ZINC000005031843 570618765 /nfs/dbraw/zinc/61/87/65/570618765.db2.gz QPTNQRWBOOTNFA-LJQANCHMSA-N 1 0 361.529 6.066 50 0 FKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]CC(c2ccccc2)c2ccccc2)o1 ZINC000005031845 207073770 /nfs/dbraw/zinc/07/37/70/207073770.db2.gz QPTNQRWBOOTNFA-IBGZPJMESA-N 1 0 361.529 6.066 50 0 FKAARO CCC[N@@H+](Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC)CC1CC1 ZINC000005032005 570618730 /nfs/dbraw/zinc/61/87/30/570618730.db2.gz WIEUDOVDDRRZHY-UHFFFAOYSA-N 1 0 363.501 6.039 50 0 FKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH+]2CCN(c3cc(C)ccc3C)CC2)o1 ZINC000005032017 570618804 /nfs/dbraw/zinc/61/88/04/570618804.db2.gz BPLNQIPINUWSMA-IBGZPJMESA-N 1 0 354.538 5.083 50 0 FKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH+]2CCN(c3cc(C)ccc3C)CC2)o1 ZINC000005032021 570618757 /nfs/dbraw/zinc/61/87/57/570618757.db2.gz BPLNQIPINUWSMA-LJQANCHMSA-N 1 0 354.538 5.083 50 0 FKAARO CCOc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1 ZINC000005032394 204186496 /nfs/dbraw/zinc/18/64/96/204186496.db2.gz IIGDNZDUZIYRSX-DEOSSOPVSA-N 1 0 374.528 5.632 50 0 FKAARO CCOc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1 ZINC000005032398 570618748 /nfs/dbraw/zinc/61/87/48/570618748.db2.gz IIGDNZDUZIYRSX-XMMPIXPASA-N 1 0 374.528 5.632 50 0 FKAARO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccc(C(C)C)cc2)[C@@H]3CCC1 ZINC000005032413 570618794 /nfs/dbraw/zinc/61/87/94/570618794.db2.gz LZAVEFJXQWCPBC-RUZDIDTESA-N 1 0 372.556 6.356 50 0 FKAARO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccc(C(C)C)cc2)[C@H]3CCC1 ZINC000005032420 207073335 /nfs/dbraw/zinc/07/33/35/207073335.db2.gz LZAVEFJXQWCPBC-VWLOTQADSA-N 1 0 372.556 6.356 50 0 FKAARO Cc1ccsc1C[N@@H+]1CCCn2c3ccc(C)cc3c3c2[C@H]1CCC3 ZINC000005032423 570618784 /nfs/dbraw/zinc/61/87/84/570618784.db2.gz ZCXISPYYFFWAEN-HXUWFJFHSA-N 1 0 350.531 5.603 50 0 FKAARO Cc1ccsc1C[N@@H+]1CCCn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000005032427 204186578 /nfs/dbraw/zinc/18/65/78/204186578.db2.gz ZCXISPYYFFWAEN-FQEVSTJZSA-N 1 0 350.531 5.603 50 0 FKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccc(C)cc2C)[C@H]3CCC1 ZINC000005032530 570618761 /nfs/dbraw/zinc/61/87/61/570618761.db2.gz SXVAMKQKXMIZMG-DEOSSOPVSA-N 1 0 358.529 5.850 50 0 FKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccc(C)cc2C)[C@@H]3CCC1 ZINC000005032534 570618833 /nfs/dbraw/zinc/61/88/33/570618833.db2.gz SXVAMKQKXMIZMG-XMMPIXPASA-N 1 0 358.529 5.850 50 0 FKAARO Cc1ccc([C@]2(CC[NH2+][C@@H](C)c3cccs3)CCO[C@@H](C(C)C)C2)cc1 ZINC000005032900 207073697 /nfs/dbraw/zinc/07/36/97/207073697.db2.gz CGUCFXKLVWDOLG-XKCSPQBFSA-N 1 0 371.590 5.870 50 0 FKAARO CC[NH+](CC)C/C=C/c1c(F)c(F)c(NCc2ccccc2)c(F)c1F ZINC000005077574 570620760 /nfs/dbraw/zinc/62/07/60/570620760.db2.gz IXQGMSXRQUJQIL-DHZHZOJOSA-N 1 0 366.402 5.210 50 0 FKAARO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC ZINC000005078337 570775475 /nfs/dbraw/zinc/77/54/75/570775475.db2.gz WUQBRQDZASCWEH-JHMRYYBSSA-N 1 0 363.929 5.052 50 0 FKAARO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC ZINC000005078339 571102704 /nfs/dbraw/zinc/10/27/04/571102704.db2.gz WUQBRQDZASCWEH-BUBBNXEVSA-N 1 0 363.929 5.052 50 0 FKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2cccc(C)c2)[C@@H](C)C(C)C)c1 ZINC000005096951 207080524 /nfs/dbraw/zinc/08/05/24/207080524.db2.gz SJVIBWURFPXBDS-QHCPKHFHSA-N 1 0 374.572 6.200 50 0 FKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2cccc(C)c2)[C@H](C)C(C)C)c1 ZINC000005096952 204191623 /nfs/dbraw/zinc/19/16/23/204191623.db2.gz SJVIBWURFPXBDS-HSZRJFAPSA-N 1 0 374.572 6.200 50 0 FKAARO C[NH+](C)CCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 ZINC000005123994 204193426 /nfs/dbraw/zinc/19/34/26/204193426.db2.gz KUGBMOYLIHPSFR-XDOYNYLZSA-N 1 0 371.937 5.054 50 0 FKAARO CCN1C=CC(=C/C=C\c2ccc3ccccc3[n+]2CC)c2ccccc21 ZINC000005128470 535439242 /nfs/dbraw/zinc/43/92/42/535439242.db2.gz ONKAXOHRKIYFDJ-UHFFFAOYSA-N 1 0 353.489 5.598 50 0 FKAARO O[C@]12CCCC[C@@H]1[C@H](c1ccc(F)cc1)[N@H+](C/C=C/c1ccccc1)CC2 ZINC000005192308 570631454 /nfs/dbraw/zinc/63/14/54/570631454.db2.gz WJIDANGHKXCJLA-HJZWWJMASA-N 1 0 365.492 5.207 50 0 FKAARO COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)CCSC(C)(C)C2)cc1 ZINC000005231450 206192403 /nfs/dbraw/zinc/19/24/03/206192403.db2.gz WPEDUDCBRDFYRY-QHCPKHFHSA-N 1 0 369.574 5.419 50 0 FKAARO COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)CCSC(C)(C)C2)cc1 ZINC000005231482 570638103 /nfs/dbraw/zinc/63/81/03/570638103.db2.gz WPEDUDCBRDFYRY-HSZRJFAPSA-N 1 0 369.574 5.419 50 0 FKAARO CCOc1ccc(C[NH2+]CC[C@@H](CCC(C)C)c2ccco2)cc1OC ZINC000005244543 204200191 /nfs/dbraw/zinc/20/01/91/204200191.db2.gz RKRQXBFYMCWNDK-LJQANCHMSA-N 1 0 359.510 5.387 50 0 FKAARO CCOc1ccc(C[NH2+]CC[C@H](CCC(C)C)c2ccco2)cc1OC ZINC000005244548 570639524 /nfs/dbraw/zinc/63/95/24/570639524.db2.gz RKRQXBFYMCWNDK-IBGZPJMESA-N 1 0 359.510 5.387 50 0 FKAARO CC(C)CC[C@H](CC[NH2+][C@@H](C)c1cccs1)[C@@H]1CCOC(C)(C)C1 ZINC000005266746 207090204 /nfs/dbraw/zinc/09/02/04/207090204.db2.gz LUPYCHXACSWWHP-IPMKNSEASA-N 1 0 351.600 6.046 50 0 FKAARO CC(C)CC[C@H](CC[NH2+][C@H](C)c1cccs1)[C@@H]1CCOC(C)(C)C1 ZINC000005266751 204200096 /nfs/dbraw/zinc/20/00/96/204200096.db2.gz LUPYCHXACSWWHP-GUDVDZBRSA-N 1 0 351.600 6.046 50 0 FKAARO CC(C)(C)c1cc(-c2ccc(Br)cc2)cc(C(C)(C)C)[s+]1 ZINC000005284232 207091718 /nfs/dbraw/zinc/09/17/18/207091718.db2.gz PFNUCFRVHUJPNO-UHFFFAOYSA-N 1 0 364.372 7.054 50 0 FKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(Cl)cc2)(CCC(C)C)CCO1 ZINC000005297402 206193236 /nfs/dbraw/zinc/19/32/36/206193236.db2.gz CVNUMWUDLRWDOU-YADHBBJMSA-N 1 0 365.989 6.221 50 0 FKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(Cl)cc2)(CCC(C)C)CCO1 ZINC000005297405 570646271 /nfs/dbraw/zinc/64/62/71/570646271.db2.gz CVNUMWUDLRWDOU-VXKWHMMOSA-N 1 0 365.989 6.221 50 0 FKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(Cl)cc2)(CCC(C)C)CCO1 ZINC000005297408 209442279 /nfs/dbraw/zinc/44/22/79/209442279.db2.gz CVNUMWUDLRWDOU-FGZHOGPDSA-N 1 0 365.989 6.221 50 0 FKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(Cl)cc2)(CCC(C)C)CCO1 ZINC000005297410 570646200 /nfs/dbraw/zinc/64/62/00/570646200.db2.gz CVNUMWUDLRWDOU-FCHUYYIVSA-N 1 0 365.989 6.221 50 0 FKAARO COc1ccc(/C=C/C2=[NH+]c3ccc4ccccc4c3C2(C)C)cc1OC ZINC000005305239 206193843 /nfs/dbraw/zinc/19/38/43/206193843.db2.gz FNCKVYZNLUWVPQ-GXDHUFHOSA-N 1 0 357.453 5.934 50 0 FKAARO COc1cc2c(cc1OC)C[N@H+](Cc1c(C)cc(C(C)(C)C)cc1C)CC2 ZINC000005321763 570648682 /nfs/dbraw/zinc/64/86/82/570648682.db2.gz ZPSQMRZEXBTBFY-UHFFFAOYSA-N 1 0 367.533 5.176 50 0 FKAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1c(Cl)cccc1Cl ZINC000005383664 206239361 /nfs/dbraw/zinc/23/93/61/206239361.db2.gz BVNISHBVPSWGCP-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO C[NH+](C)Cc1ccc(N[C@@H]2c3ccccc3CSc3ccccc32)cc1 ZINC000005393662 570678197 /nfs/dbraw/zinc/67/81/97/570678197.db2.gz YZLWZGWPSLTPEK-HSZRJFAPSA-N 1 0 360.526 5.555 50 0 FKAARO C[NH+](C)Cc1ccc(N[C@H]2c3ccccc3CSc3ccccc32)cc1 ZINC000005393663 570652947 /nfs/dbraw/zinc/65/29/47/570652947.db2.gz YZLWZGWPSLTPEK-QHCPKHFHSA-N 1 0 360.526 5.555 50 0 FKAARO CC(C)C[NH+](CC(C)C)C[C@@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC000005453897 207100364 /nfs/dbraw/zinc/10/03/64/207100364.db2.gz OYCAUCUATIWFIF-OAQYLSRUSA-N 1 0 353.550 5.173 50 0 FKAARO CC(C)C[NH+](CC(C)C)C[C@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC000005453900 207100434 /nfs/dbraw/zinc/10/04/34/207100434.db2.gz OYCAUCUATIWFIF-NRFANRHFSA-N 1 0 353.550 5.173 50 0 FKAARO Cc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 ZINC000005461556 570659351 /nfs/dbraw/zinc/65/93/51/570659351.db2.gz MHVFYFSNWRTKAU-IRLDBZIGSA-N 1 0 373.887 6.144 50 0 FKAARO Cc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 ZINC000005461564 570659364 /nfs/dbraw/zinc/65/93/64/570659364.db2.gz MHVFYFSNWRTKAU-IFMALSPDSA-N 1 0 373.887 6.144 50 0 FKAARO Cc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 ZINC000005461572 570659394 /nfs/dbraw/zinc/65/93/94/570659394.db2.gz MHVFYFSNWRTKAU-RBBKRZOGSA-N 1 0 373.887 6.144 50 0 FKAARO Clc1ccccc1[C@H]1C[C@H](c2ccccc2)n2c3ccccc3nc2N1 ZINC000005461689 570659437 /nfs/dbraw/zinc/65/94/37/570659437.db2.gz HSXOJTIRUURAJV-TZIWHRDSSA-N 1 0 359.860 5.836 50 0 FKAARO Clc1ccccc1[C@@H]1C[C@H](c2ccccc2)n2c3ccccc3nc2N1 ZINC000005461698 570659408 /nfs/dbraw/zinc/65/94/08/570659408.db2.gz HSXOJTIRUURAJV-PZJWPPBQSA-N 1 0 359.860 5.836 50 0 FKAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccco2)c2ccc(F)cc2)cc1 ZINC000005477661 219682505 /nfs/dbraw/zinc/68/25/05/219682505.db2.gz LCVKZCNJUUSFRD-QHCPKHFHSA-N 1 0 367.464 5.518 50 0 FKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccco2)c2ccc(F)cc2)cc1 ZINC000005477662 206195633 /nfs/dbraw/zinc/19/56/33/206195633.db2.gz LCVKZCNJUUSFRD-HSZRJFAPSA-N 1 0 367.464 5.518 50 0 FKAARO COc1ccc([C@@H](CC[NH2+]Cc2ccccc2F)c2ccc(F)cc2)cc1 ZINC000005477770 219682772 /nfs/dbraw/zinc/68/27/72/219682772.db2.gz KQVIYHJSXGPHKZ-QFIPXVFZSA-N 1 0 367.439 5.285 50 0 FKAARO COc1ccc([C@H](CC[NH2+]Cc2ccccc2F)c2ccc(F)cc2)cc1 ZINC000005477771 570661572 /nfs/dbraw/zinc/66/15/72/570661572.db2.gz KQVIYHJSXGPHKZ-JOCHJYFZSA-N 1 0 367.439 5.285 50 0 FKAARO CC[C@]1(C)C[C@@](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 ZINC000005477812 570661537 /nfs/dbraw/zinc/66/15/37/570661537.db2.gz FRRPVDBEADNXFW-WMQCIHAUSA-N 1 0 351.962 6.002 50 0 FKAARO CC[C@]1(C)C[C@](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 ZINC000005477814 207102833 /nfs/dbraw/zinc/10/28/33/207102833.db2.gz FRRPVDBEADNXFW-IOMROCGXSA-N 1 0 351.962 6.002 50 0 FKAARO COc1ccc([C@H](CC[NH2+]Cc2ccc(Cl)cc2)CCC(C)C)cc1 ZINC000005477885 571064976 /nfs/dbraw/zinc/06/49/76/571064976.db2.gz MJWDNTRVQDVXSP-FQEVSTJZSA-N 1 0 359.941 6.048 50 0 FKAARO COc1ccc([C@@H](CC[NH2+]Cc2ccc(Cl)cc2)CCC(C)C)cc1 ZINC000005477886 571065004 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CC1(C)C[C@](CC[NH2+]Cc2ccco2)(Cc2ccccc2Cl)CCO1 ZINC000005478528 570628287 /nfs/dbraw/zinc/62/82/87/570628287.db2.gz ZBENECJIVXXBGM-NRFANRHFSA-N 1 0 361.913 5.231 50 0 FKAARO CC(C)(C)c1cc([C@@H](c2ccncc2)[NH+]2CCCC2)cc(C(C)(C)C)c1O ZINC000005481514 207101707 /nfs/dbraw/zinc/10/17/07/207101707.db2.gz XPKQZVBYMQCQSB-OAQYLSRUSA-N 1 0 366.549 5.567 50 0 FKAARO CC(C)(C)c1cc([C@H](c2ccncc2)[NH+]2CCCC2)cc(C(C)(C)C)c1O ZINC000005481516 570662481 /nfs/dbraw/zinc/66/24/81/570662481.db2.gz XPKQZVBYMQCQSB-NRFANRHFSA-N 1 0 366.549 5.567 50 0 FKAARO COc1ccc2c(c1)CCc1c-2[nH+]c2ccccc2c1N(C(C)C)C(C)C ZINC000005498156 570628484 /nfs/dbraw/zinc/62/84/84/570628484.db2.gz KVQWVZVJKPDOED-UHFFFAOYSA-N 1 0 360.501 5.632 50 0 FKAARO CC(C)Oc1ccc(C[NH2+]CCC(C)(c2ccccc2)c2ccccc2)cc1 ZINC000005499074 570663772 /nfs/dbraw/zinc/66/37/72/570663772.db2.gz KFWQKUVTEVEKHG-UHFFFAOYSA-N 1 0 373.540 5.960 50 0 FKAARO CC(C)CC[C@@H](CC[NH2+][C@@H](C)c1ccccc1)c1ccc(OC(C)C)cc1 ZINC000005499645 206196132 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FKAARO CC(C)CC[C@]1(CC[NH2+]Cc2ccc(Cl)cc2)CCOC(C)(C)C1 ZINC000005518153 570629347 /nfs/dbraw/zinc/62/93/47/570629347.db2.gz IITNGOXQLLLQSD-NRFANRHFSA-N 1 0 351.962 5.831 50 0 FKAARO CC(C)CC[C@@]1(CC[NH2+]Cc2ccc(Cl)cc2)CCOC(C)(C)C1 ZINC000005518155 207104077 /nfs/dbraw/zinc/10/40/77/207104077.db2.gz IITNGOXQLLLQSD-OAQYLSRUSA-N 1 0 351.962 5.831 50 0 FKAARO C[NH+](C)CCNP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000005523621 570666721 /nfs/dbraw/zinc/66/67/21/570666721.db2.gz CGVWBBIXLVWOKZ-UHFFFAOYSA-N 1 0 370.458 5.160 50 0 FKAARO C[N@@H+]1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000005525648 204213285 /nfs/dbraw/zinc/21/32/85/204213285.db2.gz DOGYPPMIZGQYII-HZPDHXFCSA-N 1 0 368.691 5.175 50 0 FKAARO C[N@H+]1C[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000005525670 207103485 /nfs/dbraw/zinc/10/34/85/207103485.db2.gz DOGYPPMIZGQYII-JKSUJKDBSA-N 1 0 368.691 5.175 50 0 FKAARO CN(C)c1ccc(-c2cc(-c3cccs3)[o+]c(-c3cccs3)c2)cc1 ZINC000005569770 571103094 /nfs/dbraw/zinc/10/30/94/571103094.db2.gz WLKNSXUYAQDNCN-UHFFFAOYSA-N 1 0 364.515 6.751 50 0 FKAARO Cc1ccc(-c2cn3c([n+]2-c2ccc(SC(F)F)cc2)CCC3)cc1 ZINC000005570994 219689986 /nfs/dbraw/zinc/68/99/86/219689986.db2.gz KNLGYMCYJUPSES-UHFFFAOYSA-N 1 0 357.449 5.001 50 0 FKAARO FC(F)(F)c1ccc(C[n+]2cn(Cc3ccccc3)c3ccccc32)cc1 ZINC000005572150 207106405 /nfs/dbraw/zinc/10/64/05/207106405.db2.gz XUVFCAOXQWAZBM-UHFFFAOYSA-N 1 0 367.394 5.044 50 0 FKAARO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)ccc1OCc1ccccc1 ZINC000005578098 571214472 /nfs/dbraw/zinc/21/44/72/571214472.db2.gz IHNCFNGQGGJKIM-FGZHOGPDSA-N 1 0 365.517 5.429 50 0 FKAARO Cc1ccc(-c2cn3c([n+]2-c2cccc(C(F)(F)F)c2)CCCCC3)cc1 ZINC000005588047 204217272 /nfs/dbraw/zinc/21/72/72/204217272.db2.gz KZRKWPHIMOLATB-UHFFFAOYSA-N 1 0 371.426 5.485 50 0 FKAARO Cc1ccc2[nH+]c(C)cc(Nc3ccc(I)cc3)c2c1 ZINC000005593300 570679392 /nfs/dbraw/zinc/67/93/92/570679392.db2.gz KDLSKZHSYJGDRO-UHFFFAOYSA-N 1 0 374.225 5.200 50 0 FKAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(Cl)cc3C)c2c1 ZINC000005644750 207110854 /nfs/dbraw/zinc/11/08/54/207110854.db2.gz NEWBGVIDTGGCKN-UHFFFAOYSA-N 1 0 354.837 5.425 50 0 FKAARO COc1ccc2c(c1)CCc1c(NC3CCCCC3)c3ccccc3[nH+]c1-2 ZINC000005671012 570633043 /nfs/dbraw/zinc/63/30/43/570633043.db2.gz PPHJYFSYXRPOMQ-UHFFFAOYSA-N 1 0 358.485 5.754 50 0 FKAARO O=C(O[C@H]1CCCC[C@H]1[NH+]1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000005682236 207112468 /nfs/dbraw/zinc/11/24/68/207112468.db2.gz FFBGIFBVWIAEIA-PKTZIBPZSA-N 1 0 363.501 5.034 50 0 FKAARO O=C(O[C@@H]1CCCC[C@H]1[NH+]1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000005682238 219694938 /nfs/dbraw/zinc/69/49/38/219694938.db2.gz FFBGIFBVWIAEIA-DHIUTWEWSA-N 1 0 363.501 5.034 50 0 FKAARO O=C(O[C@H]1CCCC[C@@H]1[NH+]1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000005682240 570813948 /nfs/dbraw/zinc/81/39/48/570813948.db2.gz FFBGIFBVWIAEIA-GOTSBHOMSA-N 1 0 363.501 5.034 50 0 FKAARO O=C(O[C@@H]1CCCC[C@@H]1[NH+]1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000005682242 207112553 /nfs/dbraw/zinc/11/25/53/207112553.db2.gz FFBGIFBVWIAEIA-XZOQPEGZSA-N 1 0 363.501 5.034 50 0 FKAARO C[NH+](C)CCC[C@]1(c2ccccc2)c2ccccc2CSc2ccccc21 ZINC000005688846 570815212 /nfs/dbraw/zinc/81/52/12/570815212.db2.gz SGWXIRVOTYZZKB-VWLOTQADSA-N 1 0 373.565 5.969 50 0 FKAARO C[NH+](C)CCC[C@@]1(c2ccccc2)c2ccccc2CSc2ccccc21 ZINC000005688860 570815084 /nfs/dbraw/zinc/81/50/84/570815084.db2.gz SGWXIRVOTYZZKB-RUZDIDTESA-N 1 0 373.565 5.969 50 0 FKAARO C[N@@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000005698934 207113511 /nfs/dbraw/zinc/11/35/11/207113511.db2.gz DOGYPPMIZGQYII-CVEARBPZSA-N 1 0 368.691 5.175 50 0 FKAARO CC[n+]1c(/C=C/c2ccc3c(c2)c2ccccc2n3C)ccc2ccccc21 ZINC000005797407 571111991 /nfs/dbraw/zinc/11/19/91/571111991.db2.gz KIEMUNVAMRBZAD-UHFFFAOYSA-N 1 0 363.484 5.963 50 0 FKAARO CCCCOc1ccc(Nc2cc(C)[nH+]c3ccc(C(=O)OC)cc23)cc1 ZINC000005808066 204225580 /nfs/dbraw/zinc/22/55/80/204225580.db2.gz LKZZACQNQRWEKL-UHFFFAOYSA-N 1 0 364.445 5.252 50 0 FKAARO CCCOC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(OCC)cc23)cc1 ZINC000005808124 570969325 /nfs/dbraw/zinc/96/93/25/570969325.db2.gz LFEPKSSSBCUGCX-UHFFFAOYSA-N 1 0 364.445 5.252 50 0 FKAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000005811819 570636686 /nfs/dbraw/zinc/63/66/86/570636686.db2.gz BJTAFVSHOQKRBZ-UHFFFAOYSA-N 1 0 368.480 6.483 50 0 FKAARO CC(C)c1ccc(/C=C2\C[NH2+]C/C(=C\c3ccc(C(C)C)cc3)C2O)cc1 ZINC000005911550 204229752 /nfs/dbraw/zinc/22/97/52/204229752.db2.gz YJOSLGTXJBUDNI-RNIAWFEPSA-N 1 0 361.529 5.365 50 0 FKAARO Cc1sc2nc(-c3cccs3)nc(NCCC[NH2+]C(C)(C)C)c2c1C ZINC000006084927 571118765 /nfs/dbraw/zinc/11/87/65/571118765.db2.gz LIYHRDZTJKHAGC-UHFFFAOYSA-N 1 0 374.579 5.227 50 0 FKAARO Cc1ccc(C)c(NC(=O)[C@H]([NH2+]C2CCCCCCC2)c2ccccc2)c1 ZINC000006086201 571118928 /nfs/dbraw/zinc/11/89/28/571118928.db2.gz IACXPJCORYNWDA-HSZRJFAPSA-N 1 0 364.533 5.686 50 0 FKAARO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+]C2CCCCCCC2)c2ccccc2)c1 ZINC000006086203 571118954 /nfs/dbraw/zinc/11/89/54/571118954.db2.gz IACXPJCORYNWDA-QHCPKHFHSA-N 1 0 364.533 5.686 50 0 FKAARO Cc1ccc([C@]2(CC[NH2+][C@H](C)c3cccs3)CCO[C@H](C(C)C)C2)cc1 ZINC000006173529 570825302 /nfs/dbraw/zinc/82/53/02/570825302.db2.gz CGUCFXKLVWDOLG-UNWVZKJWSA-N 1 0 371.590 5.870 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccccc1Cl ZINC000006207433 204240876 /nfs/dbraw/zinc/24/08/76/204240876.db2.gz ZCHVIXKUHDDCJA-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO CCCCc1ccc(NC(=O)C[NH2+]CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006429827 204248197 /nfs/dbraw/zinc/24/81/97/204248197.db2.gz HSEMFIFCDWYBRQ-UHFFFAOYSA-N 1 0 368.565 5.164 50 0 FKAARO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000006510233 204251332 /nfs/dbraw/zinc/25/13/32/204251332.db2.gz KHVSGMYKERBGDA-CYBMUJFWSA-N 1 0 365.304 5.406 50 0 FKAARO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000006510234 571206088 /nfs/dbraw/zinc/20/60/88/571206088.db2.gz KHVSGMYKERBGDA-ZDUSSCGKSA-N 1 0 365.304 5.406 50 0 FKAARO C[C@H]([NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000006561374 571209752 /nfs/dbraw/zinc/20/97/52/571209752.db2.gz YMQUPXVULWREPF-AWEZNQCLSA-N 1 0 357.831 6.058 50 0 FKAARO C[C@@H]([NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000006561375 571209817 /nfs/dbraw/zinc/20/98/17/571209817.db2.gz YMQUPXVULWREPF-CQSZACIVSA-N 1 0 357.831 6.058 50 0 FKAARO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000006561417 571209769 /nfs/dbraw/zinc/20/97/69/571209769.db2.gz MZJXKJYKYHMJBW-RTBURBONSA-N 1 0 366.549 5.783 50 0 FKAARO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000006561419 571209744 /nfs/dbraw/zinc/20/97/44/571209744.db2.gz MZJXKJYKYHMJBW-RBUKOAKNSA-N 1 0 366.549 5.783 50 0 FKAARO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000006561421 571209823 /nfs/dbraw/zinc/20/98/23/571209823.db2.gz MZJXKJYKYHMJBW-MOPGFXCFSA-N 1 0 366.549 5.783 50 0 FKAARO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000006561422 207146854 /nfs/dbraw/zinc/14/68/54/207146854.db2.gz MZJXKJYKYHMJBW-OALUTQOASA-N 1 0 366.549 5.783 50 0 FKAARO c1c(-c2ccccc2)sc2ncnc(NCCC[NH2+]C3CCCCC3)c12 ZINC000006600110 571211629 /nfs/dbraw/zinc/21/16/29/571211629.db2.gz WGPBUHKBJYHNJO-UHFFFAOYSA-N 1 0 366.534 5.083 50 0 FKAARO CC1(C)CC(Nc2ncnc3sc(-c4ccccc4)cc32)CC(C)(C)[NH2+]1 ZINC000006602688 207149305 /nfs/dbraw/zinc/14/93/05/207149305.db2.gz SPFRNUBNNKKWNZ-UHFFFAOYSA-N 1 0 366.534 5.079 50 0 FKAARO COc1cccc(OCCCCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000006624319 571237421 /nfs/dbraw/zinc/23/74/21/571237421.db2.gz NFDQBOHSSBVHTG-HSZRJFAPSA-N 1 0 368.521 5.257 50 0 FKAARO COc1cccc(OCCCCCC[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000006624320 571237378 /nfs/dbraw/zinc/23/73/78/571237378.db2.gz NFDQBOHSSBVHTG-QHCPKHFHSA-N 1 0 368.521 5.257 50 0 FKAARO Cc1ccc(C(C)C)c(OCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000006624390 571237462 /nfs/dbraw/zinc/23/74/62/571237462.db2.gz YLWNQOPFOUQOMO-JOCHJYFZSA-N 1 0 352.522 5.510 50 0 FKAARO Cc1ccc(C(C)C)c(OCCC[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000006624391 571237386 /nfs/dbraw/zinc/23/73/86/571237386.db2.gz YLWNQOPFOUQOMO-QFIPXVFZSA-N 1 0 352.522 5.510 50 0 FKAARO Cc1ccc(C(C)C)cc1OCCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006624403 206203857 /nfs/dbraw/zinc/20/38/57/206203857.db2.gz ZRRHSIONALPLMM-JOCHJYFZSA-N 1 0 352.522 5.510 50 0 FKAARO Cc1ccc(C(C)C)cc1OCCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000006624404 571237614 /nfs/dbraw/zinc/23/76/14/571237614.db2.gz ZRRHSIONALPLMM-QFIPXVFZSA-N 1 0 352.522 5.510 50 0 FKAARO CCC(=O)c1ccccc1OCCCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006624460 571237640 /nfs/dbraw/zinc/23/76/40/571237640.db2.gz HTCFVNAHTFRWGD-OAQYLSRUSA-N 1 0 366.505 5.061 50 0 FKAARO CCC(=O)c1ccccc1OCCCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000006624461 571160306 /nfs/dbraw/zinc/16/03/06/571160306.db2.gz HTCFVNAHTFRWGD-NRFANRHFSA-N 1 0 366.505 5.061 50 0 FKAARO CC(C)[NH2+][C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000006638866 571237963 /nfs/dbraw/zinc/23/79/63/571237963.db2.gz MZJHAWOTDKNKOP-INIZCTEOSA-N 1 0 370.802 5.037 50 0 FKAARO CC(C)[NH2+][C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000006638871 204257208 /nfs/dbraw/zinc/25/72/08/204257208.db2.gz MZJHAWOTDKNKOP-MRXNPFEDSA-N 1 0 370.802 5.037 50 0 FKAARO C[N@H+](CC(=O)Nc1ccccc1Sc1ccccc1)C1CCCCC1 ZINC000006638999 571238104 /nfs/dbraw/zinc/23/81/04/571238104.db2.gz JFHMZHGXQYAMNI-UHFFFAOYSA-N 1 0 354.519 5.041 50 0 FKAARO CC1(C)C[C@@](CC[NH+]2CCCCC2)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000006661178 210687170 /nfs/dbraw/zinc/68/71/70/210687170.db2.gz LHJQDJDEANOGFB-FQEVSTJZSA-N 1 0 369.471 5.408 50 0 FKAARO CC1(C)C[C@](CC[NH+]2CCCCC2)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000006661179 204260034 /nfs/dbraw/zinc/26/00/34/204260034.db2.gz LHJQDJDEANOGFB-HXUWFJFHSA-N 1 0 369.471 5.408 50 0 FKAARO CCCCC[NH+](CCCCC)CC(=O)Nc1cc(C)nc2ccccc21 ZINC000006663982 571239976 /nfs/dbraw/zinc/23/99/76/571239976.db2.gz MHAQQKBQNDYPLT-UHFFFAOYSA-N 1 0 355.526 5.164 50 0 FKAARO COc1ccc(CC[C@H](C)[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000006667606 570651320 /nfs/dbraw/zinc/65/13/20/570651320.db2.gz QSJUSEFRZAVDFN-NRFANRHFSA-N 1 0 373.540 5.828 50 0 FKAARO COc1ccc(CC[C@@H](C)[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000006667607 570651572 /nfs/dbraw/zinc/65/15/72/570651572.db2.gz QSJUSEFRZAVDFN-OAQYLSRUSA-N 1 0 373.540 5.828 50 0 FKAARO COc1ccc(CC[C@H](C)[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000006667617 210108885 /nfs/dbraw/zinc/10/88/85/210108885.db2.gz GJRPTEZZYDDVJF-AWEZNQCLSA-N 1 0 352.305 5.155 50 0 FKAARO COc1ccc(CC[C@@H](C)[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000006667618 206243196 /nfs/dbraw/zinc/24/31/96/206243196.db2.gz GJRPTEZZYDDVJF-CQSZACIVSA-N 1 0 352.305 5.155 50 0 FKAARO Fc1ccc([C@H](CC[NH2+]Cc2ccccn2)c2ccc(Cl)cc2)cc1 ZINC000006669927 204259129 /nfs/dbraw/zinc/25/91/29/204259129.db2.gz VJAJIMJRYVDRPO-OAQYLSRUSA-N 1 0 354.856 5.186 50 0 FKAARO Fc1ccc([C@@H](CC[NH2+]Cc2ccccn2)c2ccc(Cl)cc2)cc1 ZINC000006669928 207152654 /nfs/dbraw/zinc/15/26/54/207152654.db2.gz VJAJIMJRYVDRPO-NRFANRHFSA-N 1 0 354.856 5.186 50 0 FKAARO Fc1ccc([C@H](CC[NH+]2Cc3ccccc3C2)c2ccc(Cl)cc2)cc1 ZINC000006670326 204259771 /nfs/dbraw/zinc/25/97/71/204259771.db2.gz KUEDFDMOVZBOME-HSZRJFAPSA-N 1 0 365.879 6.017 50 0 FKAARO Fc1ccc([C@@H](CC[NH+]2Cc3ccccc3C2)c2ccc(Cl)cc2)cc1 ZINC000006670327 571240162 /nfs/dbraw/zinc/24/01/62/571240162.db2.gz KUEDFDMOVZBOME-QHCPKHFHSA-N 1 0 365.879 6.017 50 0 FKAARO Clc1ccc(COc2ccccc2C[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000006672245 207154987 /nfs/dbraw/zinc/15/49/87/207154987.db2.gz DFUJHKXJYLBJCG-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccncc2)cc1 ZINC000006672392 570651560 /nfs/dbraw/zinc/65/15/60/570651560.db2.gz YIWQQCNUWXGZLD-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1ccccn1 ZINC000006677921 570651918 /nfs/dbraw/zinc/65/19/18/570651918.db2.gz MXILLRAIPMPEEK-UHFFFAOYSA-N 1 0 372.443 5.243 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccncc3)cc2)c(Cl)c1 ZINC000006704084 204261650 /nfs/dbraw/zinc/26/16/50/204261650.db2.gz DSLGBNKSGUYDCM-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]Cc3ccccn3)c2)c(Cl)c1 ZINC000006704119 570652647 /nfs/dbraw/zinc/65/26/47/570652647.db2.gz FLQMSFZJMODACC-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO FC(F)(F)c1cccc(OCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000006719069 571243186 /nfs/dbraw/zinc/24/31/86/571243186.db2.gz LBTGEWHWZCSNRC-LJQANCHMSA-N 1 0 364.411 5.097 50 0 FKAARO FC(F)(F)c1cccc(OCCC[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000006719070 207155465 /nfs/dbraw/zinc/15/54/65/207155465.db2.gz LBTGEWHWZCSNRC-IBGZPJMESA-N 1 0 364.411 5.097 50 0 FKAARO Clc1ccc(OCCC[N@@H+]2CCCC[C@H]2c2cccnc2)c(Cl)c1 ZINC000006719118 571243327 /nfs/dbraw/zinc/24/33/27/571243327.db2.gz VPBSXDDNAFBEME-SFHVURJKSA-N 1 0 365.304 5.385 50 0 FKAARO Clc1ccc(OCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC000006719119 571243438 /nfs/dbraw/zinc/24/34/38/571243438.db2.gz VPBSXDDNAFBEME-GOSISDBHSA-N 1 0 365.304 5.385 50 0 FKAARO Clc1ccc(SCCCC[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000006719270 571243368 /nfs/dbraw/zinc/24/33/68/571243368.db2.gz KBWHXJPKBSCKRZ-FQEVSTJZSA-N 1 0 360.954 5.835 50 0 FKAARO Clc1ccc(SCCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006719271 571243476 /nfs/dbraw/zinc/24/34/76/571243476.db2.gz KBWHXJPKBSCKRZ-HXUWFJFHSA-N 1 0 360.954 5.835 50 0 FKAARO Clc1cccc(Cl)c1OCCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000006719323 571243313 /nfs/dbraw/zinc/24/33/13/571243313.db2.gz HEVDIZXZUJELDS-SFHVURJKSA-N 1 0 365.304 5.385 50 0 FKAARO CC[C@@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744408 568037126 /nfs/dbraw/zinc/03/71/26/568037126.db2.gz HKKMBPGXGOMUQK-FCHUYYIVSA-N 1 0 357.925 5.207 50 0 FKAARO CC[C@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744413 571244444 /nfs/dbraw/zinc/24/44/44/571244444.db2.gz HKKMBPGXGOMUQK-VXKWHMMOSA-N 1 0 357.925 5.207 50 0 FKAARO CC[C@@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744419 204265414 /nfs/dbraw/zinc/26/54/14/204265414.db2.gz HKKMBPGXGOMUQK-FGZHOGPDSA-N 1 0 357.925 5.207 50 0 FKAARO CC[C@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744421 204265732 /nfs/dbraw/zinc/26/57/32/204265732.db2.gz HKKMBPGXGOMUQK-YADHBBJMSA-N 1 0 357.925 5.207 50 0 FKAARO CCC[C@@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744429 571244438 /nfs/dbraw/zinc/24/44/38/571244438.db2.gz GGDXZZMBEYYXCB-XZOQPEGZSA-N 1 0 371.952 5.597 50 0 FKAARO CCC[C@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744434 207160128 /nfs/dbraw/zinc/16/01/28/207160128.db2.gz GGDXZZMBEYYXCB-GOTSBHOMSA-N 1 0 371.952 5.597 50 0 FKAARO CCC[C@@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744439 207160231 /nfs/dbraw/zinc/16/02/31/207160231.db2.gz GGDXZZMBEYYXCB-DHIUTWEWSA-N 1 0 371.952 5.597 50 0 FKAARO CCC[C@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744443 571244493 /nfs/dbraw/zinc/24/44/93/571244493.db2.gz GGDXZZMBEYYXCB-PKTZIBPZSA-N 1 0 371.952 5.597 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000006751050 207159489 /nfs/dbraw/zinc/15/94/89/207159489.db2.gz DZUCFWDIAODFFG-UHFFFAOYSA-N 1 0 359.498 5.199 50 0 FKAARO Clc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2)cc1 ZINC000006788142 263346928 /nfs/dbraw/zinc/34/69/28/263346928.db2.gz VZFWWCUXNVJUQW-UHFFFAOYSA-N 1 0 373.887 5.483 50 0 FKAARO COc1ccc(CC[NH2+]Cc2c3ccccc3n(C)c2-c2ccccc2)cc1 ZINC000006788181 568043045 /nfs/dbraw/zinc/04/30/45/568043045.db2.gz RJHKTRXMAXYCBF-UHFFFAOYSA-N 1 0 370.496 5.186 50 0 FKAARO C[C@@H](COC1CCCCC1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000006850812 210710454 /nfs/dbraw/zinc/71/04/54/210710454.db2.gz JUMQLZDDBWYNFW-FQEVSTJZSA-N 1 0 351.534 5.536 50 0 FKAARO C[C@H](COC1CCCCC1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000006852871 204276656 /nfs/dbraw/zinc/27/66/56/204276656.db2.gz JUMQLZDDBWYNFW-HXUWFJFHSA-N 1 0 351.534 5.536 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000006857360 207173169 /nfs/dbraw/zinc/17/31/69/207173169.db2.gz CFOJWSLTEZBRKM-UHFFFAOYSA-N 1 0 359.941 6.223 50 0 FKAARO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCCc1ccccc1 ZINC000006857367 204277153 /nfs/dbraw/zinc/27/71/53/204277153.db2.gz VAZKPHMKDFYESD-UHFFFAOYSA-N 1 0 369.549 5.621 50 0 FKAARO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccc(F)cc1 ZINC000006857372 207172707 /nfs/dbraw/zinc/17/27/07/207172707.db2.gz BKUVPBGRFZWIPN-UHFFFAOYSA-N 1 0 373.512 5.718 50 0 FKAARO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccccc1 ZINC000006857377 570655575 /nfs/dbraw/zinc/65/55/75/570655575.db2.gz ZWZSROPFSIFCRH-UHFFFAOYSA-N 1 0 355.522 5.579 50 0 FKAARO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccccc1F ZINC000006857379 207172346 /nfs/dbraw/zinc/17/23/46/207172346.db2.gz OMZDMTYFAKXREN-UHFFFAOYSA-N 1 0 373.512 5.718 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000006857389 204277100 /nfs/dbraw/zinc/27/71/00/204277100.db2.gz LAVYUJBRAFCYTL-UHFFFAOYSA-N 1 0 359.941 6.223 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000006857392 210711000 /nfs/dbraw/zinc/71/10/00/210711000.db2.gz DCYIHGSIZYVWDQ-UHFFFAOYSA-N 1 0 359.941 6.223 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000006857400 570655634 /nfs/dbraw/zinc/65/56/34/570655634.db2.gz CEKMGAYPRBSRPP-UHFFFAOYSA-N 1 0 354.321 6.558 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000006857401 570655690 /nfs/dbraw/zinc/65/56/90/570655690.db2.gz LPWXAZMXTFGCAZ-UHFFFAOYSA-N 1 0 354.321 6.558 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000006857404 219777414 /nfs/dbraw/zinc/77/74/14/219777414.db2.gz AFAJZKSONOCSIK-UHFFFAOYSA-N 1 0 364.327 6.014 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000006857408 570655630 /nfs/dbraw/zinc/65/56/30/570655630.db2.gz LPDWYBOLBWUOTC-UHFFFAOYSA-N 1 0 354.321 6.558 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000006857417 204277531 /nfs/dbraw/zinc/27/75/31/204277531.db2.gz HRNDKPPJNTZNIV-UHFFFAOYSA-N 1 0 359.941 6.223 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000006857421 204277320 /nfs/dbraw/zinc/27/73/20/204277320.db2.gz RSJSYICWEIGPNP-UHFFFAOYSA-N 1 0 359.941 6.223 50 0 FKAARO COc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1ccc(F)cc1 ZINC000006857427 210710142 /nfs/dbraw/zinc/71/01/42/210710142.db2.gz XEAXLGDOXYVYPZ-UHFFFAOYSA-N 1 0 373.512 5.718 50 0 FKAARO COc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1ccccc1 ZINC000006857429 210710953 /nfs/dbraw/zinc/71/09/53/210710953.db2.gz WIGYNVLLOQBJEZ-UHFFFAOYSA-N 1 0 355.522 5.579 50 0 FKAARO COc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1ccccc1F ZINC000006857431 207172641 /nfs/dbraw/zinc/17/26/41/207172641.db2.gz OWRWEWNKFQPFNS-UHFFFAOYSA-N 1 0 373.512 5.718 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000006857437 570655713 /nfs/dbraw/zinc/65/57/13/570655713.db2.gz QHNILWOGKRSZDA-UHFFFAOYSA-N 1 0 359.941 6.223 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000006857441 570655666 /nfs/dbraw/zinc/65/56/66/570655666.db2.gz MJNITTNVSGTZOI-UHFFFAOYSA-N 1 0 359.941 6.223 50 0 FKAARO CCn1c2ccccc2c2cc(C[NH2+]C3C4CC5CC(C4)CC3C5)ccc21 ZINC000006871170 204278727 /nfs/dbraw/zinc/27/87/27/204278727.db2.gz OMNNQUPQPKIPCT-UHFFFAOYSA-N 1 0 358.529 5.729 50 0 FKAARO CC(C)Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000006881514 204279310 /nfs/dbraw/zinc/27/93/10/204279310.db2.gz RAUYZMUVOIBRPG-GOSISDBHSA-N 1 0 352.522 5.298 50 0 FKAARO CC(C)Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000006881515 204279012 /nfs/dbraw/zinc/27/90/12/204279012.db2.gz RAUYZMUVOIBRPG-SFHVURJKSA-N 1 0 352.522 5.298 50 0 FKAARO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1Cl ZINC000006882062 207174941 /nfs/dbraw/zinc/17/49/41/207174941.db2.gz LLPBDEIMDZMMBR-HXUWFJFHSA-N 1 0 356.897 5.060 50 0 FKAARO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1Cl ZINC000006882063 571252937 /nfs/dbraw/zinc/25/29/37/571252937.db2.gz LLPBDEIMDZMMBR-FQEVSTJZSA-N 1 0 356.897 5.060 50 0 FKAARO CC(C)(C)[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000006882483 206243146 /nfs/dbraw/zinc/24/31/46/206243146.db2.gz ZFRHTGUVKPKMGS-UHFFFAOYSA-N 1 0 353.893 5.960 50 0 FKAARO CC(C)(C)[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000006882490 570787094 /nfs/dbraw/zinc/78/70/94/570787094.db2.gz TZLZHUSUZAYTJW-UHFFFAOYSA-N 1 0 353.893 5.960 50 0 FKAARO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000006882507 570787148 /nfs/dbraw/zinc/78/71/48/570787148.db2.gz UWSBXUBUEWHHON-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000006882513 206242867 /nfs/dbraw/zinc/24/28/67/206242867.db2.gz HUUMPMPXMPQDPB-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000006882525 570787382 /nfs/dbraw/zinc/78/73/82/570787382.db2.gz QURFHFDMFGUBCI-UHFFFAOYSA-N 1 0 366.274 5.055 50 0 FKAARO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000006882529 206243028 /nfs/dbraw/zinc/24/30/28/206243028.db2.gz ITESJONAXZLOCY-UHFFFAOYSA-N 1 0 372.723 6.114 50 0 FKAARO CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000006882534 206242887 /nfs/dbraw/zinc/24/28/87/206242887.db2.gz LPXJMSVMLXFCFD-UHFFFAOYSA-N 1 0 366.274 5.055 50 0 FKAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000006882540 570787539 /nfs/dbraw/zinc/78/75/39/570787539.db2.gz GKYNYSXZWKGZJM-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000006882543 570787502 /nfs/dbraw/zinc/78/75/02/570787502.db2.gz WTKJIEDLMULFJJ-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO COc1cccc(C[NH2+]C(C)(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000006882591 219779683 /nfs/dbraw/zinc/77/96/83/219779683.db2.gz QWZSJRURLQPPDW-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO CC(C)C[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000006883518 219779480 /nfs/dbraw/zinc/77/94/80/219779480.db2.gz GCDISOOWHBKXFV-UHFFFAOYSA-N 1 0 353.893 5.818 50 0 FKAARO CC(C)C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000006883525 219779771 /nfs/dbraw/zinc/77/97/71/219779771.db2.gz WNGKDCVKDVXRBG-UHFFFAOYSA-N 1 0 353.893 5.818 50 0 FKAARO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000006883539 206243653 /nfs/dbraw/zinc/24/36/53/206243653.db2.gz XAMGLFZGIPSGSV-UHFFFAOYSA-N 1 0 368.304 5.327 50 0 FKAARO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000006883543 219779810 /nfs/dbraw/zinc/77/98/10/219779810.db2.gz LYGGUVRKCCNPIS-UHFFFAOYSA-N 1 0 368.304 5.327 50 0 FKAARO CC(C)C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000006883560 570787558 /nfs/dbraw/zinc/78/75/58/570787558.db2.gz HRPLNKRGSKJALP-UHFFFAOYSA-N 1 0 372.723 5.971 50 0 FKAARO COc1cc(C[NH2+]CC(C)C)ccc1OCc1c(Cl)cccc1Cl ZINC000006883574 570787451 /nfs/dbraw/zinc/78/74/51/570787451.db2.gz VTQQHTDIQFOEGJ-UHFFFAOYSA-N 1 0 368.304 5.327 50 0 FKAARO COc1cc(C[NH2+]CC(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000006883577 570787456 /nfs/dbraw/zinc/78/74/56/570787456.db2.gz CGDZXNZEEXHIRV-UHFFFAOYSA-N 1 0 368.304 5.327 50 0 FKAARO COc1cc(C[NH2+]CC(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000006883584 206243113 /nfs/dbraw/zinc/24/31/13/206243113.db2.gz ZLLNZVAFEXKGFA-UHFFFAOYSA-N 1 0 368.304 5.327 50 0 FKAARO COc1cccc(C[NH2+]CC(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000006883652 570787414 /nfs/dbraw/zinc/78/74/14/570787414.db2.gz BSQOMAGUDLRLCP-UHFFFAOYSA-N 1 0 368.304 5.327 50 0 FKAARO COc1ccc(C2=C[C@H](c3ccccc3)N3c4ccccc4NC3=[NH+]2)cc1 ZINC000006887000 263348420 /nfs/dbraw/zinc/34/84/20/263348420.db2.gz KXOFJDWDKOSCKH-JOCHJYFZSA-N 1 0 353.425 5.079 50 0 FKAARO COc1ccc(C2=C[C@@H](c3ccccc3)N3c4ccccc4NC3=[NH+]2)cc1 ZINC000006887001 204279631 /nfs/dbraw/zinc/27/96/31/204279631.db2.gz KXOFJDWDKOSCKH-QFIPXVFZSA-N 1 0 353.425 5.079 50 0 FKAARO Cc1cccc(C)c1OC[C@H](C)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000006924869 570657388 /nfs/dbraw/zinc/65/73/88/570657388.db2.gz KOHADXOJBXMRAQ-QFIPXVFZSA-N 1 0 373.540 5.883 50 0 FKAARO c1ccc(NC([NH2+]C2CCCCC2)=C(c2ccccc2)c2ccccc2)cc1 ZINC000006995484 571256591 /nfs/dbraw/zinc/25/65/91/571256591.db2.gz JUXXIHKBAVUBJR-UHFFFAOYSA-N 1 0 368.524 6.438 50 0 FKAARO CN1CC2=C([NH+]=C1SCc1ccccc1)c1ccccc1CC21CCCC1 ZINC000006996308 219786170 /nfs/dbraw/zinc/78/61/70/219786170.db2.gz XOBPCHZHQZBLPX-UHFFFAOYSA-N 1 0 374.553 5.749 50 0 FKAARO CCC[C@H]([NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000007003020 571256949 /nfs/dbraw/zinc/25/69/49/571256949.db2.gz MKNACGOTWMNWRG-QFIPXVFZSA-N 1 0 351.469 5.259 50 0 FKAARO CCC[C@@H]([NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000007003021 571256963 /nfs/dbraw/zinc/25/69/63/571256963.db2.gz MKNACGOTWMNWRG-JOCHJYFZSA-N 1 0 351.469 5.259 50 0 FKAARO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000007017034 571257290 /nfs/dbraw/zinc/25/72/90/571257290.db2.gz SACHGKCQKLFKAE-UHFFFAOYSA-N 1 0 368.480 5.228 50 0 FKAARO c1ccc(C(OCC[NH2+]C2C3CC4CC(C3)CC2C4)c2ccccc2)cc1 ZINC000007078282 571260684 /nfs/dbraw/zinc/26/06/84/571260684.db2.gz PEPDBDGNCSKXKB-UHFFFAOYSA-N 1 0 361.529 5.207 50 0 FKAARO CCCCCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000007260949 570661975 /nfs/dbraw/zinc/66/19/75/570661975.db2.gz FEPGYSAJRYTTDV-UHFFFAOYSA-N 1 0 365.492 6.228 50 0 FKAARO CCCCCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000007260953 570661919 /nfs/dbraw/zinc/66/19/19/570661919.db2.gz RBFKEXXLXFJFBY-UHFFFAOYSA-N 1 0 365.492 6.228 50 0 FKAARO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000007260976 204293232 /nfs/dbraw/zinc/29/32/32/204293232.db2.gz YKDAMAHYQNUQRF-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO CCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000007260992 570662053 /nfs/dbraw/zinc/66/20/53/570662053.db2.gz GCLKBXIPBPRJEA-UHFFFAOYSA-N 1 0 366.332 6.242 50 0 FKAARO CCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000007260999 570661910 /nfs/dbraw/zinc/66/19/10/570661910.db2.gz XLJSDMRCVMQYAZ-UHFFFAOYSA-N 1 0 366.332 6.242 50 0 FKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000007261011 204292308 /nfs/dbraw/zinc/29/23/08/204292308.db2.gz JWKCOSPBSLUXLH-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO CCCCCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000007261017 207192417 /nfs/dbraw/zinc/19/24/17/207192417.db2.gz NTTNUEWGCUEQEV-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000007261020 204292973 /nfs/dbraw/zinc/29/29/73/204292973.db2.gz UBODKEYZVAHBQV-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000007261039 570661898 /nfs/dbraw/zinc/66/18/98/570661898.db2.gz YLHFPTFSYMMRLD-UHFFFAOYSA-N 1 0 366.332 6.242 50 0 FKAARO CCCCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000007261069 204293236 /nfs/dbraw/zinc/29/32/36/204293236.db2.gz UPYYPVVMMGKCCL-UHFFFAOYSA-N 1 0 366.332 6.242 50 0 FKAARO CCCCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000007261076 207192348 /nfs/dbraw/zinc/19/23/48/207192348.db2.gz IDSQVCRVYSSCGM-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO CCCCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000007261081 204293312 /nfs/dbraw/zinc/29/33/12/204293312.db2.gz AEGGZWIQOLFPDQ-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO CCCCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000007261088 207192279 /nfs/dbraw/zinc/19/22/79/207192279.db2.gz TWANTWCDFFWVIV-UHFFFAOYSA-N 1 0 366.332 6.242 50 0 FKAARO CCCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000007261215 204292897 /nfs/dbraw/zinc/29/28/97/204292897.db2.gz AKHLBQFTXOMSJJ-UHFFFAOYSA-N 1 0 367.920 6.352 50 0 FKAARO CCCCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000007261216 570661861 /nfs/dbraw/zinc/66/18/61/570661861.db2.gz FVCYLMUYJQTCNF-UHFFFAOYSA-N 1 0 351.465 5.838 50 0 FKAARO CCCCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000007261219 204293147 /nfs/dbraw/zinc/29/31/47/204293147.db2.gz QYBXQZYXDAYWAM-UHFFFAOYSA-N 1 0 367.920 6.352 50 0 FKAARO CCCCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000007261220 207192831 /nfs/dbraw/zinc/19/28/31/207192831.db2.gz WZHSOAPWUICJGN-UHFFFAOYSA-N 1 0 351.465 5.838 50 0 FKAARO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000007261242 207192826 /nfs/dbraw/zinc/19/28/26/207192826.db2.gz KCAUGZFBWCXVBF-UHFFFAOYSA-N 1 0 365.876 5.347 50 0 FKAARO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000007261246 219798246 /nfs/dbraw/zinc/79/82/46/219798246.db2.gz DJJUOGMZFBGFDI-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000007261249 207192238 /nfs/dbraw/zinc/19/22/38/207192238.db2.gz RCBJKKWJGDBBKN-UHFFFAOYSA-N 1 0 365.876 5.347 50 0 FKAARO CCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000007261263 570662016 /nfs/dbraw/zinc/66/20/16/570662016.db2.gz KOVVADGAEFLFKJ-UHFFFAOYSA-N 1 0 352.305 5.852 50 0 FKAARO CCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000007261267 570790012 /nfs/dbraw/zinc/79/00/12/570790012.db2.gz XNMTVEAGPAXKGT-UHFFFAOYSA-N 1 0 362.311 5.308 50 0 FKAARO CCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000007261270 207192793 /nfs/dbraw/zinc/19/27/93/207192793.db2.gz VNMYZEWLSNVMAK-UHFFFAOYSA-N 1 0 352.305 5.852 50 0 FKAARO CCCCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000007261278 207191976 /nfs/dbraw/zinc/19/19/76/207191976.db2.gz SUJYQEXTEWQXHG-UHFFFAOYSA-N 1 0 365.876 5.347 50 0 FKAARO CCCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000007261284 570661994 /nfs/dbraw/zinc/66/19/94/570661994.db2.gz AMRVSQNZZNGRLY-UHFFFAOYSA-N 1 0 365.876 5.347 50 0 FKAARO CCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000007261296 570661991 /nfs/dbraw/zinc/66/19/91/570661991.db2.gz DSYGQYMEKYGDSB-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO CCCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OCC)c1 ZINC000007261299 570662095 /nfs/dbraw/zinc/66/20/95/570662095.db2.gz REXNIEJABJIFQO-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO CCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000007261308 204293129 /nfs/dbraw/zinc/29/31/29/204293129.db2.gz UMYDFYRJZLYJJI-UHFFFAOYSA-N 1 0 352.305 5.852 50 0 FKAARO CCCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000007261337 204292884 /nfs/dbraw/zinc/29/28/84/204292884.db2.gz WEPFUQZIPFZGAO-UHFFFAOYSA-N 1 0 352.305 5.852 50 0 FKAARO CCCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000007261355 570661950 /nfs/dbraw/zinc/66/19/50/570661950.db2.gz ZBMBGXIZYOJQFJ-UHFFFAOYSA-N 1 0 352.305 5.852 50 0 FKAARO CCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000007261612 207191892 /nfs/dbraw/zinc/19/18/92/207191892.db2.gz BHZBIWIUKQSKBR-UHFFFAOYSA-N 1 0 353.893 5.962 50 0 FKAARO CCCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000007261616 570661959 /nfs/dbraw/zinc/66/19/59/570661959.db2.gz UUDVJYQEAFLAHH-UHFFFAOYSA-N 1 0 353.893 5.962 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000007261634 219798206 /nfs/dbraw/zinc/79/82/06/219798206.db2.gz MJTAKOZKXHDTAN-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000007261637 204292863 /nfs/dbraw/zinc/29/28/63/204292863.db2.gz HQQSBCZHGYZISH-UHFFFAOYSA-N 1 0 365.876 5.347 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000007261642 207192624 /nfs/dbraw/zinc/19/26/24/207192624.db2.gz JKUUNAGPGYOWCR-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 ZINC000007261645 570661981 /nfs/dbraw/zinc/66/19/81/570661981.db2.gz GWEMRPUOBDOBJB-UHFFFAOYSA-N 1 0 365.876 5.347 50 0 FKAARO CCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000007261658 570661936 /nfs/dbraw/zinc/66/19/36/570661936.db2.gz LDQTUSFXZGDGRQ-UHFFFAOYSA-N 1 0 366.274 5.057 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000007261661 570661962 /nfs/dbraw/zinc/66/19/62/570661962.db2.gz RGMZYUUKGATUNS-UHFFFAOYSA-N 1 0 372.723 6.116 50 0 FKAARO CCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000007261665 570662061 /nfs/dbraw/zinc/66/20/61/570662061.db2.gz DMWVXABQECIICS-UHFFFAOYSA-N 1 0 366.274 5.057 50 0 FKAARO CCCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000007261671 570662099 /nfs/dbraw/zinc/66/20/99/570662099.db2.gz VGFBEMWGFLNELC-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000007261673 570662076 /nfs/dbraw/zinc/66/20/76/570662076.db2.gz GPMQSGSCOVMGMK-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000007261677 207191849 /nfs/dbraw/zinc/19/18/49/207191849.db2.gz WJPGXIMLLBEHFJ-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000007261733 204292392 /nfs/dbraw/zinc/29/23/92/204292392.db2.gz GODFWITVOIWCSP-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000007262294 209509341 /nfs/dbraw/zinc/50/93/41/209509341.db2.gz NGXSPGZCFAKRJB-UHFFFAOYSA-N 1 0 374.311 6.225 50 0 FKAARO CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000007262319 209510393 /nfs/dbraw/zinc/51/03/93/209510393.db2.gz SKWPWWWLJIXMKD-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000007262320 207192620 /nfs/dbraw/zinc/19/26/20/207192620.db2.gz XUSULIMZSYKPOE-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000007262327 219798005 /nfs/dbraw/zinc/79/80/05/219798005.db2.gz AJZVFNWGDPTADA-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000007262328 570661903 /nfs/dbraw/zinc/66/19/03/570661903.db2.gz KYQIWECKLAUJLD-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000007262339 571191526 /nfs/dbraw/zinc/19/15/26/571191526.db2.gz UYGMZZPRWQGMLY-UHFFFAOYSA-N 1 0 368.702 5.181 50 0 FKAARO CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000007262344 570790024 /nfs/dbraw/zinc/79/00/24/570790024.db2.gz KAUNVRRRROKUOA-UHFFFAOYSA-N 1 0 358.696 5.725 50 0 FKAARO CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000007262346 570790058 /nfs/dbraw/zinc/79/00/58/570790058.db2.gz MZQQVHUVJREKLS-UHFFFAOYSA-N 1 0 368.702 5.181 50 0 FKAARO CCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000007262353 209510341 /nfs/dbraw/zinc/51/03/41/209510341.db2.gz RQFUGUHYYIJSKY-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000007262355 206245367 /nfs/dbraw/zinc/24/53/67/206245367.db2.gz RGCRAORYGHPCBZ-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000007262370 570789918 /nfs/dbraw/zinc/78/99/18/570789918.db2.gz MPDDGYZNZDGEOX-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000007262407 570790039 /nfs/dbraw/zinc/79/00/39/570790039.db2.gz KYMLOYYMLCNKIS-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCC(Cc4ccccc4)CC3)o2)c1 ZINC000007341739 571264523 /nfs/dbraw/zinc/26/45/23/571264523.db2.gz KLUHKCJYXRAYFH-GOSISDBHSA-N 1 0 361.489 5.061 50 0 FKAARO Cc1cccc(-c2nnc([C@H](C)[NH+]3CCC(Cc4ccccc4)CC3)o2)c1 ZINC000007341740 204294962 /nfs/dbraw/zinc/29/49/62/204294962.db2.gz KLUHKCJYXRAYFH-SFHVURJKSA-N 1 0 361.489 5.061 50 0 FKAARO CCOc1c(Br)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1OC ZINC000007521150 206244856 /nfs/dbraw/zinc/24/48/56/206244856.db2.gz QEEORMHMUMADFZ-UHFFFAOYSA-N 1 0 372.347 5.161 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Br)c1OC ZINC000007521337 204298788 /nfs/dbraw/zinc/29/87/88/204298788.db2.gz CHFKTBMOICTFBI-UHFFFAOYSA-N 1 0 372.347 5.161 50 0 FKAARO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1cccc(C)c1 ZINC000007521430 207197697 /nfs/dbraw/zinc/19/76/97/207197697.db2.gz ZOCNZSGNTFICHK-UHFFFAOYSA-N 1 0 369.549 5.887 50 0 FKAARO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccc(C)cc1 ZINC000007521487 219808110 /nfs/dbraw/zinc/80/81/10/219808110.db2.gz IUGYAGJHUNQHJF-UHFFFAOYSA-N 1 0 369.549 5.887 50 0 FKAARO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccccc1C ZINC000007521531 207198515 /nfs/dbraw/zinc/19/85/15/207198515.db2.gz VBLCWZHQDMPUPX-UHFFFAOYSA-N 1 0 369.549 5.887 50 0 FKAARO Clc1ccc(COc2ccccc2C[NH2+]C2CCCCCCC2)cc1 ZINC000007522042 207197930 /nfs/dbraw/zinc/19/79/30/207197930.db2.gz DNZJSWCRNNQDDL-UHFFFAOYSA-N 1 0 357.925 6.122 50 0 FKAARO Clc1ccccc1COc1ccccc1C[NH2+]C1CCCCCCC1 ZINC000007522077 207197503 /nfs/dbraw/zinc/19/75/03/207197503.db2.gz RFZXJLFGJZKXHT-UHFFFAOYSA-N 1 0 357.925 6.122 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]C3CCCCCCC3)cc2)cc1 ZINC000007522207 207198539 /nfs/dbraw/zinc/19/85/39/207198539.db2.gz NIIJDTIPNBFQMM-UHFFFAOYSA-N 1 0 357.925 6.122 50 0 FKAARO Clc1ccccc1COc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000007522252 570665423 /nfs/dbraw/zinc/66/54/23/570665423.db2.gz HESUHDGXDSOULD-UHFFFAOYSA-N 1 0 357.925 6.122 50 0 FKAARO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccccc1 ZINC000007522330 570665386 /nfs/dbraw/zinc/66/53/86/570665386.db2.gz HTVSZMYFQWBTEA-UHFFFAOYSA-N 1 0 353.506 5.477 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCCCC2)c1OCc1ccccc1 ZINC000007522487 526012137 /nfs/dbraw/zinc/01/21/37/526012137.db2.gz XJOHRGJJDDTHQL-UHFFFAOYSA-N 1 0 353.506 5.477 50 0 FKAARO c1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCCCC2)cc1 ZINC000007522639 570665350 /nfs/dbraw/zinc/66/53/50/570665350.db2.gz YPKIGWLDTKUAMS-UHFFFAOYSA-N 1 0 373.540 6.621 50 0 FKAARO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccc(F)cc1 ZINC000007522905 204299010 /nfs/dbraw/zinc/29/90/10/204299010.db2.gz JWVYHVNPQHRBJV-UHFFFAOYSA-N 1 0 371.496 5.616 50 0 FKAARO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccccc1F ZINC000007522930 207198277 /nfs/dbraw/zinc/19/82/77/207198277.db2.gz JQAMPIUSPRGMHX-UHFFFAOYSA-N 1 0 371.496 5.616 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCCCC2)c1OCc1ccccc1F ZINC000007523040 204299779 /nfs/dbraw/zinc/29/97/79/204299779.db2.gz 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Cc1ccc([C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)c2ccccc2)cc1 ZINC000007984405 204312921 /nfs/dbraw/zinc/31/29/21/204312921.db2.gz CNKKUALOXYRRLC-DEOSSOPVSA-N 1 0 353.469 5.060 50 0 FKAARO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000008126702 571359169 /nfs/dbraw/zinc/35/91/69/571359169.db2.gz KWJRQOOZJRWYEU-OAQYLSRUSA-N 1 0 350.506 5.066 50 0 FKAARO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000008126705 571359132 /nfs/dbraw/zinc/35/91/32/571359132.db2.gz KWJRQOOZJRWYEU-NRFANRHFSA-N 1 0 350.506 5.066 50 0 FKAARO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008127088 571359203 /nfs/dbraw/zinc/35/92/03/571359203.db2.gz LYGGGMNDRGRIHY-AWEZNQCLSA-N 1 0 370.855 5.091 50 0 FKAARO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008127092 571359226 /nfs/dbraw/zinc/35/92/26/571359226.db2.gz LYGGGMNDRGRIHY-CQSZACIVSA-N 1 0 370.855 5.091 50 0 FKAARO CC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008227110 204322931 /nfs/dbraw/zinc/32/29/31/204322931.db2.gz ANZMXRSYTNLYMO-UHFFFAOYSA-N 1 0 360.284 5.835 50 0 FKAARO CC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000008227173 204322850 /nfs/dbraw/zinc/32/28/50/204322850.db2.gz HRIOOGKJURLQJO-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008227183 206246046 /nfs/dbraw/zinc/24/60/46/206246046.db2.gz KNVPBAIZLSEYPG-UHFFFAOYSA-N 1 0 374.695 5.344 50 0 FKAARO CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000008227190 207224619 /nfs/dbraw/zinc/22/46/19/207224619.db2.gz NUQWVIVAWQPXCU-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000008227267 570794066 /nfs/dbraw/zinc/79/40/66/570794066.db2.gz JHIJEVACVWOFJX-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCOCCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008253123 207226092 /nfs/dbraw/zinc/22/60/92/207226092.db2.gz IDFKTDIIIWNKRL-UHFFFAOYSA-N 1 0 367.464 5.074 50 0 FKAARO CCOCCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000008253127 570679035 /nfs/dbraw/zinc/67/90/35/570679035.db2.gz KFODMDFVMIUMFP-UHFFFAOYSA-N 1 0 367.464 5.074 50 0 FKAARO CCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008253159 570678901 /nfs/dbraw/zinc/67/89/01/570678901.db2.gz GLZRRXKLZYOZKP-UHFFFAOYSA-N 1 0 368.304 5.089 50 0 FKAARO CCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008253164 570679046 /nfs/dbraw/zinc/67/90/46/570679046.db2.gz JLBBKZFVSRUFKM-UHFFFAOYSA-N 1 0 368.304 5.089 50 0 FKAARO CCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008253190 570678895 /nfs/dbraw/zinc/67/88/95/570678895.db2.gz HOABTGOWAWRLRH-UHFFFAOYSA-N 1 0 368.304 5.089 50 0 FKAARO CCOCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008253196 570678892 /nfs/dbraw/zinc/67/88/92/570678892.db2.gz FRKRIIHNJXBTOY-UHFFFAOYSA-N 1 0 368.304 5.089 50 0 FKAARO CCOCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008253213 204323330 /nfs/dbraw/zinc/32/33/30/204323330.db2.gz LWWNNZICEJFDPZ-UHFFFAOYSA-N 1 0 368.304 5.089 50 0 FKAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000008253406 570679000 /nfs/dbraw/zinc/67/90/00/570679000.db2.gz IKNNOGYUBSKTHT-UHFFFAOYSA-N 1 0 354.321 5.451 50 0 FKAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000008253408 570679042 /nfs/dbraw/zinc/67/90/42/570679042.db2.gz FUFOXKSZJZYVIL-UHFFFAOYSA-N 1 0 354.321 5.306 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OCC ZINC000008253813 207226066 /nfs/dbraw/zinc/22/60/66/207226066.db2.gz ZKNGULJBEGUQGR-UHFFFAOYSA-N 1 0 370.331 5.059 50 0 FKAARO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC ZINC000008253866 204323792 /nfs/dbraw/zinc/32/37/92/204323792.db2.gz HYLAWELTJQWUKK-UHFFFAOYSA-N 1 0 363.929 5.196 50 0 FKAARO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCC ZINC000008253868 210777364 /nfs/dbraw/zinc/77/73/64/210777364.db2.gz AGXZRPJTIXXWBB-UHFFFAOYSA-N 1 0 363.929 5.052 50 0 FKAARO CCOc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OCC ZINC000008253905 207225834 /nfs/dbraw/zinc/22/58/34/207225834.db2.gz ARKUVZJTDKLPMO-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCOc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253941 570679026 /nfs/dbraw/zinc/67/90/26/570679026.db2.gz TVSKTFFYFKHWPZ-UHFFFAOYSA-N 1 0 366.288 5.223 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008253983 204324280 /nfs/dbraw/zinc/32/42/80/204324280.db2.gz KSRNZRINKJXQRX-UHFFFAOYSA-N 1 0 365.876 5.345 50 0 FKAARO CCOc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008253990 570678898 /nfs/dbraw/zinc/67/88/98/570678898.db2.gz LNWWLSOEIHKUMY-UHFFFAOYSA-N 1 0 365.876 5.202 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccccc1 ZINC000008254060 219856173 /nfs/dbraw/zinc/85/61/73/219856173.db2.gz WQANVPFSUVYPML-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccccc1F ZINC000008254145 207226248 /nfs/dbraw/zinc/22/62/48/207226248.db2.gz DMBZMVXSKCDODN-UHFFFAOYSA-N 1 0 365.876 5.345 50 0 FKAARO CCOc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccccc1F ZINC000008254154 204323974 /nfs/dbraw/zinc/32/39/74/204323974.db2.gz WAECGTKXXMVMIP-UHFFFAOYSA-N 1 0 365.876 5.202 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000008254513 210777023 /nfs/dbraw/zinc/77/70/23/210777023.db2.gz LHAKEXPWBZIJMY-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000008254515 210777643 /nfs/dbraw/zinc/77/76/43/210777643.db2.gz MLZRUAOAAORGEB-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO CCOc1cc(C[NH2+]C2CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254567 219855371 /nfs/dbraw/zinc/85/53/71/219855371.db2.gz YLZDASXLRHDYHX-UHFFFAOYSA-N 1 0 366.288 5.223 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccccc1 ZINC000008254604 219855746 /nfs/dbraw/zinc/85/57/46/219855746.db2.gz QTHBCJITXTWTFC-UHFFFAOYSA-N 1 0 369.549 5.969 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccccc1 ZINC000008254615 207226719 /nfs/dbraw/zinc/22/67/19/207226719.db2.gz QPDCTLUZZBAQAB-UHFFFAOYSA-N 1 0 353.506 5.477 50 0 FKAARO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000008254654 570678886 /nfs/dbraw/zinc/67/88/86/570678886.db2.gz RFVBQYFGJRBPRD-UHFFFAOYSA-N 1 0 365.448 5.093 50 0 FKAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccccc1 ZINC000008254660 570679053 /nfs/dbraw/zinc/67/90/53/570679053.db2.gz YWWRYRQZGSTYKX-IBGZPJMESA-N 1 0 361.485 5.515 50 0 FKAARO CCOc1cc(C[NH2+]Cc2ccccc2F)ccc1OCc1ccccc1 ZINC000008324802 204326763 /nfs/dbraw/zinc/32/67/63/204326763.db2.gz MXZLNRZEAWUNGN-UHFFFAOYSA-N 1 0 365.448 5.093 50 0 FKAARO CCOc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1OCC ZINC000008324846 570680273 /nfs/dbraw/zinc/68/02/73/570680273.db2.gz FYIZGXROMGTPAC-FKANHJMESA-N 1 0 357.538 5.323 50 0 FKAARO CCOc1ccc2ccccc2c1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000008325060 219859385 /nfs/dbraw/zinc/85/93/85/219859385.db2.gz NJBIKVFFQUZCBV-VJMWJIOOSA-N 1 0 363.545 6.077 50 0 FKAARO CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccccc1 ZINC000008325526 570680304 /nfs/dbraw/zinc/68/03/04/570680304.db2.gz NKWDPQRXXKNNSL-IBGZPJMESA-N 1 0 361.485 5.515 50 0 FKAARO CCOc1cccc(C[NH2+][C@H](C)c2ccccc2)c1OCc1ccccc1 ZINC000008325531 204325688 /nfs/dbraw/zinc/32/56/88/204325688.db2.gz NKWDPQRXXKNNSL-LJQANCHMSA-N 1 0 361.485 5.515 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000008325866 207228415 /nfs/dbraw/zinc/22/84/15/207228415.db2.gz FJKRLZTZGCXJCM-MRXNPFEDSA-N 1 0 353.893 5.960 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000008325871 204325671 /nfs/dbraw/zinc/32/56/71/204325671.db2.gz ZORQZELOXQEMRH-MRXNPFEDSA-N 1 0 353.893 5.960 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008325901 207228930 /nfs/dbraw/zinc/22/89/30/207228930.db2.gz MOVFBOJPTIDGHZ-CYBMUJFWSA-N 1 0 368.304 5.469 50 0 FKAARO CCOc1cc(C[NH2+][C@H](C)CC)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008325905 210782188 /nfs/dbraw/zinc/78/21/88/210782188.db2.gz SADQJUMLBHDZBA-CQSZACIVSA-N 1 0 365.876 5.345 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008325911 570680325 /nfs/dbraw/zinc/68/03/25/570680325.db2.gz PYKGEQJIGCKJJD-CYBMUJFWSA-N 1 0 368.304 5.469 50 0 FKAARO CCOc1cc(C[NH2+][C@H](C)CC)cc(Cl)c1OCc1ccccc1F ZINC000008325915 570680276 /nfs/dbraw/zinc/68/02/76/570680276.db2.gz LEJLVUZIGWXUDS-CQSZACIVSA-N 1 0 365.876 5.345 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008325929 570680328 /nfs/dbraw/zinc/68/03/28/570680328.db2.gz WZJGWWXCVWIENB-CYBMUJFWSA-N 1 0 366.274 5.055 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008325934 210782052 /nfs/dbraw/zinc/78/20/52/210782052.db2.gz FQOAJXPMPUGMLZ-GFCCVEGCSA-N 1 0 372.723 6.114 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000008325944 204327098 /nfs/dbraw/zinc/32/70/98/204327098.db2.gz DFNCIVNDOXDMSA-CYBMUJFWSA-N 1 0 366.274 5.055 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000008325954 204327797 /nfs/dbraw/zinc/32/77/97/204327797.db2.gz MPEKRCSYHORPQM-CYBMUJFWSA-N 1 0 368.304 5.469 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000008325956 207228356 /nfs/dbraw/zinc/22/83/56/207228356.db2.gz MAPHDJSFMOERHJ-CYBMUJFWSA-N 1 0 368.304 5.469 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008325961 204327380 /nfs/dbraw/zinc/32/73/80/204327380.db2.gz QQZAHTNDYDTGOQ-CYBMUJFWSA-N 1 0 368.304 5.469 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008326029 204327972 /nfs/dbraw/zinc/32/79/72/204327972.db2.gz WSKIFIXAPSZSSH-CYBMUJFWSA-N 1 0 368.304 5.469 50 0 FKAARO CC[C@H](C)[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000008326617 570680289 /nfs/dbraw/zinc/68/02/89/570680289.db2.gz FJKRLZTZGCXJCM-INIZCTEOSA-N 1 0 353.893 5.960 50 0 FKAARO CC[C@H](C)[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000008326623 204327311 /nfs/dbraw/zinc/32/73/11/204327311.db2.gz ZORQZELOXQEMRH-INIZCTEOSA-N 1 0 353.893 5.960 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008326657 204327880 /nfs/dbraw/zinc/32/78/80/204327880.db2.gz MOVFBOJPTIDGHZ-ZDUSSCGKSA-N 1 0 368.304 5.469 50 0 FKAARO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008326662 204327666 /nfs/dbraw/zinc/32/76/66/204327666.db2.gz SADQJUMLBHDZBA-AWEZNQCLSA-N 1 0 365.876 5.345 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008326672 219859974 /nfs/dbraw/zinc/85/99/74/219859974.db2.gz PYKGEQJIGCKJJD-ZDUSSCGKSA-N 1 0 368.304 5.469 50 0 FKAARO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Cl)c1OCc1ccccc1F ZINC000008326679 204327837 /nfs/dbraw/zinc/32/78/37/204327837.db2.gz LEJLVUZIGWXUDS-AWEZNQCLSA-N 1 0 365.876 5.345 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008326690 207230357 /nfs/dbraw/zinc/23/03/57/207230357.db2.gz WZJGWWXCVWIENB-ZDUSSCGKSA-N 1 0 366.274 5.055 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008326693 570680391 /nfs/dbraw/zinc/68/03/91/570680391.db2.gz FQOAJXPMPUGMLZ-LBPRGKRZSA-N 1 0 372.723 6.114 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000008326699 207230083 /nfs/dbraw/zinc/23/00/83/207230083.db2.gz DFNCIVNDOXDMSA-ZDUSSCGKSA-N 1 0 366.274 5.055 50 0 FKAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000008326705 570680357 /nfs/dbraw/zinc/68/03/57/570680357.db2.gz MPEKRCSYHORPQM-ZDUSSCGKSA-N 1 0 368.304 5.469 50 0 FKAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000008326708 570680232 /nfs/dbraw/zinc/68/02/32/570680232.db2.gz MAPHDJSFMOERHJ-ZDUSSCGKSA-N 1 0 368.304 5.469 50 0 FKAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008326712 570680338 /nfs/dbraw/zinc/68/03/38/570680338.db2.gz QQZAHTNDYDTGOQ-ZDUSSCGKSA-N 1 0 368.304 5.469 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008326780 204327392 /nfs/dbraw/zinc/32/73/92/204327392.db2.gz WSKIFIXAPSZSSH-ZDUSSCGKSA-N 1 0 368.304 5.469 50 0 FKAARO CCC[NH+]1CCC(NCc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000008327823 571040891 /nfs/dbraw/zinc/04/08/91/571040891.db2.gz NOZDPBYYQDTVDP-UHFFFAOYSA-N 1 0 367.320 5.217 50 0 FKAARO OC1CCC([NH2+]Cc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)CC1 ZINC000008329007 204327055 /nfs/dbraw/zinc/32/70/55/204327055.db2.gz BAYGGIGFRGEGJV-UHFFFAOYSA-N 1 0 373.802 5.012 50 0 FKAARO C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1)c1ccc(F)c(F)c1 ZINC000008403051 571045508 /nfs/dbraw/zinc/04/55/08/571045508.db2.gz DGJRRJHOQQFECW-INIZCTEOSA-N 1 0 353.412 5.395 50 0 FKAARO C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)c1ccc(F)c(F)c1 ZINC000008403055 571045441 /nfs/dbraw/zinc/04/54/41/571045441.db2.gz DGJRRJHOQQFECW-MRXNPFEDSA-N 1 0 353.412 5.395 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]Cc3cccnc3)c2)c(Cl)c1 ZINC000008418415 204331184 /nfs/dbraw/zinc/33/11/84/204331184.db2.gz FTCMQDRTDPJLPK-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]Cc3ccncc3)c2)c(Cl)c1 ZINC000008418418 204331505 /nfs/dbraw/zinc/33/15/05/204331505.db2.gz IVZOEDYHHQIUFJ-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3cccnc3)cc2)c(Cl)c1 ZINC000008419377 207234302 /nfs/dbraw/zinc/23/43/02/207234302.db2.gz XVVABQJZUFLNEN-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO Clc1ccc(COc2ccccc2CNCc2ccccn2)c(Cl)c1 ZINC000008435775 570682053 /nfs/dbraw/zinc/68/20/53/570682053.db2.gz GGADCXJPYLBRCO-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO Clc1ccc(COc2ccccc2C[NH2+]Cc2ccncc2)c(Cl)c1 ZINC000008435777 207234263 /nfs/dbraw/zinc/23/42/63/207234263.db2.gz PSOFHSBIQMLNJG-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO Clc1ccc(OCc2ccccc2Cl)c(CNCc2cccnc2)c1 ZINC000008435789 570681981 /nfs/dbraw/zinc/68/19/81/570681981.db2.gz VXGDMZRGWVOGKV-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO COc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccccc1 ZINC000008470337 207234102 /nfs/dbraw/zinc/23/41/02/207234102.db2.gz QPXFOCZBAXFZEX-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO COc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1ccccc1 ZINC000008470341 207233923 /nfs/dbraw/zinc/23/39/23/207233923.db2.gz BHZQFRXTQHHXCH-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO COc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000008470373 570795942 /nfs/dbraw/zinc/79/59/42/570795942.db2.gz FZHCRWDUJCEFHA-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1c(F)cccc1Cl ZINC000008471320 570681854 /nfs/dbraw/zinc/68/18/54/570681854.db2.gz AMCOMKBWUVZGSQ-UHFFFAOYSA-N 1 0 363.860 5.099 50 0 FKAARO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000008471473 219863197 /nfs/dbraw/zinc/86/31/97/219863197.db2.gz SZNPINYFMLMHDU-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000008471477 570682643 /nfs/dbraw/zinc/68/26/43/570682643.db2.gz UXFGKDRGZVRBGQ-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008471528 570682635 /nfs/dbraw/zinc/68/26/35/570682635.db2.gz OHEVGJMKWYYKDD-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccc(F)cc1 ZINC000008471561 204332753 /nfs/dbraw/zinc/33/27/53/204332753.db2.gz WFJBCKYZSLHTAF-UHFFFAOYSA-N 1 0 357.469 5.226 50 0 FKAARO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccc(F)cc1Cl ZINC000008471701 204331862 /nfs/dbraw/zinc/33/18/62/204331862.db2.gz XSCVTYBWRRXBPT-UHFFFAOYSA-N 1 0 363.860 5.099 50 0 FKAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccc(Cl)nc1 ZINC000008471805 207234416 /nfs/dbraw/zinc/23/44/16/207234416.db2.gz MAARWGAKHIHXHQ-UHFFFAOYSA-N 1 0 374.912 5.135 50 0 FKAARO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1cccc(Cl)c1 ZINC000008471883 210789136 /nfs/dbraw/zinc/78/91/36/210789136.db2.gz UUTKSPXBNKSPGP-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1cccc(Cl)c1 ZINC000008471887 570682331 /nfs/dbraw/zinc/68/23/31/570682331.db2.gz LVSTZBOUTMNWAC-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000008471943 570682414 /nfs/dbraw/zinc/68/24/14/570682414.db2.gz SLOZXSNZHJYMFS-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccccc1 ZINC000008472047 570682366 /nfs/dbraw/zinc/68/23/66/570682366.db2.gz NKSLEMOUGAGVEX-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccccc1Cl ZINC000008472119 210788074 /nfs/dbraw/zinc/78/80/74/210788074.db2.gz ZODGTPNIUMXYAN-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccccc1Cl ZINC000008472125 204331960 /nfs/dbraw/zinc/33/19/60/204331960.db2.gz XMKPOGCEPJQBED-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccccc1Cl ZINC000008472180 210788700 /nfs/dbraw/zinc/78/87/00/210788700.db2.gz RZYKYCBZRKUDPS-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccccc1Cl ZINC000008472193 570682524 /nfs/dbraw/zinc/68/25/24/570682524.db2.gz BBDMTJOOXHOQLR-UHFFFAOYSA-N 1 0 373.905 5.279 50 0 FKAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccccc1F ZINC000008472242 204331857 /nfs/dbraw/zinc/33/18/57/204331857.db2.gz TUOMUQLFWUFLDF-UHFFFAOYSA-N 1 0 357.469 5.226 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCC2)c1OCc1ccc(Cl)cc1 ZINC000008495291 207234753 /nfs/dbraw/zinc/23/47/53/207234753.db2.gz ACWFPFKRIPXALW-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCCC2)c1OCc1ccc(Cl)cc1 ZINC000008495293 204332383 /nfs/dbraw/zinc/33/23/83/204332383.db2.gz ORWZBLYGRFXXCO-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO COc1cccc(C[NH2+]Cc2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000008495329 204332659 /nfs/dbraw/zinc/33/26/59/204332659.db2.gz QZJVYMAXOLBQIL-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCCC2)c1OCc1ccc(F)cc1 ZINC000008495365 570682352 /nfs/dbraw/zinc/68/23/52/570682352.db2.gz KMWGYGCHCUIFLQ-UHFFFAOYSA-N 1 0 357.469 5.226 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCC2)c1OCc1ccccc1Cl ZINC000008495570 570682476 /nfs/dbraw/zinc/68/24/76/570682476.db2.gz KLWJMOPZWWFERR-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCCC2)c1OCc1ccccc1Cl ZINC000008495573 207235037 /nfs/dbraw/zinc/23/50/37/207235037.db2.gz JYBLIQRUFVDFBV-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO COc1cccc(C[NH2+]Cc2ccccc2)c1OCc1ccccc1Cl ZINC000008495618 204331843 /nfs/dbraw/zinc/33/18/43/204331843.db2.gz NIIDRQQHPNMBOG-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCCC2)c1OCc1ccccc1F ZINC000008495642 207234923 /nfs/dbraw/zinc/23/49/23/207234923.db2.gz RBHILVJFKHVTGR-UHFFFAOYSA-N 1 0 357.469 5.226 50 0 FKAARO Cc1ccc(-c2noc(/C(=C/c3ccc(Cl)cc3)CCCC[NH3+])n2)cc1 ZINC000008507751 207235397 /nfs/dbraw/zinc/23/53/97/207235397.db2.gz SGZTTYIRFKHDSQ-NBVRZTHBSA-N 1 0 367.880 5.368 50 0 FKAARO C[C@H]([NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21)c1ccccc1 ZINC000008534225 570682834 /nfs/dbraw/zinc/68/28/34/570682834.db2.gz AJQZKUYFBDKVRC-FQEVSTJZSA-N 1 0 367.492 6.270 50 0 FKAARO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000008534238 207236700 /nfs/dbraw/zinc/23/67/00/207236700.db2.gz YKVGKDBEVMCXNS-INIZCTEOSA-N 1 0 369.867 5.909 50 0 FKAARO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 ZINC000008534240 204334211 /nfs/dbraw/zinc/33/42/11/204334211.db2.gz RKDCOAARIZXBKN-KRWDZBQOSA-N 1 0 351.877 5.770 50 0 FKAARO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F)c1ccccc1 ZINC000008534243 204333239 /nfs/dbraw/zinc/33/32/39/204333239.db2.gz VSFIHRNWJBEQDE-INIZCTEOSA-N 1 0 369.867 5.909 50 0 FKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCCc1ccccc1 ZINC000008534246 210790875 /nfs/dbraw/zinc/79/08/75/210790875.db2.gz YULUCXXRIQZOSP-IBGZPJMESA-N 1 0 361.485 5.168 50 0 FKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccccc1F ZINC000008534256 570682979 /nfs/dbraw/zinc/68/29/79/570682979.db2.gz RFAABTKLCOPYLY-KRWDZBQOSA-N 1 0 365.448 5.264 50 0 FKAARO C[C@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000008534260 204333136 /nfs/dbraw/zinc/33/31/36/204333136.db2.gz JIEPFEBUACUBSL-KRWDZBQOSA-N 1 0 351.877 5.770 50 0 FKAARO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 ZINC000008534262 207236220 /nfs/dbraw/zinc/23/62/20/207236220.db2.gz KFJOINXICPZUDH-KRWDZBQOSA-N 1 0 351.877 5.770 50 0 FKAARO C[C@H]([NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 ZINC000008534268 204333704 /nfs/dbraw/zinc/33/37/04/204333704.db2.gz WQFZPKNIEKBXCQ-KRWDZBQOSA-N 1 0 351.877 5.770 50 0 FKAARO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000008534272 570682991 /nfs/dbraw/zinc/68/29/91/570682991.db2.gz JHIXHSSNCVGSFB-KRWDZBQOSA-N 1 0 351.877 5.770 50 0 FKAARO C[C@H]([NH2+]Cc1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000008534280 570683044 /nfs/dbraw/zinc/68/30/44/570683044.db2.gz DPKVWQHIINHQNP-KRWDZBQOSA-N 1 0 351.877 5.770 50 0 FKAARO C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1Cl)c1ccccc1 ZINC000008534283 570682964 /nfs/dbraw/zinc/68/29/64/570682964.db2.gz ZYKWVQKQBCQISX-KRWDZBQOSA-N 1 0 351.877 5.770 50 0 FKAARO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Cl)c1OC ZINC000008534503 219863910 /nfs/dbraw/zinc/86/39/10/219863910.db2.gz ZUDPZRRXLFIXAZ-LVBDODCMSA-N 1 0 363.929 5.196 50 0 FKAARO COc1c(Cl)cc(Cl)cc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000008534508 570683034 /nfs/dbraw/zinc/68/30/34/570683034.db2.gz PGSKAWUXXWWNMJ-GOSFSIBNSA-N 1 0 368.348 5.841 50 0 FKAARO C[C@@H]([NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21)c1ccccc1 ZINC000008535297 570682933 /nfs/dbraw/zinc/68/29/33/570682933.db2.gz AJQZKUYFBDKVRC-HXUWFJFHSA-N 1 0 367.492 6.270 50 0 FKAARO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000008535310 219863980 /nfs/dbraw/zinc/86/39/80/219863980.db2.gz YKVGKDBEVMCXNS-MRXNPFEDSA-N 1 0 369.867 5.909 50 0 FKAARO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 ZINC000008535312 570682828 /nfs/dbraw/zinc/68/28/28/570682828.db2.gz RKDCOAARIZXBKN-QGZVFWFLSA-N 1 0 351.877 5.770 50 0 FKAARO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F)c1ccccc1 ZINC000008535315 207236971 /nfs/dbraw/zinc/23/69/71/207236971.db2.gz VSFIHRNWJBEQDE-MRXNPFEDSA-N 1 0 369.867 5.909 50 0 FKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCCc1ccccc1 ZINC000008535318 204333040 /nfs/dbraw/zinc/33/30/40/204333040.db2.gz YULUCXXRIQZOSP-LJQANCHMSA-N 1 0 361.485 5.168 50 0 FKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1ccccc1F ZINC000008535328 570683080 /nfs/dbraw/zinc/68/30/80/570683080.db2.gz RFAABTKLCOPYLY-QGZVFWFLSA-N 1 0 365.448 5.264 50 0 FKAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000008535332 207236457 /nfs/dbraw/zinc/23/64/57/207236457.db2.gz 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FKAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2c(OC)ccc(Cl)c2c1=O ZINC000008717388 571057394 /nfs/dbraw/zinc/05/73/94/571057394.db2.gz WPYASOHWYPGYAR-UHFFFAOYSA-N 1 0 364.917 5.313 50 0 FKAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(OCC(C)C)cc2c1=O ZINC000008717493 571057431 /nfs/dbraw/zinc/05/74/31/571057431.db2.gz PNVFCQTTYMLKSJ-UHFFFAOYSA-N 1 0 372.553 5.686 50 0 FKAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(OCC(C)C)cc2c1=O ZINC000008717498 571057506 /nfs/dbraw/zinc/05/75/06/571057506.db2.gz XKLMCFBOUQZMRQ-QGZVFWFLSA-N 1 0 356.510 5.048 50 0 FKAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(OCC(C)C)cc2c1=O ZINC000008717499 571057579 /nfs/dbraw/zinc/05/75/79/571057579.db2.gz XKLMCFBOUQZMRQ-KRWDZBQOSA-N 1 0 356.510 5.048 50 0 FKAARO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@H+](C)C1CCCCC1 ZINC000008717502 206217254 /nfs/dbraw/zinc/21/72/54/206217254.db2.gz VEXAKCMAWVRALF-UHFFFAOYSA-N 1 0 356.510 5.048 50 0 FKAARO CCCCc1ccc2[nH]c(C)c(C[NH+](CCCC)CCCC)c(=O)c2c1 ZINC000008717987 206217350 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50 0 FKAARO Cc1ccc([C@H]([NH2+][C@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 ZINC000008990694 571089490 /nfs/dbraw/zinc/08/94/90/571089490.db2.gz UEVVNDYRUBOTER-GMAHTHKFSA-N 1 0 367.533 5.419 50 0 FKAARO Cc1ccc([C@@H]([NH2+][C@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 ZINC000008990695 571089381 /nfs/dbraw/zinc/08/93/81/571089381.db2.gz UEVVNDYRUBOTER-JTHBVZDNSA-N 1 0 367.533 5.419 50 0 FKAARO Fc1ccccc1OCCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008991346 219873186 /nfs/dbraw/zinc/87/31/86/219873186.db2.gz GUFMZMYJASLQCV-UHFFFAOYSA-N 1 0 370.493 5.084 50 0 FKAARO CC(C)Oc1ccc([C@H]([NH2+][C@@H]2CCOC(C)(C)C2)c2ccccc2)cc1 ZINC000009054202 571094283 /nfs/dbraw/zinc/09/42/83/571094283.db2.gz PCQWAAMGLVFKII-IFMALSPDSA-N 1 0 353.506 5.110 50 0 FKAARO CC(C)Oc1ccc([C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)c2ccccc2)cc1 ZINC000009054204 571094296 /nfs/dbraw/zinc/09/42/96/571094296.db2.gz PCQWAAMGLVFKII-IRLDBZIGSA-N 1 0 353.506 5.110 50 0 FKAARO CC(C)Oc1ccc([C@H]([NH2+][C@H]2CCOC(C)(C)C2)c2ccccc2)cc1 ZINC000009054207 571094198 /nfs/dbraw/zinc/09/41/98/571094198.db2.gz PCQWAAMGLVFKII-RBBKRZOGSA-N 1 0 353.506 5.110 50 0 FKAARO CC(C)Oc1ccc([C@@H]([NH2+][C@H]2CCOC(C)(C)C2)c2ccccc2)cc1 ZINC000009054209 571094230 /nfs/dbraw/zinc/09/42/30/571094230.db2.gz PCQWAAMGLVFKII-UNMCSNQZSA-N 1 0 353.506 5.110 50 0 FKAARO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](c1cccs1)C(C)C ZINC000009112710 207258471 /nfs/dbraw/zinc/25/84/71/207258471.db2.gz PDQGKOVNZQLMQK-GOSISDBHSA-N 1 0 357.475 5.158 50 0 FKAARO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](c1cccs1)C(C)C ZINC000009112711 204354613 /nfs/dbraw/zinc/35/46/13/204354613.db2.gz PDQGKOVNZQLMQK-SFHVURJKSA-N 1 0 357.475 5.158 50 0 FKAARO O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C[NH+]1CCCCC1 ZINC000009234517 204359552 /nfs/dbraw/zinc/35/95/52/204359552.db2.gz PHGKTXOIVHVYHO-UHFFFAOYSA-N 1 0 352.865 5.247 50 0 FKAARO Cc1cc2c(cc1C)C(Nc1ccc(OC(F)(F)F)cc1)=[NH+]C(C)(C)C2 ZINC000009344589 571105773 /nfs/dbraw/zinc/10/57/73/571105773.db2.gz GLTWIBCCMMSOIO-UHFFFAOYSA-N 1 0 362.395 5.395 50 0 FKAARO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1F ZINC000009417450 571108380 /nfs/dbraw/zinc/10/83/80/571108380.db2.gz UOXSGRGLBXGIEQ-INIZCTEOSA-N 1 0 353.412 5.395 50 0 FKAARO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1F ZINC000009417453 206247996 /nfs/dbraw/zinc/24/79/96/206247996.db2.gz UOXSGRGLBXGIEQ-MRXNPFEDSA-N 1 0 353.412 5.395 50 0 FKAARO c1ccc(SCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000009486540 571111137 /nfs/dbraw/zinc/11/11/37/571111137.db2.gz CGMMNFYWUIYTTR-UHFFFAOYSA-N 1 0 354.544 5.268 50 0 FKAARO COc1ccccc1[C@@H](CC[NH2+][C@@H](C)c1cccs1)c1ccccc1 ZINC000009547980 210288428 /nfs/dbraw/zinc/28/84/28/210288428.db2.gz YCLCFBSSPRTVOW-HKUYNNGSSA-N 1 0 351.515 5.630 50 0 FKAARO COc1ccccc1[C@@H](CC[NH2+][C@H](C)c1cccs1)c1ccccc1 ZINC000009547981 210288048 /nfs/dbraw/zinc/28/80/48/210288048.db2.gz YCLCFBSSPRTVOW-MJGOQNOKSA-N 1 0 351.515 5.630 50 0 FKAARO COc1ccccc1[C@H](CC[NH2+][C@@H](C)c1cccs1)c1ccccc1 ZINC000009547983 210288124 /nfs/dbraw/zinc/28/81/24/210288124.db2.gz YCLCFBSSPRTVOW-PKOBYXMFSA-N 1 0 351.515 5.630 50 0 FKAARO COc1ccccc1[C@H](CC[NH2+][C@H](C)c1cccs1)c1ccccc1 ZINC000009547984 571113205 /nfs/dbraw/zinc/11/32/05/571113205.db2.gz YCLCFBSSPRTVOW-IEBWSBKVSA-N 1 0 351.515 5.630 50 0 FKAARO CCCCN1C(=O)c2ccccc2[C@H]1[NH2+]C1CCCCCCCCCCC1 ZINC000009553770 204374942 /nfs/dbraw/zinc/37/49/42/204374942.db2.gz QXYBYBITFIHHJH-QHCPKHFHSA-N 1 0 370.581 6.204 50 0 FKAARO CCCCN1C(=O)c2ccccc2[C@@H]1[NH2+]C1CCCCCCCCCCC1 ZINC000009553771 204375188 /nfs/dbraw/zinc/37/51/88/204375188.db2.gz QXYBYBITFIHHJH-HSZRJFAPSA-N 1 0 370.581 6.204 50 0 FKAARO Clc1ccccc1-c1nnc([C@@H]([NH2+]C2CCCCC2)c2ccccc2)o1 ZINC000009683262 570696591 /nfs/dbraw/zinc/69/65/91/570696591.db2.gz OGNZRSUSBJUPCX-IBGZPJMESA-N 1 0 367.880 5.402 50 0 FKAARO Clc1ccccc1-c1nnc([C@H]([NH2+]C2CCCCC2)c2ccccc2)o1 ZINC000009683263 207281491 /nfs/dbraw/zinc/28/14/91/207281491.db2.gz OGNZRSUSBJUPCX-LJQANCHMSA-N 1 0 367.880 5.402 50 0 FKAARO CCc1ccc(-c2nc3ccccn3c2C[NH2+]Cc2ccc(C)cc2)cc1 ZINC000009740827 207285944 /nfs/dbraw/zinc/28/59/44/207285944.db2.gz PCOCYUNXTPLQKK-UHFFFAOYSA-N 1 0 355.485 5.162 50 0 FKAARO CCc1ccc(-c2nc3ccccn3c2C[NH2+]Cc2cccc(C)c2)cc1 ZINC000009740831 571118613 /nfs/dbraw/zinc/11/86/13/571118613.db2.gz QCYBLEYOQVQKKB-UHFFFAOYSA-N 1 0 355.485 5.162 50 0 FKAARO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C(C)C ZINC000009959457 204387459 /nfs/dbraw/zinc/38/74/59/204387459.db2.gz LELXBMJKLRSANW-UHFFFAOYSA-N 1 0 370.541 5.122 50 0 FKAARO CCc1cccc(CC)c1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010313857 570699785 /nfs/dbraw/zinc/69/97/85/570699785.db2.gz WEEVRENOQHDJSS-UHFFFAOYSA-N 1 0 350.506 5.050 50 0 FKAARO Cc1c(C[NH2+]C(C)C)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315458 570699843 /nfs/dbraw/zinc/69/98/43/570699843.db2.gz ZTOSQBSGQQSUHI-UHFFFAOYSA-N 1 0 361.316 5.803 50 0 FKAARO Cc1c(C[NH2+]Cc2ccccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315468 570699958 /nfs/dbraw/zinc/69/99/58/570699958.db2.gz RQFZYKUPQKCUTO-UHFFFAOYSA-N 1 0 374.915 5.941 50 0 FKAARO Cc1c(C[NH2+]C2CCCCC2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315471 204394630 /nfs/dbraw/zinc/39/46/30/204394630.db2.gz UHDWZXHHJXFSAP-UHFFFAOYSA-N 1 0 366.936 6.074 50 0 FKAARO CC(C)(C)[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315472 206270020 /nfs/dbraw/zinc/27/00/20/206270020.db2.gz WBZMMZIRLQRIHV-UHFFFAOYSA-N 1 0 361.316 5.885 50 0 FKAARO CCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315505 570699875 /nfs/dbraw/zinc/69/98/75/570699875.db2.gz VYCJRONMKUEVIU-UHFFFAOYSA-N 1 0 361.316 5.886 50 0 FKAARO Clc1ccc(Cn2cc(C[NH2+]C3CCCC3)c3ccccc32)c(Cl)c1 ZINC000010315508 219899819 /nfs/dbraw/zinc/89/98/19/219899819.db2.gz YBNUYWREBJRJKN-UHFFFAOYSA-N 1 0 373.327 6.029 50 0 FKAARO Cc1c(C[NH2+]C2CCCC2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315510 570699782 /nfs/dbraw/zinc/69/97/82/570699782.db2.gz JKHVFUWPTYZSNN-UHFFFAOYSA-N 1 0 352.909 5.684 50 0 FKAARO CCOCCC[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc21 ZINC000010315558 210869430 /nfs/dbraw/zinc/86/94/30/210869430.db2.gz VBFOPYZXKNTWIN-UHFFFAOYSA-N 1 0 370.924 5.168 50 0 FKAARO CCC[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315566 204394246 /nfs/dbraw/zinc/39/42/46/204394246.db2.gz IVADVVLMXPHAEP-UHFFFAOYSA-N 1 0 361.316 5.804 50 0 FKAARO CCCCC[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000010315570 219899999 /nfs/dbraw/zinc/89/99/99/219899999.db2.gz PGIVUFPFDBJGTJ-UHFFFAOYSA-N 1 0 354.925 5.931 50 0 FKAARO CCCCCC[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000010315573 219899253 /nfs/dbraw/zinc/89/92/53/219899253.db2.gz GZUWNACIRISEIZ-UHFFFAOYSA-N 1 0 368.952 6.321 50 0 FKAARO CC(C)C[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315574 570803067 /nfs/dbraw/zinc/80/30/67/570803067.db2.gz KZSWUKFOWPUOOO-UHFFFAOYSA-N 1 0 361.316 5.742 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315577 570699709 /nfs/dbraw/zinc/69/97/09/570699709.db2.gz PQMSKZUBWNFIBS-CQSZACIVSA-N 1 0 361.316 5.885 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315578 219899858 /nfs/dbraw/zinc/89/98/58/219899858.db2.gz PQMSKZUBWNFIBS-AWEZNQCLSA-N 1 0 361.316 5.885 50 0 FKAARO Cc1c(C[NH2+]C2CC2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315642 204394595 /nfs/dbraw/zinc/39/45/95/204394595.db2.gz QYYCKYRRXNUVAT-UHFFFAOYSA-N 1 0 359.300 5.557 50 0 FKAARO Cc1c(C[NH2+]Cc2ccco2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315658 204394196 /nfs/dbraw/zinc/39/41/96/204394196.db2.gz STVJSUCXJYCWSH-UHFFFAOYSA-N 1 0 364.876 5.534 50 0 FKAARO O=C(Nc1ccc(Cl)cc1Cl)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010335287 204012228 /nfs/dbraw/zinc/01/22/28/204012228.db2.gz LURRWNBCWUXDHZ-UHFFFAOYSA-N 1 0 363.288 5.232 50 0 FKAARO Cc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C2CC2)cc1 ZINC000010351489 571125563 /nfs/dbraw/zinc/12/55/63/571125563.db2.gz DRELNXFERBLPRW-YWZLYKJASA-N 1 0 356.897 5.025 50 0 FKAARO Cc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C2CC2)cc1 ZINC000010351492 219900299 /nfs/dbraw/zinc/90/02/99/219900299.db2.gz DRELNXFERBLPRW-MGPUTAFESA-N 1 0 356.897 5.025 50 0 FKAARO Cc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2C)C2CC2)cc1 ZINC000010351493 571125595 /nfs/dbraw/zinc/12/55/95/571125595.db2.gz DRELNXFERBLPRW-QRWLVFNGSA-N 1 0 356.897 5.025 50 0 FKAARO Cc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2C)C2CC2)cc1 ZINC000010351494 207299880 /nfs/dbraw/zinc/29/98/80/207299880.db2.gz DRELNXFERBLPRW-FOIQADDNSA-N 1 0 356.897 5.025 50 0 FKAARO COc1cc(C[NH2+]C(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000010435818 206280141 /nfs/dbraw/zinc/28/01/41/206280141.db2.gz KFEVEBNKVAEBFB-UHFFFAOYSA-N 1 0 354.277 5.079 50 0 FKAARO COc1cccc(C[NH2+]C(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000010435840 570804044 /nfs/dbraw/zinc/80/40/44/570804044.db2.gz WGLRSABCWIPGHR-UHFFFAOYSA-N 1 0 354.277 5.079 50 0 FKAARO CC(C)[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000010435852 570804068 /nfs/dbraw/zinc/80/40/68/570804068.db2.gz HVVDWBDJXRSKGW-UHFFFAOYSA-N 1 0 374.311 6.224 50 0 FKAARO CCOc1cc(C[NH2+]C(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000010435898 206280397 /nfs/dbraw/zinc/28/03/97/206280397.db2.gz YRWBCLJJJVFZNC-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO CC(C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000010435927 571105809 /nfs/dbraw/zinc/10/58/09/571105809.db2.gz ALNXMAICVWDQRG-UHFFFAOYSA-N 1 0 368.702 5.180 50 0 FKAARO CC(C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000010435935 206279466 /nfs/dbraw/zinc/27/94/66/206279466.db2.gz CTFBASNGDVFJBC-UHFFFAOYSA-N 1 0 368.702 5.180 50 0 FKAARO CCOc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000010435979 207301051 /nfs/dbraw/zinc/30/10/51/207301051.db2.gz ICHDLCCJNCMHPQ-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO CCOc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000010435982 570700780 /nfs/dbraw/zinc/70/07/80/570700780.db2.gz YSOROZQZYUJIIR-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO COc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000010436000 209552275 /nfs/dbraw/zinc/55/22/75/209552275.db2.gz MAIKQZTVCRTUBI-UHFFFAOYSA-N 1 0 354.277 5.079 50 0 FKAARO COc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000010436003 570700925 /nfs/dbraw/zinc/70/09/25/570700925.db2.gz ZXLOSDVMFWYKJC-UHFFFAOYSA-N 1 0 354.277 5.079 50 0 FKAARO CC(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000010436026 219903449 /nfs/dbraw/zinc/90/34/49/219903449.db2.gz PGCKEWQCFJBGHS-UHFFFAOYSA-N 1 0 358.696 5.724 50 0 FKAARO COc1cc(C[NH2+]C(C)C)ccc1OCc1c(Cl)cccc1Cl ZINC000010436158 209553152 /nfs/dbraw/zinc/55/31/52/209553152.db2.gz ZUHPLSZKJOVRRT-UHFFFAOYSA-N 1 0 354.277 5.079 50 0 FKAARO COc1cc(C[NH2+]C(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000010436170 570803961 /nfs/dbraw/zinc/80/39/61/570803961.db2.gz GFMWHWICODFFDM-UHFFFAOYSA-N 1 0 354.277 5.079 50 0 FKAARO CC(C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000010436399 209552123 /nfs/dbraw/zinc/55/21/23/209552123.db2.gz KFLDEVNYQZWABD-UHFFFAOYSA-N 1 0 368.702 5.180 50 0 FKAARO COc1cc(Cl)cc(C[NH2+]Cc2ccccc2)c1OCc1ccccc1 ZINC000010436500 204396204 /nfs/dbraw/zinc/39/62/04/204396204.db2.gz HTEQTEGXUXBRAO-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO COc1cc(Cl)cc(C[NH2+]C2CCCCC2)c1OCc1ccccc1 ZINC000010436513 570700809 /nfs/dbraw/zinc/70/08/09/570700809.db2.gz RCOCUUREIYYNHD-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO Brc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccccc1 ZINC000010436516 571204836 /nfs/dbraw/zinc/20/48/36/571204836.db2.gz DXDYECXEXYMIHR-UHFFFAOYSA-N 1 0 374.322 5.450 50 0 FKAARO CCOc1c(Cl)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000010436548 219904178 /nfs/dbraw/zinc/90/41/78/219904178.db2.gz OBAJAHXGBFMPEZ-UHFFFAOYSA-N 1 0 354.321 5.451 50 0 FKAARO CCOc1c(Cl)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1Cl ZINC000010436595 207300944 /nfs/dbraw/zinc/30/09/44/207300944.db2.gz OVNMJOBROSFFTL-UHFFFAOYSA-N 1 0 354.321 5.306 50 0 FKAARO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1 ZINC000010473912 570701275 /nfs/dbraw/zinc/70/12/75/570701275.db2.gz FZSKIGQHTBMLSH-KRWDZBQOSA-N 1 0 351.877 5.770 50 0 FKAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1 ZINC000010473917 570701302 /nfs/dbraw/zinc/70/13/02/570701302.db2.gz FZSKIGQHTBMLSH-QGZVFWFLSA-N 1 0 351.877 5.770 50 0 FKAARO Brc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccccc1 ZINC000010474059 207301884 /nfs/dbraw/zinc/30/18/84/207301884.db2.gz FZPCPOUBALIHMZ-UHFFFAOYSA-N 1 0 360.295 5.060 50 0 FKAARO Clc1ccccc1C[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474117 570701174 /nfs/dbraw/zinc/70/11/74/570701174.db2.gz KHBSUQDEEKNOIX-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccccc1 ZINC000010474199 207301575 /nfs/dbraw/zinc/30/15/75/207301575.db2.gz PUKMIEGITJJLJP-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO COc1cc(Cl)cc(C[NH2+]Cc2cccs2)c1OCc1ccccc1 ZINC000010474534 207301489 /nfs/dbraw/zinc/30/14/89/207301489.db2.gz BAQOUHPIXBDITQ-UHFFFAOYSA-N 1 0 373.905 5.279 50 0 FKAARO CCCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010474811 570804064 /nfs/dbraw/zinc/80/40/64/570804064.db2.gz JJQCBRDEMXSNTK-UHFFFAOYSA-N 1 0 362.311 5.308 50 0 FKAARO CCCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000010474840 570701321 /nfs/dbraw/zinc/70/13/21/570701321.db2.gz JDHMYBXDYFIJSB-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO Fc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000010475216 207301416 /nfs/dbraw/zinc/30/14/16/207301416.db2.gz DNNKWHPEEPIPOO-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO COc1cc(Cl)cc(C[NH2+]C2CCCCCC2)c1OCc1ccccc1 ZINC000010475305 204396692 /nfs/dbraw/zinc/39/66/92/204396692.db2.gz MJBPFWSGUBNYDC-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO CCOc1c(C[NH2+]C(C)(C)CC(C)(C)C)cc(Br)cc1OC ZINC000010475334 570701312 /nfs/dbraw/zinc/70/13/12/570701312.db2.gz JYLWAPJTYYEOJR-UHFFFAOYSA-N 1 0 372.347 5.161 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010475340 207301521 /nfs/dbraw/zinc/30/15/21/207301521.db2.gz VBJSACYKBDSELD-UHFFFAOYSA-N 1 0 359.941 6.223 50 0 FKAARO CCOc1c(C[NH2+]C2CCCCCCC2)cc(Br)cc1OC ZINC000010475351 204396402 /nfs/dbraw/zinc/39/64/02/204396402.db2.gz GGJKPSAVQHUADC-UHFFFAOYSA-N 1 0 370.331 5.059 50 0 FKAARO Clc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccccc1 ZINC000010475357 219904069 /nfs/dbraw/zinc/90/40/69/219904069.db2.gz DTYXBVARNQXVKN-UHFFFAOYSA-N 1 0 357.925 6.122 50 0 FKAARO Cc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000010475386 207302506 /nfs/dbraw/zinc/30/25/06/207302506.db2.gz WTNBQFKWANCBRH-UHFFFAOYSA-N 1 0 351.877 5.517 50 0 FKAARO COc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000010475399 570701258 /nfs/dbraw/zinc/70/12/58/570701258.db2.gz ZPYVHOUHHRNGKP-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc2ccccc21 ZINC000011006171 219914025 /nfs/dbraw/zinc/91/40/25/219914025.db2.gz YTXBMDZPLVJVQH-UHFFFAOYSA-N 1 0 361.489 5.003 50 0 FKAARO CCC[NH+](CCC)CC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 ZINC000011617102 570485132 /nfs/dbraw/zinc/48/51/32/570485132.db2.gz SCLSMFVVQCGLGK-JUJAOGAQSA-N 1 0 367.577 5.524 50 0 FKAARO C[C@H]([NH2+]CCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc21 ZINC000011678289 560211407 /nfs/dbraw/zinc/21/14/07/560211407.db2.gz VDHAWDNDOKGFTD-INIZCTEOSA-N 1 0 357.419 6.142 50 0 in-vitro FKAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)c(F)c3)C2)s1 ZINC000011783458 207321408 /nfs/dbraw/zinc/32/14/08/207321408.db2.gz FKDYOLPRZZLGRN-HNNXBMFYSA-N 1 0 373.472 5.104 50 0 FKAARO Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000011789271 570707119 /nfs/dbraw/zinc/70/71/19/570707119.db2.gz XTYMQPAUJPQKOP-UHFFFAOYSA-N 1 0 369.871 5.249 50 0 FKAARO COc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)CC3CC3)c(C)o2)cc1 ZINC000011815524 570707636 /nfs/dbraw/zinc/70/76/36/570707636.db2.gz PORUWEDSEZEVLW-UHFFFAOYSA-N 1 0 362.473 5.071 50 0 FKAARO Cn1cc(C[NH2+]Cc2ccccc2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000011843452 570709806 /nfs/dbraw/zinc/70/98/06/570709806.db2.gz CENNNSPNLGCSJI-UHFFFAOYSA-N 1 0 369.468 5.169 50 0 FKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+](CC1CCC1)C[C@H]1CCCO1 ZINC000011844305 210102156 /nfs/dbraw/zinc/10/21/56/210102156.db2.gz UVRJCSIZLXDRCB-LJQANCHMSA-N 1 0 374.912 5.085 50 0 FKAARO O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CC[NH+](CC2CC2)CC1 ZINC000011844445 570709850 /nfs/dbraw/zinc/70/98/50/570709850.db2.gz KCFYIRMUECLVJM-UHFFFAOYSA-N 1 0 368.908 5.068 50 0 FKAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(C3CCCCC3)s2)C1)NC1CC1 ZINC000011878920 207326852 /nfs/dbraw/zinc/32/68/52/207326852.db2.gz AHXBDWHZYZBKGX-KRWDZBQOSA-N 1 0 374.594 5.067 50 0 FKAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(C3CCCCC3)s2)C1)NC1CC1 ZINC000011878921 570710934 /nfs/dbraw/zinc/71/09/34/570710934.db2.gz AHXBDWHZYZBKGX-QGZVFWFLSA-N 1 0 374.594 5.067 50 0 FKAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)cc1 ZINC000011911821 570600316 /nfs/dbraw/zinc/60/03/16/570600316.db2.gz CWBQOLAOYLAVSY-HXUWFJFHSA-N 1 0 370.500 5.246 50 0 FKAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)cc1 ZINC000011911822 570600192 /nfs/dbraw/zinc/60/01/92/570600192.db2.gz CWBQOLAOYLAVSY-FQEVSTJZSA-N 1 0 370.500 5.246 50 0 FKAARO CSc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1 ZINC000011945122 570712940 /nfs/dbraw/zinc/71/29/40/570712940.db2.gz HTXRAAACLYYBGY-ZDUSSCGKSA-N 1 0 373.472 5.032 50 0 FKAARO CSc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1 ZINC000011945127 570712887 /nfs/dbraw/zinc/71/28/87/570712887.db2.gz HTXRAAACLYYBGY-CYBMUJFWSA-N 1 0 373.472 5.032 50 0 FKAARO Cc1c(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)[nH]c2c1cccc2C ZINC000011955230 570713050 /nfs/dbraw/zinc/71/30/50/570713050.db2.gz XKILQMPVQRVTNH-QGZVFWFLSA-N 1 0 358.489 5.130 50 0 FKAARO Cc1c(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)[nH]c2c1cccc2C ZINC000011955236 570713096 /nfs/dbraw/zinc/71/30/96/570713096.db2.gz XKILQMPVQRVTNH-KRWDZBQOSA-N 1 0 358.489 5.130 50 0 FKAARO Cc1cccc2cc(C[NH2+]Cc3ccccc3F)c(-c3cccs3)nc12 ZINC000011973231 570713543 /nfs/dbraw/zinc/71/35/43/570713543.db2.gz VZDMREOHCCBKAM-UHFFFAOYSA-N 1 0 362.473 5.701 50 0 FKAARO Cc1ccc(-c2nc(C[NH+]3CCC4(C=Cc5ccccc54)CC3)c(C)o2)o1 ZINC000012073227 570716445 /nfs/dbraw/zinc/71/64/45/570716445.db2.gz QNBIEJAVDLTKHG-UHFFFAOYSA-N 1 0 360.457 5.112 50 0 FKAARO CSc1cccc(C[NH+]2CCC(CCC(=O)Nc3ccccc3)CC2)c1 ZINC000012076192 207335604 /nfs/dbraw/zinc/33/56/04/207335604.db2.gz LQWBEJZYPJIAAS-UHFFFAOYSA-N 1 0 368.546 5.039 50 0 FKAARO Cc1oc(-c2ccoc2)nc1C[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000012076744 570717112 /nfs/dbraw/zinc/71/71/12/570717112.db2.gz IDHIMKOPSANQIT-HXUWFJFHSA-N 1 0 350.462 5.230 50 0 FKAARO Cc1oc(-c2ccoc2)nc1C[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000012076745 570717096 /nfs/dbraw/zinc/71/70/96/570717096.db2.gz IDHIMKOPSANQIT-FQEVSTJZSA-N 1 0 350.462 5.230 50 0 FKAARO C[C@@H](C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccccc2F)C1)c1ccccc1 ZINC000012151310 207344075 /nfs/dbraw/zinc/34/40/75/207344075.db2.gz AEPSUSITXGCDER-PKOBYXMFSA-N 1 0 363.480 5.199 50 0 FKAARO C[C@H](C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccccc2F)C1)c1ccccc1 ZINC000012151311 570723605 /nfs/dbraw/zinc/72/36/05/570723605.db2.gz AEPSUSITXGCDER-IEBWSBKVSA-N 1 0 363.480 5.199 50 0 FKAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)o1 ZINC000012244018 207351685 /nfs/dbraw/zinc/35/16/85/207351685.db2.gz NNZUWYVTMUFIFP-INIZCTEOSA-N 1 0 355.869 5.011 50 0 FKAARO Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000012246066 570730852 /nfs/dbraw/zinc/73/08/52/570730852.db2.gz LQVFCISQTIKWQN-UHFFFAOYSA-N 1 0 369.871 5.249 50 0 FKAARO C[C@@H](C[NH+]1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1)c1ccccc1 ZINC000012246079 570731464 /nfs/dbraw/zinc/73/14/64/570731464.db2.gz OAUVIERVZXHFJM-KRWDZBQOSA-N 1 0 363.480 5.199 50 0 FKAARO C[C@H](C[NH+]1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1)c1ccccc1 ZINC000012246080 570731413 /nfs/dbraw/zinc/73/14/13/570731413.db2.gz OAUVIERVZXHFJM-QGZVFWFLSA-N 1 0 363.480 5.199 50 0 FKAARO Clc1ccccc1-c1cncnc1[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000012282306 204446859 /nfs/dbraw/zinc/44/68/59/204446859.db2.gz YMUBTLKGDQRQCM-ROUUACIJSA-N 1 0 367.924 5.333 50 0 FKAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(CCC(=O)Nc3ccccc3)CC2)o1 ZINC000012299510 219976611 /nfs/dbraw/zinc/97/66/11/219976611.db2.gz ACOCYICYNNYDIT-SFHVURJKSA-N 1 0 368.521 5.213 50 0 FKAARO Cc1ccc([C@H](C)CC[NH+]2CCC(CCC(=O)Nc3ccccc3)CC2)o1 ZINC000012299511 207355689 /nfs/dbraw/zinc/35/56/89/207355689.db2.gz ACOCYICYNNYDIT-GOSISDBHSA-N 1 0 368.521 5.213 50 0 FKAARO COc1ccc2cc(-c3n[nH]cc3C[NH2+][C@@H](C)c3cccs3)ccc2c1 ZINC000012434017 207375405 /nfs/dbraw/zinc/37/54/05/207375405.db2.gz GGFIQYLGYLXJKM-AWEZNQCLSA-N 1 0 363.486 5.151 50 0 FKAARO COc1ccc2cc(-c3n[nH]cc3C[NH2+][C@H](C)c3cccs3)ccc2c1 ZINC000012434018 570744833 /nfs/dbraw/zinc/74/48/33/570744833.db2.gz GGFIQYLGYLXJKM-CQSZACIVSA-N 1 0 363.486 5.151 50 0 FKAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2scnc2-c2ccccc2)cc1C ZINC000012444421 570746153 /nfs/dbraw/zinc/74/61/53/570746153.db2.gz ZXYOLWHYXQYRGE-UHFFFAOYSA-N 1 0 374.513 5.107 50 0 FKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000012448801 570746704 /nfs/dbraw/zinc/74/67/04/570746704.db2.gz RXNZGZLMPDFMIG-UHFFFAOYSA-N 1 0 367.880 5.078 50 0 FKAARO Cc1ccc(-c2ccccc2C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)o1 ZINC000012459157 207381629 /nfs/dbraw/zinc/38/16/29/207381629.db2.gz OYDBGGNDSNPHAG-SFHVURJKSA-N 1 0 371.484 5.600 50 0 FKAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+](Cc1ccccc1)CC1CC1 ZINC000012471815 207381222 /nfs/dbraw/zinc/38/12/22/207381222.db2.gz YLFGSIHICZJGLZ-UHFFFAOYSA-N 1 0 368.427 5.340 50 0 FKAARO Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(N4CCCCC4)cc3)o2)cc1 ZINC000012531107 571174926 /nfs/dbraw/zinc/17/49/26/571174926.db2.gz UZBAVEOZPFBJFT-QGZVFWFLSA-N 1 0 362.477 5.208 50 0 FKAARO Cc1ccc(-c2nnc([C@H](C)Nc3ccc(N4CCCCC4)cc3)o2)cc1 ZINC000012531112 571174863 /nfs/dbraw/zinc/17/48/63/571174863.db2.gz UZBAVEOZPFBJFT-KRWDZBQOSA-N 1 0 362.477 5.208 50 0 FKAARO C[C@@]1(c2ccncc2)[NH2+]C[C@@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000012549178 571178962 /nfs/dbraw/zinc/17/89/62/571178962.db2.gz BCABKZMHHNPTOY-MBSDFSHPSA-N 1 0 373.887 5.215 50 0 FKAARO C[C@]1(c2ccncc2)[NH2+]C[C@@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000012549180 571178874 /nfs/dbraw/zinc/17/88/74/571178874.db2.gz BCABKZMHHNPTOY-FDDCHVKYSA-N 1 0 373.887 5.215 50 0 FKAARO C[C@@]1(c2ccncc2)[NH2+]C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000012549182 571178958 /nfs/dbraw/zinc/17/89/58/571178958.db2.gz BCABKZMHHNPTOY-JPYJTQIMSA-N 1 0 373.887 5.215 50 0 FKAARO C[C@]1(c2ccncc2)[NH2+]C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000012549184 207392054 /nfs/dbraw/zinc/39/20/54/207392054.db2.gz BCABKZMHHNPTOY-WZONZLPQSA-N 1 0 373.887 5.215 50 0 FKAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(-c3ccco3)c2)cnn1-c1ccccc1 ZINC000012571754 570750959 /nfs/dbraw/zinc/75/09/59/570750959.db2.gz CLJCRPBTFTUPCP-QGZVFWFLSA-N 1 0 357.457 5.292 50 0 FKAARO Cc1c([C@H](C)[NH2+]Cc2cccc(-c3ccco3)c2)cnn1-c1ccccc1 ZINC000012571764 220008330 /nfs/dbraw/zinc/00/83/30/220008330.db2.gz CLJCRPBTFTUPCP-KRWDZBQOSA-N 1 0 357.457 5.292 50 0 FKAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(-c3ccco3)cc2)cnn1-c1ccccc1 ZINC000012582685 570751423 /nfs/dbraw/zinc/75/14/23/570751423.db2.gz VDIJBCSQRGFTFK-QGZVFWFLSA-N 1 0 357.457 5.292 50 0 FKAARO Cc1c([C@H](C)[NH2+]Cc2ccc(-c3ccco3)cc2)cnn1-c1ccccc1 ZINC000012582693 220009162 /nfs/dbraw/zinc/00/91/62/220009162.db2.gz VDIJBCSQRGFTFK-KRWDZBQOSA-N 1 0 357.457 5.292 50 0 FKAARO O=C(CCC1CC[NH+](C[C@H]2CC=CCC2)CC1)Nc1ccccc1Cl ZINC000012593574 207398879 /nfs/dbraw/zinc/39/88/79/207398879.db2.gz KJRLHBDKFOXWAP-SFHVURJKSA-N 1 0 360.929 5.127 50 0 FKAARO O=C(CCC1CC[NH+](C[C@@H]2CC=CCC2)CC1)Nc1ccccc1Cl ZINC000012593577 220011261 /nfs/dbraw/zinc/01/12/61/220011261.db2.gz KJRLHBDKFOXWAP-GOSISDBHSA-N 1 0 360.929 5.127 50 0 FKAARO C[N@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)C1CCCCC1 ZINC000012597084 220012484 /nfs/dbraw/zinc/01/24/84/220012484.db2.gz GRNLAQMZLMGVCR-UHFFFAOYSA-N 1 0 361.489 5.014 50 0 FKAARO Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](Cc4ccoc4)CC3)cc2)c1 ZINC000012597177 571188196 /nfs/dbraw/zinc/18/81/96/571188196.db2.gz SJJPJMZUEYSMSS-UHFFFAOYSA-N 1 0 374.484 5.106 50 0 FKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1ccc(O)cc1 ZINC000012630011 570754652 /nfs/dbraw/zinc/75/46/52/570754652.db2.gz VWFGCBVCVNWHSH-UHFFFAOYSA-N 1 0 355.441 5.072 50 0 FKAARO CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000012659801 571322609 /nfs/dbraw/zinc/32/26/09/571322609.db2.gz KVJGMYWSXQADQY-QUSFTHQTSA-N 1 0 361.570 5.105 50 0 FKAARO CC(C)CCC[C@H](C)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000012659803 206294463 /nfs/dbraw/zinc/29/44/63/206294463.db2.gz KVJGMYWSXQADQY-LKWSHEICSA-N 1 0 361.570 5.105 50 0 FKAARO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1c(Cl)cccc1Cl ZINC000012676588 220016540 /nfs/dbraw/zinc/01/65/40/220016540.db2.gz KTYUYCLBYJNXIG-SJCJKPOMSA-N 1 0 363.288 5.061 50 0 FKAARO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1c(Cl)cccc1Cl ZINC000012676598 571043908 /nfs/dbraw/zinc/04/39/08/571043908.db2.gz KTYUYCLBYJNXIG-PXAZEXFGSA-N 1 0 363.288 5.061 50 0 FKAARO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1c(Cl)cccc1Cl ZINC000012676607 206296045 /nfs/dbraw/zinc/29/60/45/206296045.db2.gz KTYUYCLBYJNXIG-YVEFUNNKSA-N 1 0 363.288 5.061 50 0 FKAARO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1c(Cl)cccc1Cl ZINC000012676617 220016859 /nfs/dbraw/zinc/01/68/59/220016859.db2.gz KTYUYCLBYJNXIG-SJKOYZFVSA-N 1 0 363.288 5.061 50 0 FKAARO Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](Cc4ccco4)CC3)cc2)c1 ZINC000012702380 207407621 /nfs/dbraw/zinc/40/76/21/207407621.db2.gz GYIDEUFGJAYGST-UHFFFAOYSA-N 1 0 374.484 5.106 50 0 FKAARO CC1=C(CC[NH+]2CCC(CCC(=O)N3CCCC3)CC2)C(C)(C)CCC1 ZINC000012705716 210981045 /nfs/dbraw/zinc/98/10/45/210981045.db2.gz VLIMCJICWQGWFA-UHFFFAOYSA-N 1 0 360.586 5.018 50 0 FKAARO COc1ccc2ccccc2c1C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000012715787 570758410 /nfs/dbraw/zinc/75/84/10/570758410.db2.gz UQWLOYOOFLBKJQ-KRWDZBQOSA-N 1 0 371.484 5.193 50 0 FKAARO COc1ccc2ccccc2c1C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000012715792 220021548 /nfs/dbraw/zinc/02/15/48/220021548.db2.gz UQWLOYOOFLBKJQ-QGZVFWFLSA-N 1 0 371.484 5.193 50 0 FKAARO CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000012742775 571063850 /nfs/dbraw/zinc/06/38/50/571063850.db2.gz MRKCIUYHZASKEQ-UHFFFAOYSA-N 1 0 364.533 5.782 50 0 FKAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+]Cc1ccccc1 ZINC000012743675 571064341 /nfs/dbraw/zinc/06/43/41/571064341.db2.gz HWWCQHNUKZVDTH-UHFFFAOYSA-N 1 0 374.315 5.145 50 0 FKAARO CCc1ccc([C@@H]([NH2+]Cc2coc(-c3ccc(OC)cc3)n2)C(C)C)cc1 ZINC000012758290 571078262 /nfs/dbraw/zinc/07/82/62/571078262.db2.gz YFYFSZKCAHEFIR-QFIPXVFZSA-N 1 0 364.489 5.400 50 0 FKAARO CCc1ccc([C@H]([NH2+]Cc2coc(-c3ccc(OC)cc3)n2)C(C)C)cc1 ZINC000012758294 571078226 /nfs/dbraw/zinc/07/82/26/571078226.db2.gz YFYFSZKCAHEFIR-JOCHJYFZSA-N 1 0 364.489 5.400 50 0 FKAARO CC(C)[C@@H]([NH2+]Cc1csc(-c2cccs2)n1)c1ccc(Cl)cc1 ZINC000012799073 570763492 /nfs/dbraw/zinc/76/34/92/570763492.db2.gz SFLBSIAQERZEME-QGZVFWFLSA-N 1 0 362.951 6.012 50 0 FKAARO CC(C)[C@H]([NH2+]Cc1csc(-c2cccs2)n1)c1ccc(Cl)cc1 ZINC000012799078 220031697 /nfs/dbraw/zinc/03/16/97/220031697.db2.gz SFLBSIAQERZEME-KRWDZBQOSA-N 1 0 362.951 6.012 50 0 FKAARO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000012812869 571113944 /nfs/dbraw/zinc/11/39/44/571113944.db2.gz SIBDVVOPEBNARG-KZULUSFZSA-N 1 0 363.288 5.061 50 0 FKAARO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000012812873 571113867 /nfs/dbraw/zinc/11/38/67/571113867.db2.gz SIBDVVOPEBNARG-KPZWWZAWSA-N 1 0 363.288 5.061 50 0 FKAARO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000012812879 220032806 /nfs/dbraw/zinc/03/28/06/220032806.db2.gz SIBDVVOPEBNARG-XIKOKIGWSA-N 1 0 363.288 5.061 50 0 FKAARO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000012812884 571113937 /nfs/dbraw/zinc/11/39/37/571113937.db2.gz SIBDVVOPEBNARG-SGTLLEGYSA-N 1 0 363.288 5.061 50 0 FKAARO CSc1ccc(C[NH+]2CCC(CCC(=O)Nc3ccccc3)CC2)cc1 ZINC000012836566 570765273 /nfs/dbraw/zinc/76/52/73/570765273.db2.gz WXTCKBZKPIESDL-UHFFFAOYSA-N 1 0 368.546 5.039 50 0 FKAARO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1F ZINC000012879035 211002181 /nfs/dbraw/zinc/00/21/81/211002181.db2.gz HVYXWUXWGZGEKC-KBPBESRZSA-N 1 0 370.855 5.310 50 0 FKAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1F)c1ccc2ccccc2c1 ZINC000012879047 211001512 /nfs/dbraw/zinc/00/15/12/211001512.db2.gz HVYXWUXWGZGEKC-KGLIPLIRSA-N 1 0 370.855 5.310 50 0 FKAARO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)Nc1cccc2ccccc21 ZINC000012909350 220040750 /nfs/dbraw/zinc/04/07/50/220040750.db2.gz NQEUDEVIGPCRLR-JKSUJKDBSA-N 1 0 358.441 5.264 50 0 FKAARO C[C@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)Nc1cccc2ccccc21 ZINC000012909356 211005584 /nfs/dbraw/zinc/00/55/84/211005584.db2.gz NQEUDEVIGPCRLR-HOTGVXAUSA-N 1 0 358.441 5.264 50 0 FKAARO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)Nc1cccc2ccccc21 ZINC000012909361 211004696 /nfs/dbraw/zinc/00/46/96/211004696.db2.gz NQEUDEVIGPCRLR-HZPDHXFCSA-N 1 0 358.441 5.264 50 0 FKAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21)c1cc2ccccc2o1 ZINC000012909366 571143974 /nfs/dbraw/zinc/14/39/74/571143974.db2.gz NQEUDEVIGPCRLR-CVEARBPZSA-N 1 0 358.441 5.264 50 0 FKAARO Cc1ccc(Oc2ccccc2NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000012914575 211006338 /nfs/dbraw/zinc/00/63/38/211006338.db2.gz NNUUUWSDOULQKD-UHFFFAOYSA-N 1 0 360.457 5.101 50 0 FKAARO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(OC)cc1 ZINC000012930621 220044598 /nfs/dbraw/zinc/04/45/98/220044598.db2.gz IKGGVCWWJOAQFL-JOCHJYFZSA-N 1 0 374.484 5.042 50 0 FKAARO CC[C@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(OC)cc1 ZINC000012930624 220043989 /nfs/dbraw/zinc/04/39/89/220043989.db2.gz IKGGVCWWJOAQFL-QFIPXVFZSA-N 1 0 374.484 5.042 50 0 FKAARO c1cnn(Cc2ccccc2C[NH2+]Cc2cccc(Oc3ccccc3)c2)c1 ZINC000012980759 220048786 /nfs/dbraw/zinc/04/87/86/220048786.db2.gz QPSAPBNERFUETL-UHFFFAOYSA-N 1 0 369.468 5.014 50 0 FKAARO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000013004698 571187883 /nfs/dbraw/zinc/18/78/83/571187883.db2.gz UTPNJQHYHFFWLI-QHCPKHFHSA-N 1 0 372.512 5.070 50 0 FKAARO CCc1cccc(C)c1NC(=O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000013004699 571187896 /nfs/dbraw/zinc/18/78/96/571187896.db2.gz UTPNJQHYHFFWLI-HSZRJFAPSA-N 1 0 372.512 5.070 50 0 FKAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000013038398 220055443 /nfs/dbraw/zinc/05/54/43/220055443.db2.gz QLWQJZYGKRQYBL-INIZCTEOSA-N 1 0 372.940 5.876 50 0 FKAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000013038399 571322982 /nfs/dbraw/zinc/32/29/82/571322982.db2.gz QLWQJZYGKRQYBL-MRXNPFEDSA-N 1 0 372.940 5.876 50 0 FKAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000013039933 570772917 /nfs/dbraw/zinc/77/29/17/570772917.db2.gz NJSJKQVMBBKCOY-INIZCTEOSA-N 1 0 372.940 5.876 50 0 FKAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000013039934 220055116 /nfs/dbraw/zinc/05/51/16/220055116.db2.gz NJSJKQVMBBKCOY-MRXNPFEDSA-N 1 0 372.940 5.876 50 0 FKAARO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013119891 571118603 /nfs/dbraw/zinc/11/86/03/571118603.db2.gz XXNRZZXPXAFYRJ-KXMWUTRISA-N 1 0 357.497 5.328 50 0 FKAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1cccc(Cl)c1Cl ZINC000013325210 571270734 /nfs/dbraw/zinc/27/07/34/571270734.db2.gz BDBWNJSHPBKQFK-UHFFFAOYSA-N 1 0 364.276 5.233 50 0 FKAARO CCCCc1ccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000013325254 571270716 /nfs/dbraw/zinc/27/07/16/571270716.db2.gz LHUNNIZYZAEZJK-UHFFFAOYSA-N 1 0 351.494 5.269 50 0 FKAARO CC[C@@H](C)c1ccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000013325262 220063845 /nfs/dbraw/zinc/06/38/45/220063845.db2.gz CNXNGQOYFKSHGI-QGZVFWFLSA-N 1 0 351.494 5.440 50 0 FKAARO CC[C@H](C)c1ccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000013325264 220063836 /nfs/dbraw/zinc/06/38/36/220063836.db2.gz CNXNGQOYFKSHGI-KRWDZBQOSA-N 1 0 351.494 5.440 50 0 FKAARO CC1(C)[C@H]([NH2+]CC(=O)N(c2ccccc2)C2CCCCC2)[C@]2(C)CC[C@H]1C2 ZINC000013464302 571308144 /nfs/dbraw/zinc/30/81/44/571308144.db2.gz UESVZIGYWSMKFB-JKFKMHIGSA-N 1 0 368.565 5.157 50 0 FKAARO Cc1ccc(-c2c[n+](Cc3ccc(Cl)c(Cl)c3)c3n2CCC3)cc1 ZINC000013483192 570778204 /nfs/dbraw/zinc/77/82/04/570778204.db2.gz QVEBUSGMCLWBTC-UHFFFAOYSA-N 1 0 358.292 5.052 50 0 FKAARO Cc1ccc(-c2c[n+](-c3ccc(SC(F)F)cc3)c3n2CCC3)cc1 ZINC000013496549 207463544 /nfs/dbraw/zinc/46/35/44/207463544.db2.gz FMBDYNRHHIRQMD-UHFFFAOYSA-N 1 0 357.449 5.001 50 0 FKAARO C[C@@H]1C(c2ccccc2)=[N+](C)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000013510229 220071347 /nfs/dbraw/zinc/07/13/47/220071347.db2.gz CTWBZPZGQUGJLG-IGKWTDBASA-N 1 0 368.500 5.051 50 0 FKAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000013510966 220070652 /nfs/dbraw/zinc/07/06/52/220070652.db2.gz NDHOPVCXDQDCPC-KXMWUTRISA-N 1 0 357.497 5.072 50 0 FKAARO CC[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000013513955 220071156 /nfs/dbraw/zinc/07/11/56/220071156.db2.gz KIXGFZRPUASEFM-XPGKHFPBSA-N 1 0 371.524 5.462 50 0 FKAARO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000013517319 570778634 /nfs/dbraw/zinc/77/86/34/570778634.db2.gz AQYWHUJCPVLQLO-FSAHKVHBSA-N 1 0 371.524 5.414 50 0 FKAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H](C)C1(O)Cc1ccccc1 ZINC000013552883 220073366 /nfs/dbraw/zinc/07/33/66/220073366.db2.gz YRMXCILLNZAXNX-GQUJEBGOSA-N 1 0 371.524 5.318 50 0 FKAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H](C)C1(O)c1ccccc1 ZINC000013552966 220073543 /nfs/dbraw/zinc/07/35/43/220073543.db2.gz WPGSJVUKSMYCJB-DJEYIWCMSA-N 1 0 357.497 5.232 50 0 FKAARO CCCCCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1CC ZINC000013562802 220074616 /nfs/dbraw/zinc/07/46/16/220074616.db2.gz MPYSXPHSCSBUPX-NDBXHCKUSA-N 1 0 365.561 6.190 50 0 FKAARO CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000013587852 204538507 /nfs/dbraw/zinc/53/85/07/204538507.db2.gz ZTNBSFMIFOLVCM-MCTVSQGJSA-N 1 0 359.598 5.531 50 0 FKAARO CC(C)[C@@H](C[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)[NH2+]Cc1ccco1 ZINC000013682149 206306322 /nfs/dbraw/zinc/30/63/22/206306322.db2.gz ZYXKVLNBYOOWPU-VWNXMTODSA-N 1 0 369.549 5.602 50 0 FKAARO CC(C)[C@H](C[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)[NH2+]Cc1ccco1 ZINC000013682152 220083996 /nfs/dbraw/zinc/08/39/96/220083996.db2.gz ZYXKVLNBYOOWPU-UPVQGACJSA-N 1 0 369.549 5.602 50 0 FKAARO CC(C)[C@@H](C[C@]1(Cc2ccccc2)CCOC(C)(C)C1)[NH2+]Cc1ccco1 ZINC000013682155 220084578 /nfs/dbraw/zinc/08/45/78/220084578.db2.gz ZYXKVLNBYOOWPU-ISKFKSNPSA-N 1 0 369.549 5.602 50 0 FKAARO CC(C)[C@H](C[C@]1(Cc2ccccc2)CCOC(C)(C)C1)[NH2+]Cc1ccco1 ZINC000013682158 220085150 /nfs/dbraw/zinc/08/51/50/220085150.db2.gz ZYXKVLNBYOOWPU-LADGPHEKSA-N 1 0 369.549 5.602 50 0 FKAARO Cc1ccc(-c2c[n+](-c3ccc(OC(F)F)cc3)c3n2CCCCC3)cc1 ZINC000013686372 570784636 /nfs/dbraw/zinc/78/46/36/570784636.db2.gz XVVQRDYLCFKZMM-UHFFFAOYSA-N 1 0 369.435 5.068 50 0 FKAARO Clc1ccccc1OCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000013687148 211048008 /nfs/dbraw/zinc/04/80/08/211048008.db2.gz UJHHCARHXZCMEW-UHFFFAOYSA-N 1 0 372.921 5.208 50 0 FKAARO CCOc1cccc(C[NH2+]C2CCCC2)c1OCc1ccc(Cl)cc1 ZINC000013717439 570786376 /nfs/dbraw/zinc/78/63/76/570786376.db2.gz SLJZMMQVLZBBET-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO CCOc1cccc(C[NH2+]C2CCCC2)c1OCc1ccccc1Cl ZINC000013717442 211052605 /nfs/dbraw/zinc/05/26/05/211052605.db2.gz GNMYQAAUBWUHPF-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO CC[NH2+]Cc1cccc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000013717521 220089321 /nfs/dbraw/zinc/08/93/21/220089321.db2.gz SBEVVPTXLFYVSA-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCC[NH2+]Cc1cccc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000013717526 220089911 /nfs/dbraw/zinc/08/99/11/220089911.db2.gz BVIIMHYIDXGQMR-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCCCC[NH2+]Cc1cccc(OCC)c1OCc1ccc(Cl)cc1 ZINC000013717528 220090004 /nfs/dbraw/zinc/09/00/04/220090004.db2.gz BOQTUWSQRUYYPK-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO CCCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1Cl ZINC000013717530 220088952 /nfs/dbraw/zinc/08/89/52/220088952.db2.gz DUYOBIATWMAYMC-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO COc1ccccc1CC[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000013719176 211052440 /nfs/dbraw/zinc/05/24/40/211052440.db2.gz VBFAXFSZXCBTBP-UHFFFAOYSA-N 1 0 355.865 5.249 50 0 FKAARO COc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000013719188 570786474 /nfs/dbraw/zinc/78/64/74/570786474.db2.gz GVKZFXWNAYYUEP-UHFFFAOYSA-N 1 0 359.828 5.080 50 0 FKAARO COc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000013719316 211052479 /nfs/dbraw/zinc/05/24/79/211052479.db2.gz NJUSJCBVLQSJOS-UHFFFAOYSA-N 1 0 355.865 5.249 50 0 FKAARO CCCCOCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000013719483 211052050 /nfs/dbraw/zinc/05/20/50/211052050.db2.gz DWROGUSPIYFMCL-UHFFFAOYSA-N 1 0 361.913 5.215 50 0 FKAARO CCCCOCCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000013719487 570786431 /nfs/dbraw/zinc/78/64/31/570786431.db2.gz VRGMSCBXTBDESG-UHFFFAOYSA-N 1 0 361.913 5.215 50 0 FKAARO CCCCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000013719499 570786459 /nfs/dbraw/zinc/78/64/59/570786459.db2.gz ADLFJDRIUNKKND-UHFFFAOYSA-N 1 0 361.913 5.215 50 0 FKAARO CCCCOCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000013719504 207478492 /nfs/dbraw/zinc/47/84/92/207478492.db2.gz NNOQJUOFWMLUHC-UHFFFAOYSA-N 1 0 361.913 5.215 50 0 FKAARO CCCCOCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000013719653 220089567 /nfs/dbraw/zinc/08/95/67/220089567.db2.gz IDXWPVQCCIMVMM-UHFFFAOYSA-N 1 0 361.913 5.215 50 0 FKAARO CCCCOCCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000013719664 211052405 /nfs/dbraw/zinc/05/24/05/211052405.db2.gz LYFIGPSDZVYTQG-UHFFFAOYSA-N 1 0 361.913 5.215 50 0 FKAARO CCCCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000013719776 211051258 /nfs/dbraw/zinc/05/12/58/211051258.db2.gz PSEAYOPGRJQFHF-UHFFFAOYSA-N 1 0 361.913 5.215 50 0 FKAARO CCCCOCCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013719997 570786494 /nfs/dbraw/zinc/78/64/94/570786494.db2.gz DMPCZTOYSKKAKP-UHFFFAOYSA-N 1 0 356.293 5.550 50 0 FKAARO CCCCOCCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000013720005 220089700 /nfs/dbraw/zinc/08/97/00/220089700.db2.gz QDSJWTIPRUTLBM-UHFFFAOYSA-N 1 0 356.293 5.550 50 0 FKAARO CCCCOCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000013720011 211052664 /nfs/dbraw/zinc/05/26/64/211052664.db2.gz QBBCAGXQBXJSGI-UHFFFAOYSA-N 1 0 366.299 5.006 50 0 FKAARO CCCCOCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013720020 570786410 /nfs/dbraw/zinc/78/64/10/570786410.db2.gz VRRXLXANXPUQLN-UHFFFAOYSA-N 1 0 356.293 5.550 50 0 FKAARO CCCCOCCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000013720130 570786417 /nfs/dbraw/zinc/78/64/17/570786417.db2.gz SXDKDJYREOVKLT-UHFFFAOYSA-N 1 0 355.400 5.262 50 0 FKAARO CCCCOCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000013720169 220089339 /nfs/dbraw/zinc/08/93/39/220089339.db2.gz JEFVQURJKPDIFA-UHFFFAOYSA-N 1 0 361.913 5.215 50 0 FKAARO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000013720248 204549087 /nfs/dbraw/zinc/54/90/87/204549087.db2.gz CIXDAJBNFPYIET-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000013720251 220089234 /nfs/dbraw/zinc/08/92/34/220089234.db2.gz FQRKYSUNIRZHSA-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO COc1ccccc1C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000013720368 211052205 /nfs/dbraw/zinc/05/22/05/211052205.db2.gz YFCXVTOGCQCUQL-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO COc1ccccc1C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000013720382 220089731 /nfs/dbraw/zinc/08/97/31/220089731.db2.gz LUBINRQQAYDLOY-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000013720829 220089529 /nfs/dbraw/zinc/08/95/29/220089529.db2.gz BFONVIPVVFOUED-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO Clc1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2)cc1 ZINC000013720892 570838626 /nfs/dbraw/zinc/83/86/26/570838626.db2.gz DHVTYGWNOJOFAK-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO Clc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000013720904 220089248 /nfs/dbraw/zinc/08/92/48/220089248.db2.gz ZOMNRMXCKMIXJL-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO Fc1ccc(COc2ccccc2C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013720983 570786796 /nfs/dbraw/zinc/78/67/96/570786796.db2.gz GNEGIKLYXNNQMB-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccccc1COc1ccccc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000013720988 220089926 /nfs/dbraw/zinc/08/99/26/220089926.db2.gz PBSPWTYXTJMYDJ-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Clc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000013721021 220089660 /nfs/dbraw/zinc/08/96/60/220089660.db2.gz AURSEXNZCBGGFC-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO Fc1ccc(COc2cccc(C[NH2+]CCc3ccc(Cl)cc3)c2)cc1 ZINC000013721058 211052091 /nfs/dbraw/zinc/05/20/91/211052091.db2.gz RTQDOMYYBYVLPI-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccccc1COc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000013721066 211051767 /nfs/dbraw/zinc/05/17/67/211051767.db2.gz LMGGIBNQGRAEPH-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO CCOc1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(Cl)c1OCC ZINC000013721199 211052583 /nfs/dbraw/zinc/05/25/83/211052583.db2.gz NGSOJLYWHCIQHD-UHFFFAOYSA-N 1 0 368.304 5.123 50 0 FKAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000013721268 570786753 /nfs/dbraw/zinc/78/67/53/570786753.db2.gz ACJRDTVRPOTLOU-UHFFFAOYSA-N 1 0 358.696 5.378 50 0 FKAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCc2ccc(Cl)cc2)o1 ZINC000013721338 570786866 /nfs/dbraw/zinc/78/68/66/570786866.db2.gz JMARMIBNWDBFMT-UHFFFAOYSA-N 1 0 360.284 5.894 50 0 FKAARO Fc1ccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3)o2)cc1Cl ZINC000013721347 220089634 /nfs/dbraw/zinc/08/96/34/220089634.db2.gz ZPQKQPCFJZCACQ-UHFFFAOYSA-N 1 0 364.247 5.725 50 0 FKAARO Cc1ccc(COc2ccccc2C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013721373 211051301 /nfs/dbraw/zinc/05/13/01/211051301.db2.gz QCXBMCCSDYOEFP-UHFFFAOYSA-N 1 0 365.904 5.560 50 0 FKAARO Cc1ccc(COc2ccc(C[NH2+]CCc3ccc(Cl)cc3)cc2)cc1 ZINC000013721377 211052061 /nfs/dbraw/zinc/05/20/61/211052061.db2.gz GYEJMKVRPVAKNN-UHFFFAOYSA-N 1 0 365.904 5.560 50 0 FKAARO Cc1ccc(COc2cccc(C[NH2+]CCc3ccc(Cl)cc3)c2)cc1 ZINC000013721395 204549282 /nfs/dbraw/zinc/54/92/82/204549282.db2.gz QXUQLLGQAOHAIH-UHFFFAOYSA-N 1 0 365.904 5.560 50 0 FKAARO Cc1ccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3)o2)cc1Cl ZINC000013721439 207479994 /nfs/dbraw/zinc/47/99/94/207479994.db2.gz VZMRTNDZBKXSHO-UHFFFAOYSA-N 1 0 360.284 5.894 50 0 FKAARO CCOc1c(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2)cc1Cl ZINC000013721499 570786887 /nfs/dbraw/zinc/78/68/87/570786887.db2.gz UJEMGIAJXJTPEK-UHFFFAOYSA-N 1 0 358.696 5.378 50 0 FKAARO CC(C)OCCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000013721622 570786845 /nfs/dbraw/zinc/78/68/45/570786845.db2.gz RLKRCWQBOQZAPI-UHFFFAOYSA-N 1 0 363.501 5.324 50 0 FKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCOC(C)C)cc1 ZINC000013722046 570786782 /nfs/dbraw/zinc/78/67/82/570786782.db2.gz MNBVTDORMFVMFQ-UHFFFAOYSA-N 1 0 361.913 5.132 50 0 FKAARO CC(C)OCCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013722083 220089783 /nfs/dbraw/zinc/08/97/83/220089783.db2.gz RHMMHISNUWCIOK-UHFFFAOYSA-N 1 0 370.924 5.248 50 0 FKAARO COCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000013722252 570786895 /nfs/dbraw/zinc/78/68/95/570786895.db2.gz IDBYHNAYJIEYLJ-UHFFFAOYSA-N 1 0 369.892 5.198 50 0 FKAARO COCCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000013722255 211052009 /nfs/dbraw/zinc/05/20/09/211052009.db2.gz JAPBKBAAHNTWRB-UHFFFAOYSA-N 1 0 369.892 5.198 50 0 FKAARO COCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013722582 570786800 /nfs/dbraw/zinc/78/68/00/570786800.db2.gz UYDNQPMUZRDLTG-UHFFFAOYSA-N 1 0 368.304 5.007 50 0 FKAARO Clc1ccc(CC[NH2+]Cc2ccc(Br)cc2)c(Cl)c1 ZINC000013722736 570838602 /nfs/dbraw/zinc/83/86/02/570838602.db2.gz CIPKQVPWRVIZBA-UHFFFAOYSA-N 1 0 359.094 5.088 50 0 FKAARO Clc1ccc(CC[NH2+]Cc2cccc(Br)c2)c(Cl)c1 ZINC000013722872 220089538 /nfs/dbraw/zinc/08/95/38/220089538.db2.gz ZYDNQXSLYHBMCF-UHFFFAOYSA-N 1 0 359.094 5.088 50 0 FKAARO CCOc1ccc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000013723010 570786788 /nfs/dbraw/zinc/78/67/88/570786788.db2.gz ZXFLDHLCTVLMLS-UHFFFAOYSA-N 1 0 358.696 5.378 50 0 FKAARO CCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1OCC ZINC000013723037 211052295 /nfs/dbraw/zinc/05/22/95/211052295.db2.gz XNAMLTLMXONOGX-UHFFFAOYSA-N 1 0 368.304 5.123 50 0 FKAARO COc1ccc2ccccc2c1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000013723055 220089171 /nfs/dbraw/zinc/08/91/71/220089171.db2.gz HMMDXLYGFKFNTK-UHFFFAOYSA-N 1 0 360.284 5.488 50 0 FKAARO CCOc1ccc2ccccc2c1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000013723057 570787209 /nfs/dbraw/zinc/78/72/09/570787209.db2.gz KYQYSWSLIJPTNL-UHFFFAOYSA-N 1 0 374.311 5.878 50 0 FKAARO Clc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3)cc2)c(Cl)c1 ZINC000013723063 220089017 /nfs/dbraw/zinc/08/90/17/220089017.db2.gz ONSLCPXZSMKKEP-UHFFFAOYSA-N 1 0 356.296 5.993 50 0 FKAARO Fc1ccccc1-c1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)o1 ZINC000013723140 220089770 /nfs/dbraw/zinc/08/97/70/220089770.db2.gz MWPWQGUZZDDBBH-UHFFFAOYSA-N 1 0 364.247 5.725 50 0 FKAARO Fc1ccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000013723143 570838597 /nfs/dbraw/zinc/83/85/97/570838597.db2.gz MVMVMUDDFOOQCS-UHFFFAOYSA-N 1 0 364.247 5.725 50 0 FKAARO CCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1Cl ZINC000013723329 211052501 /nfs/dbraw/zinc/05/25/01/211052501.db2.gz AQKKEHAVPZRPSU-UHFFFAOYSA-N 1 0 358.696 5.378 50 0 FKAARO Clc1ccc(COc2ccccc2C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723435 570787126 /nfs/dbraw/zinc/78/71/26/570787126.db2.gz ZMEKHAVXPKTJBU-UHFFFAOYSA-N 1 0 355.909 5.899 50 0 FKAARO Clc1ccccc1COc1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000013723438 211052468 /nfs/dbraw/zinc/05/24/68/211052468.db2.gz AWGIESAQHRKJRS-UHFFFAOYSA-N 1 0 355.909 5.899 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]CCC3=CCCCC3)cc2)cc1 ZINC000013723449 204549304 /nfs/dbraw/zinc/54/93/04/204549304.db2.gz MYUBUMDDQSTLRB-UHFFFAOYSA-N 1 0 355.909 5.899 50 0 FKAARO Clc1ccccc1COc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723452 570787246 /nfs/dbraw/zinc/78/72/46/570787246.db2.gz GVAKGLBFVQHGAD-UHFFFAOYSA-N 1 0 355.909 5.899 50 0 FKAARO COc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1ccccc1 ZINC000013723490 211051413 /nfs/dbraw/zinc/05/14/13/211051413.db2.gz BUIRMPOEJBPJGI-UHFFFAOYSA-N 1 0 351.490 5.254 50 0 FKAARO c1ccc(COc2ccc3ccccc3c2C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723504 220089585 /nfs/dbraw/zinc/08/95/85/220089585.db2.gz NIHIYYORNNFXFV-UHFFFAOYSA-N 1 0 371.524 6.399 50 0 FKAARO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccc(F)cc1 ZINC000013723525 207479440 /nfs/dbraw/zinc/47/94/40/207479440.db2.gz RQHUPWQKJDHZRN-UHFFFAOYSA-N 1 0 369.480 5.393 50 0 FKAARO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccccc1F ZINC000013723530 570787201 /nfs/dbraw/zinc/78/72/01/570787201.db2.gz KKDJTJVFAKTZLV-UHFFFAOYSA-N 1 0 369.480 5.393 50 0 FKAARO COc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1ccccc1F ZINC000013723543 211052339 /nfs/dbraw/zinc/05/23/39/211052339.db2.gz XATNCOHDSQNDIT-UHFFFAOYSA-N 1 0 369.480 5.393 50 0 FKAARO COc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1ccc(F)cc1 ZINC000013723547 211052639 /nfs/dbraw/zinc/05/26/39/211052639.db2.gz URGKZIVVHLWOMI-UHFFFAOYSA-N 1 0 369.480 5.393 50 0 FKAARO CCOc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccccc1 ZINC000013723554 220089025 /nfs/dbraw/zinc/08/90/25/220089025.db2.gz KZQFMOBICPVYOX-UHFFFAOYSA-N 1 0 365.517 5.644 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]CCC3=CCCCC3)c2)cc1 ZINC000013723584 220089110 /nfs/dbraw/zinc/08/91/10/220089110.db2.gz KVPMBCQLTINUSG-UHFFFAOYSA-N 1 0 355.909 5.899 50 0 FKAARO Clc1ccccc1COc1cccc(C[NH2+]CCC2=CCCCC2)c1 ZINC000013723594 207480202 /nfs/dbraw/zinc/48/02/02/207480202.db2.gz SIBTZPBFXVLXGP-UHFFFAOYSA-N 1 0 355.909 5.899 50 0 FKAARO Clc1ccc(OCc2ccccc2)c(C[NH2+]CCC2=CCCCC2)c1 ZINC000013723679 570787190 /nfs/dbraw/zinc/78/71/90/570787190.db2.gz ARPLFKLAZGPVOS-UHFFFAOYSA-N 1 0 355.909 5.899 50 0 FKAARO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723692 211053166 /nfs/dbraw/zinc/05/31/66/211053166.db2.gz FETFHKYTVUWUEI-UHFFFAOYSA-N 1 0 373.899 6.038 50 0 FKAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCC1=CCCCC1 ZINC000013723695 570787258 /nfs/dbraw/zinc/78/72/58/570787258.db2.gz INXOIOHCEAUZEO-UHFFFAOYSA-N 1 0 373.899 6.038 50 0 FKAARO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1cccc(C)c1 ZINC000013723789 207479154 /nfs/dbraw/zinc/47/91/54/207479154.db2.gz PUBINTQBFHYTCK-UHFFFAOYSA-N 1 0 365.517 5.563 50 0 FKAARO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccc(C)cc1 ZINC000013723792 570787215 /nfs/dbraw/zinc/78/72/15/570787215.db2.gz FBGJOUPAXVTRLJ-UHFFFAOYSA-N 1 0 365.517 5.563 50 0 FKAARO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccccc1C ZINC000013723795 570787184 /nfs/dbraw/zinc/78/71/84/570787184.db2.gz JBKSCOVRKSTSNQ-UHFFFAOYSA-N 1 0 365.517 5.563 50 0 FKAARO Clc1ccc(Cl)c(-c2ccc(C[NH2+]CCC3=CCCCC3)o2)c1 ZINC000013723853 211053087 /nfs/dbraw/zinc/05/30/87/211053087.db2.gz JAJZTFZSWICJRU-UHFFFAOYSA-N 1 0 350.289 6.234 50 0 FKAARO Clc1cc(Cl)cc(-c2ccc(C[NH2+]CCC3=CCCCC3)o2)c1 ZINC000013723859 570787158 /nfs/dbraw/zinc/78/71/58/570787158.db2.gz QPZNOKLFFINMCB-UHFFFAOYSA-N 1 0 350.289 6.234 50 0 FKAARO Brc1ccc(-c2ccc(C[NH2+]CCC3=CCCCC3)o2)cc1 ZINC000013723865 570787212 /nfs/dbraw/zinc/78/72/12/570787212.db2.gz ZRQJWLOOEXYVHR-UHFFFAOYSA-N 1 0 360.295 5.689 50 0 FKAARO Clc1ccc(-c2ccc(C[NH2+]CCC3=CCCCC3)o2)c(Cl)c1 ZINC000013723875 570787197 /nfs/dbraw/zinc/78/71/97/570787197.db2.gz DQRZOCQYYJAFQQ-UHFFFAOYSA-N 1 0 350.289 6.234 50 0 FKAARO CCOc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1ccccc1 ZINC000013723881 220089620 /nfs/dbraw/zinc/08/96/20/220089620.db2.gz SWDFNWZEVBZBAN-UHFFFAOYSA-N 1 0 365.517 5.644 50 0 FKAARO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCCc1ccccc1 ZINC000013723890 570787173 /nfs/dbraw/zinc/78/71/73/570787173.db2.gz TWSMAXLNKMZVOA-UHFFFAOYSA-N 1 0 365.517 5.297 50 0 FKAARO COc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1ccc(C)cc1 ZINC000013723921 220089008 /nfs/dbraw/zinc/08/90/08/220089008.db2.gz DESQQRSHLVGOAY-UHFFFAOYSA-N 1 0 365.517 5.563 50 0 FKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723951 570787164 /nfs/dbraw/zinc/78/71/64/570787164.db2.gz MINBBOBMWUQSIV-UHFFFAOYSA-N 1 0 369.936 6.208 50 0 FKAARO Cc1cc(-c2ccc(C[NH2+]CCC3=CCCCC3)o2)ccc1Br ZINC000013723957 220089461 /nfs/dbraw/zinc/08/94/61/220089461.db2.gz XVHZOMFVYIQBRB-UHFFFAOYSA-N 1 0 374.322 5.998 50 0 FKAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCC2=CCCCC2)o1 ZINC000013723960 207480214 /nfs/dbraw/zinc/48/02/14/207480214.db2.gz GKQYUCPFPBTBAB-UHFFFAOYSA-N 1 0 374.322 5.998 50 0 FKAARO Clc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccccc1 ZINC000013724026 211054436 /nfs/dbraw/zinc/05/44/36/211054436.db2.gz WMDPNHRZPCXPEH-UHFFFAOYSA-N 1 0 355.909 5.899 50 0 FKAARO CC(C)CC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013724087 220089947 /nfs/dbraw/zinc/08/99/47/220089947.db2.gz AYRKNDDUVBWNJQ-UHFFFAOYSA-N 1 0 352.305 5.708 50 0 FKAARO CC(C)CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000013724099 220089570 /nfs/dbraw/zinc/08/95/70/220089570.db2.gz WXRVKHTWEWAHIE-UHFFFAOYSA-N 1 0 352.305 5.708 50 0 FKAARO CC(C)CC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000013724142 211054573 /nfs/dbraw/zinc/05/45/73/211054573.db2.gz CHCRDARRONYSSB-UHFFFAOYSA-N 1 0 367.920 6.208 50 0 FKAARO CC(C)CC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000013724145 570787149 /nfs/dbraw/zinc/78/71/49/570787149.db2.gz FHZADDUJRQGZFE-UHFFFAOYSA-N 1 0 367.920 6.208 50 0 FKAARO CCOc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000013724171 220089380 /nfs/dbraw/zinc/08/93/80/220089380.db2.gz DXRDIHVIGYZLEB-UHFFFAOYSA-N 1 0 361.913 5.453 50 0 FKAARO CCOc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccccc1Cl ZINC000013724174 211053335 /nfs/dbraw/zinc/05/33/35/211053335.db2.gz VRWRFSVIWZXIFZ-UHFFFAOYSA-N 1 0 361.913 5.453 50 0 FKAARO CC(C)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000013724186 570787230 /nfs/dbraw/zinc/78/72/30/570787230.db2.gz YBGPFLUHHVUWBN-UHFFFAOYSA-N 1 0 362.311 5.164 50 0 FKAARO CC(C)CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013724209 570787237 /nfs/dbraw/zinc/78/72/37/570787237.db2.gz FZRXCFWNUVWKOI-UHFFFAOYSA-N 1 0 352.305 5.708 50 0 FKAARO CCOc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccccc1 ZINC000013724244 570787163 /nfs/dbraw/zinc/78/71/63/570787163.db2.gz WSRGLVGFJVTDTG-UHFFFAOYSA-N 1 0 361.913 5.453 50 0 FKAARO COc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013724274 570787251 /nfs/dbraw/zinc/78/72/51/570787251.db2.gz QOTJHMGIEBCCPA-UHFFFAOYSA-N 1 0 365.876 5.202 50 0 FKAARO COc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccccc1F ZINC000013724277 207480185 /nfs/dbraw/zinc/48/01/85/207480185.db2.gz IUNBIPGOOXMUJP-UHFFFAOYSA-N 1 0 365.876 5.202 50 0 FKAARO CC(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000013724283 570787176 /nfs/dbraw/zinc/78/71/76/570787176.db2.gz YOJWJEVEEZIVGO-UHFFFAOYSA-N 1 0 352.305 5.708 50 0 FKAARO CC(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013724286 570787179 /nfs/dbraw/zinc/78/71/79/570787179.db2.gz KSTYBHITYHZKLH-UHFFFAOYSA-N 1 0 352.305 5.708 50 0 FKAARO CC(C)CC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000013724308 211053112 /nfs/dbraw/zinc/05/31/12/211053112.db2.gz LBUBNKCJZFQMNH-UHFFFAOYSA-N 1 0 351.465 5.694 50 0 FKAARO CC(C)CC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000013724311 211054558 /nfs/dbraw/zinc/05/45/58/211054558.db2.gz KGMDJBQOLQCDGC-UHFFFAOYSA-N 1 0 351.465 5.694 50 0 FKAARO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccc(F)cc1Cl ZINC000013724351 211054414 /nfs/dbraw/zinc/05/44/14/211054414.db2.gz SDVQIPGQGQXIKO-UHFFFAOYSA-N 1 0 365.876 5.202 50 0 FKAARO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1c(F)cccc1Cl ZINC000013724354 570787193 /nfs/dbraw/zinc/78/71/93/570787193.db2.gz ISSSQHKJDAIZTP-UHFFFAOYSA-N 1 0 365.876 5.202 50 0 FKAARO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]CCC(C)C)cc1 ZINC000013724449 570787238 /nfs/dbraw/zinc/78/72/38/570787238.db2.gz LMFKNDYBDQKXJW-UHFFFAOYSA-N 1 0 366.332 6.017 50 0 FKAARO COc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013724470 570787154 /nfs/dbraw/zinc/78/71/54/570787154.db2.gz VANQGNCZRRZTAH-UHFFFAOYSA-N 1 0 361.913 5.372 50 0 FKAARO CC(C)CC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013724476 570787135 /nfs/dbraw/zinc/78/71/35/570787135.db2.gz UWGIFUCEGWLYNW-UHFFFAOYSA-N 1 0 356.691 5.498 50 0 FKAARO COc1cccc(C[NH2+]CCC(C)C)c1OCc1ccc(F)cc1Cl ZINC000013724486 220089640 /nfs/dbraw/zinc/08/96/40/220089640.db2.gz JZCYBXAQDJHTQP-UHFFFAOYSA-N 1 0 365.876 5.202 50 0 FKAARO CC(C)CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000013724498 211052962 /nfs/dbraw/zinc/05/29/62/211052962.db2.gz SGDBGYQOYBIGPS-UHFFFAOYSA-N 1 0 352.305 5.708 50 0 FKAARO Cc1c(C[NH2+]CCC(C)C)c2ccccc2n1Cc1ccccc1Cl ZINC000013724516 570787156 /nfs/dbraw/zinc/78/71/56/570787156.db2.gz VDCVIBDPXYNKMH-UHFFFAOYSA-N 1 0 354.925 5.787 50 0 FKAARO CC(C)CC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000013724534 211053545 /nfs/dbraw/zinc/05/35/45/211053545.db2.gz QCDWIGBSFCLALA-UHFFFAOYSA-N 1 0 362.311 5.164 50 0 FKAARO CCOc1cccc(C[NH2+]CCC(C)C)c1OCc1ccccc1Cl ZINC000013724552 570787181 /nfs/dbraw/zinc/78/71/81/570787181.db2.gz YKMCONLXGUIILR-UHFFFAOYSA-N 1 0 361.913 5.453 50 0 FKAARO CCOc1cccc(C[NH2+]CCC(C)C)c1OCc1ccc(Cl)cc1 ZINC000013724560 211053696 /nfs/dbraw/zinc/05/36/96/211053696.db2.gz QBWLSWNXJARXNY-UHFFFAOYSA-N 1 0 361.913 5.453 50 0 FKAARO CCC(C)(C)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013724593 211054052 /nfs/dbraw/zinc/05/40/52/211054052.db2.gz RSXQORZHIZMEQX-UHFFFAOYSA-N 1 0 352.305 5.851 50 0 FKAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000013724606 570787248 /nfs/dbraw/zinc/78/72/48/570787248.db2.gz FAPMTXNNLBFNRR-UHFFFAOYSA-N 1 0 352.305 5.851 50 0 FKAARO CCC(C)(C)[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000013724648 220089943 /nfs/dbraw/zinc/08/99/43/220089943.db2.gz JKSBRLWNGHJXCE-UHFFFAOYSA-N 1 0 367.920 6.350 50 0 FKAARO CCC(C)(C)[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000013724651 207479811 /nfs/dbraw/zinc/47/98/11/207479811.db2.gz UEPGQMVSZQJJRK-UHFFFAOYSA-N 1 0 367.920 6.350 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)CC)ccc1OCc1ccc(Cl)cc1 ZINC000013724680 204548721 /nfs/dbraw/zinc/54/87/21/204548721.db2.gz PFJIDXSGCZWJBO-UHFFFAOYSA-N 1 0 361.913 5.596 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)CC)ccc1OCc1ccccc1Cl ZINC000013724683 220089267 /nfs/dbraw/zinc/08/92/67/220089267.db2.gz KSDJDNRCGIUHNK-UHFFFAOYSA-N 1 0 361.913 5.596 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000013724695 220091310 /nfs/dbraw/zinc/09/13/10/220091310.db2.gz RAKVJFKVJRFILM-UHFFFAOYSA-N 1 0 362.311 5.306 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013724724 570787221 /nfs/dbraw/zinc/78/72/21/570787221.db2.gz CUOLVSHOCHDLGC-UHFFFAOYSA-N 1 0 352.305 5.851 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Cl)c1OCc1ccccc1 ZINC000013724767 570787146 /nfs/dbraw/zinc/78/71/46/570787146.db2.gz QIFBCTGRWNAKPD-UHFFFAOYSA-N 1 0 361.913 5.596 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000013724807 207480162 /nfs/dbraw/zinc/48/01/62/207480162.db2.gz AMJLFIPIPMLVIP-UHFFFAOYSA-N 1 0 365.876 5.345 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000013724810 570787183 /nfs/dbraw/zinc/78/71/83/570787183.db2.gz LTTGKKSJFIRVGW-UHFFFAOYSA-N 1 0 365.876 5.345 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000013724818 220091217 /nfs/dbraw/zinc/09/12/17/220091217.db2.gz AOJVZRPUXWAHGR-UHFFFAOYSA-N 1 0 352.305 5.851 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013724822 570787174 /nfs/dbraw/zinc/78/71/74/570787174.db2.gz SEKXVDOAWGZZGT-UHFFFAOYSA-N 1 0 352.305 5.851 50 0 FKAARO CCC(C)(C)[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000013724853 204548518 /nfs/dbraw/zinc/54/85/18/204548518.db2.gz CKURIGUMEQVJNO-UHFFFAOYSA-N 1 0 351.465 5.836 50 0 FKAARO CCC(C)(C)[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000013724857 570787252 /nfs/dbraw/zinc/78/72/52/570787252.db2.gz GSEQRLOGQHXPNC-UHFFFAOYSA-N 1 0 351.465 5.836 50 0 FKAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000013724916 570787256 /nfs/dbraw/zinc/78/72/56/570787256.db2.gz SHPVNUHFRJSHLN-UHFFFAOYSA-N 1 0 365.876 5.345 50 0 FKAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000013724919 204548447 /nfs/dbraw/zinc/54/84/47/204548447.db2.gz YLSUZYLQELCMGP-UHFFFAOYSA-N 1 0 365.876 5.345 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013725044 570787699 /nfs/dbraw/zinc/78/76/99/570787699.db2.gz MCOSXZJUWDEOOU-UHFFFAOYSA-N 1 0 366.332 6.159 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000013725070 204548748 /nfs/dbraw/zinc/54/87/48/204548748.db2.gz YIFICDCXSLUZGH-UHFFFAOYSA-N 1 0 361.913 5.514 50 0 FKAARO CCC(C)(C)[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013725078 211053151 /nfs/dbraw/zinc/05/31/51/211053151.db2.gz QYHKDJMJCZVSFF-UHFFFAOYSA-N 1 0 356.691 5.641 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000013725094 211054750 /nfs/dbraw/zinc/05/47/50/211054750.db2.gz AZBOGMOAYVVXOB-UHFFFAOYSA-N 1 0 365.876 5.345 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000013725110 570787657 /nfs/dbraw/zinc/78/76/57/570787657.db2.gz APRRFQNUUXRKRY-UHFFFAOYSA-N 1 0 352.305 5.851 50 0 FKAARO CCC(C)(C)[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000013725133 570787581 /nfs/dbraw/zinc/78/75/81/570787581.db2.gz LBEPHVOKVVGTPQ-UHFFFAOYSA-N 1 0 354.925 5.930 50 0 FKAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000013725156 211053226 /nfs/dbraw/zinc/05/32/26/211053226.db2.gz OXIJYAXSTKQTQI-UHFFFAOYSA-N 1 0 362.311 5.306 50 0 FKAARO CCOc1cccc(C[NH2+]C(C)(C)CC)c1OCc1ccccc1Cl ZINC000013725175 204548330 /nfs/dbraw/zinc/54/83/30/204548330.db2.gz IFBTZLYMQXIECY-UHFFFAOYSA-N 1 0 361.913 5.596 50 0 FKAARO CCOc1cccc(C[NH2+]C(C)(C)CC)c1OCc1ccc(Cl)cc1 ZINC000013725187 204549401 /nfs/dbraw/zinc/54/94/01/204549401.db2.gz SBFCKCKLIAQPNQ-UHFFFAOYSA-N 1 0 361.913 5.596 50 0 FKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000013725476 570787599 /nfs/dbraw/zinc/78/75/99/570787599.db2.gz DIBONWPREJMCLP-IBGZPJMESA-N 1 0 363.476 5.516 50 0 FKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000013725480 570787623 /nfs/dbraw/zinc/78/76/23/570787623.db2.gz DIBONWPREJMCLP-LJQANCHMSA-N 1 0 363.476 5.516 50 0 FKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000013725485 204548351 /nfs/dbraw/zinc/54/83/51/204548351.db2.gz BHKUHGWZJNOEEX-IBGZPJMESA-N 1 0 363.476 5.516 50 0 FKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000013725489 211053923 /nfs/dbraw/zinc/05/39/23/211053923.db2.gz BHKUHGWZJNOEEX-LJQANCHMSA-N 1 0 363.476 5.516 50 0 FKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000013725673 211054060 /nfs/dbraw/zinc/05/40/60/211054060.db2.gz CAUSHKBKOCZVHZ-IBGZPJMESA-N 1 0 363.476 5.516 50 0 FKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000013725677 220090705 /nfs/dbraw/zinc/09/07/05/220090705.db2.gz CAUSHKBKOCZVHZ-LJQANCHMSA-N 1 0 363.476 5.516 50 0 FKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000013725698 220090901 /nfs/dbraw/zinc/09/09/01/220090901.db2.gz NDESRCBZWYPEGO-IBGZPJMESA-N 1 0 363.476 5.516 50 0 FKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000013725702 570787683 /nfs/dbraw/zinc/78/76/83/570787683.db2.gz NDESRCBZWYPEGO-LJQANCHMSA-N 1 0 363.476 5.516 50 0 FKAARO CCOc1cc(C[NH2+][C@@H](C)CCc2ccccc2)cc(Cl)c1OCC ZINC000013726015 207479494 /nfs/dbraw/zinc/47/94/94/207479494.db2.gz XUZUHEGCZFEPGK-INIZCTEOSA-N 1 0 361.913 5.248 50 0 FKAARO CCOc1cc(C[NH2+][C@H](C)CCc2ccccc2)cc(Cl)c1OCC ZINC000013726019 220090978 /nfs/dbraw/zinc/09/09/78/220090978.db2.gz XUZUHEGCZFEPGK-MRXNPFEDSA-N 1 0 361.913 5.248 50 0 FKAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000013726206 211054426 /nfs/dbraw/zinc/05/44/26/211054426.db2.gz LHLYDPHBCNKWAM-AWEZNQCLSA-N 1 0 352.305 5.503 50 0 FKAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000013726210 570787681 /nfs/dbraw/zinc/78/76/81/570787681.db2.gz LHLYDPHBCNKWAM-CQSZACIVSA-N 1 0 352.305 5.503 50 0 FKAARO CCn1c2ccccc2c2cc(C[NH2+][C@@H](C)CCc3ccccc3)ccc21 ZINC000013726274 211054800 /nfs/dbraw/zinc/05/48/00/211054800.db2.gz JHGZWMFCBWYISW-IBGZPJMESA-N 1 0 356.513 5.925 50 0 FKAARO CCn1c2ccccc2c2cc(C[NH2+][C@H](C)CCc3ccccc3)ccc21 ZINC000013726278 211053247 /nfs/dbraw/zinc/05/32/47/211053247.db2.gz JHGZWMFCBWYISW-LJQANCHMSA-N 1 0 356.513 5.925 50 0 FKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013726322 570787672 /nfs/dbraw/zinc/78/76/72/570787672.db2.gz WLPJUGCYZNYSKH-HNNXBMFYSA-N 1 0 374.311 6.364 50 0 FKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013726325 220091425 /nfs/dbraw/zinc/09/14/25/220091425.db2.gz WLPJUGCYZNYSKH-OAHLLOKOSA-N 1 0 374.311 6.364 50 0 FKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000013726337 570787554 /nfs/dbraw/zinc/78/75/54/570787554.db2.gz HCHLEHZVCOZQIB-HNNXBMFYSA-N 1 0 374.311 6.364 50 0 FKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000013726341 570787680 /nfs/dbraw/zinc/78/76/80/570787680.db2.gz HCHLEHZVCOZQIB-OAHLLOKOSA-N 1 0 374.311 6.364 50 0 FKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013726383 211053361 /nfs/dbraw/zinc/05/33/61/211053361.db2.gz BIWNLQJTHFWREN-HNNXBMFYSA-N 1 0 374.311 6.364 50 0 FKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013726387 570787667 /nfs/dbraw/zinc/78/76/67/570787667.db2.gz BIWNLQJTHFWREN-OAHLLOKOSA-N 1 0 374.311 6.364 50 0 FKAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+][C@@H](C)CCc2ccccc2)o1 ZINC000013726391 570787563 /nfs/dbraw/zinc/78/75/63/570787563.db2.gz NOERQMLRNCIWCF-INIZCTEOSA-N 1 0 353.893 6.019 50 0 FKAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+][C@H](C)CCc2ccccc2)o1 ZINC000013726395 211053208 /nfs/dbraw/zinc/05/32/08/211053208.db2.gz NOERQMLRNCIWCF-MRXNPFEDSA-N 1 0 353.893 6.019 50 0 FKAARO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CCc3ccccc3)o2)cc1Cl ZINC000013726406 220091355 /nfs/dbraw/zinc/09/13/55/220091355.db2.gz RPPVPKWZQAOXSD-INIZCTEOSA-N 1 0 369.892 5.720 50 0 FKAARO COc1ccc(-c2ccc(C[NH2+][C@H](C)CCc3ccccc3)o2)cc1Cl ZINC000013726410 570787612 /nfs/dbraw/zinc/78/76/12/570787612.db2.gz RPPVPKWZQAOXSD-MRXNPFEDSA-N 1 0 369.892 5.720 50 0 FKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000013726414 570787617 /nfs/dbraw/zinc/78/76/17/570787617.db2.gz XXWDNYUGKLNQPG-HNNXBMFYSA-N 1 0 357.856 5.850 50 0 FKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000013726418 220090837 /nfs/dbraw/zinc/09/08/37/220090837.db2.gz XXWDNYUGKLNQPG-OAHLLOKOSA-N 1 0 357.856 5.850 50 0 FKAARO Cc1ccc(COc2ccccc2C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000013726476 220091272 /nfs/dbraw/zinc/09/12/72/220091272.db2.gz IPJVAFLQPRDOFH-NRFANRHFSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1ccc(COc2ccccc2C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000013726480 570787548 /nfs/dbraw/zinc/78/75/48/570787548.db2.gz IPJVAFLQPRDOFH-OAQYLSRUSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1ccc(COc2ccc(C[NH2+][C@@H](C)CCc3ccccc3)cc2)cc1 ZINC000013726484 570787664 /nfs/dbraw/zinc/78/76/64/570787664.db2.gz IZJZMTYSEZJAGU-NRFANRHFSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1ccc(COc2ccc(C[NH2+][C@H](C)CCc3ccccc3)cc2)cc1 ZINC000013726487 570787676 /nfs/dbraw/zinc/78/76/76/570787676.db2.gz IZJZMTYSEZJAGU-OAQYLSRUSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1ccc(COc2cccc(C[NH2+][C@@H](C)CCc3ccccc3)c2)cc1 ZINC000013726528 570787660 /nfs/dbraw/zinc/78/76/60/570787660.db2.gz RRFODKLAHNBOED-NRFANRHFSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1ccc(COc2cccc(C[NH2+][C@H](C)CCc3ccccc3)c2)cc1 ZINC000013726532 570787637 /nfs/dbraw/zinc/78/76/37/570787637.db2.gz RRFODKLAHNBOED-OAQYLSRUSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1ccc(-c2ccc(C[NH2+][C@@H](C)CCc3ccccc3)o2)cc1Cl ZINC000013726621 220091331 /nfs/dbraw/zinc/09/13/31/220091331.db2.gz MJWDKUPUAARPLH-KRWDZBQOSA-N 1 0 353.893 6.019 50 0 FKAARO Cc1ccc(-c2ccc(C[NH2+][C@H](C)CCc3ccccc3)o2)cc1Cl ZINC000013726624 207479710 /nfs/dbraw/zinc/47/97/10/207479710.db2.gz MJWDKUPUAARPLH-QGZVFWFLSA-N 1 0 353.893 6.019 50 0 FKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000013726639 570787634 /nfs/dbraw/zinc/78/76/34/570787634.db2.gz WZPJREBUGPZQGG-INIZCTEOSA-N 1 0 373.418 6.076 50 0 FKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000013726641 570787602 /nfs/dbraw/zinc/78/76/02/570787602.db2.gz WZPJREBUGPZQGG-MRXNPFEDSA-N 1 0 373.418 6.076 50 0 FKAARO CCOc1c(Cl)cc(C[NH2+][C@@H](C)CCc2ccccc2)cc1Cl ZINC000013726734 220091012 /nfs/dbraw/zinc/09/10/12/220091012.db2.gz HCMMPFYGQBCZOY-AWEZNQCLSA-N 1 0 352.305 5.503 50 0 FKAARO CCOc1c(Cl)cc(C[NH2+][C@H](C)CCc2ccccc2)cc1Cl ZINC000013726737 220091136 /nfs/dbraw/zinc/09/11/36/220091136.db2.gz HCMMPFYGQBCZOY-CQSZACIVSA-N 1 0 352.305 5.503 50 0 FKAARO c1ccc(OCCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000013727349 570787614 /nfs/dbraw/zinc/78/76/14/570787614.db2.gz NKIICYRKAOKUKV-UHFFFAOYSA-N 1 0 366.530 5.335 50 0 FKAARO CCOc1cccc(C[NH2+]C2CCCCC2)c1OCc1ccccc1Cl ZINC000013729753 220090739 /nfs/dbraw/zinc/09/07/39/220090739.db2.gz PNFWYSBHULTRSW-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO CCOc1cccc(C[NH2+]Cc2ccccc2)c1OCc1ccccc1F ZINC000013729859 570788139 /nfs/dbraw/zinc/78/81/39/570788139.db2.gz STSCJFQLXPMLFZ-UHFFFAOYSA-N 1 0 365.448 5.093 50 0 FKAARO CCOc1cccc(C[NH2+]C2CCCCC2)c1OCc1ccccc1F ZINC000013729862 570788087 /nfs/dbraw/zinc/78/80/87/570788087.db2.gz YTCFNQWDOZLZJF-UHFFFAOYSA-N 1 0 357.469 5.226 50 0 FKAARO CCOc1cccc(C[NH2+]Cc2cccs2)c1OCc1ccccc1F ZINC000013729926 211053735 /nfs/dbraw/zinc/05/37/35/211053735.db2.gz JCAPWWCWSBNKET-UHFFFAOYSA-N 1 0 371.477 5.155 50 0 FKAARO CCCCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1F ZINC000013729948 570788262 /nfs/dbraw/zinc/78/82/62/570788262.db2.gz XXFKLNBQRGOVAH-UHFFFAOYSA-N 1 0 359.485 5.473 50 0 FKAARO CCOc1cccc(C[NH2+]C2CCCCCC2)c1OCc1ccccc1F ZINC000013730004 570788065 /nfs/dbraw/zinc/78/80/65/570788065.db2.gz IHKRBMNALSJVPW-UHFFFAOYSA-N 1 0 371.496 5.616 50 0 FKAARO CCOc1cccc(C[NH2+]C2CC2)c1OCc1ccc(Cl)cc1Cl ZINC000013730115 206305982 /nfs/dbraw/zinc/30/59/82/206305982.db2.gz CYGXXQWHNYSSMM-UHFFFAOYSA-N 1 0 366.288 5.223 50 0 FKAARO CCOc1cccc(C[NH2+]C(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000013730149 220090822 /nfs/dbraw/zinc/09/08/22/220090822.db2.gz SCXMUCKTCAENFV-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO CCOc1cccc(C[NH2+]C2CCCCC2)c1OCc1ccc(Cl)cc1 ZINC000013730167 220090726 /nfs/dbraw/zinc/09/07/26/220090726.db2.gz JBCGYJDSBQLLNA-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO C[C@]12CC3CC([NH2+]Cc4cccc(Oc5ncccn5)c4)(C1)C[C@@](C)(C3)C2 ZINC000013731536 220090723 /nfs/dbraw/zinc/09/07/23/220090723.db2.gz JOVPVPOFFHTUBY-FKANHJMESA-N 1 0 363.505 5.108 50 0 FKAARO CCC(=O)[S+]=c1ssc2c1-c1cc(OC)ccc1NC2(C)C ZINC000013739432 570788602 /nfs/dbraw/zinc/78/86/02/570788602.db2.gz IIQZQPGEVUYSHK-UHFFFAOYSA-N 1 0 352.526 5.456 50 0 FKAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1cccc2ccccc21 ZINC000013748586 220091914 /nfs/dbraw/zinc/09/19/14/220091914.db2.gz XZDQDQIONBBCJK-UHFFFAOYSA-N 1 0 372.516 5.143 50 0 FKAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccc(C(C)C)cc1 ZINC000013748741 570788894 /nfs/dbraw/zinc/78/88/94/570788894.db2.gz RMWAXAWELFSSFN-UHFFFAOYSA-N 1 0 364.537 5.114 50 0 FKAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccc(F)cc1)[N@H+](C/C=C/c1ccccc1)CC2 ZINC000013769940 571097511 /nfs/dbraw/zinc/09/75/11/571097511.db2.gz WJIDANGHKXCJLA-TUZBMEMXSA-N 1 0 365.492 5.207 50 0 FKAARO O[C@]12CCCC[C@H]1[C@@H](c1ccc(F)cc1)[N@H+](C/C=C/c1ccccc1)CC2 ZINC000013769944 220093727 /nfs/dbraw/zinc/09/37/27/220093727.db2.gz WJIDANGHKXCJLA-JXOCAGRKSA-N 1 0 365.492 5.207 50 0 FKAARO CCCCN1C(=O)C2=C(CCCC2)[C@@H]1[NH2+]C1CCCCCCCCCCC1 ZINC000013896007 570795312 /nfs/dbraw/zinc/79/53/12/570795312.db2.gz OMJTVXLIJOZBKW-HSZRJFAPSA-N 1 0 374.613 6.088 50 0 FKAARO CCCCN1C(=O)C2=C(CCCC2)[C@H]1[NH2+]C1CCCCCCCCCCC1 ZINC000013896011 570795286 /nfs/dbraw/zinc/79/52/86/570795286.db2.gz OMJTVXLIJOZBKW-QHCPKHFHSA-N 1 0 374.613 6.088 50 0 FKAARO CN(CC[N@H+](C)C(C)(C)C)C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000013943002 570798424 /nfs/dbraw/zinc/79/84/24/570798424.db2.gz GOICJZRFQVESQG-UHFFFAOYSA-N 1 0 360.586 5.084 50 0 FKAARO O=C(C[NH2+][C@@H]1CCCc2ccccc21)Nc1ccccc1Oc1ccccc1 ZINC000014123946 220108947 /nfs/dbraw/zinc/10/89/47/220108947.db2.gz OROZGAJYFXQCSG-OAQYLSRUSA-N 1 0 372.468 5.085 50 0 FKAARO O=C(C[NH2+][C@H]1CCCc2ccccc21)Nc1ccccc1Oc1ccccc1 ZINC000014123949 211075179 /nfs/dbraw/zinc/07/51/79/211075179.db2.gz OROZGAJYFXQCSG-NRFANRHFSA-N 1 0 372.468 5.085 50 0 FKAARO C[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000014250683 570816047 /nfs/dbraw/zinc/81/60/47/570816047.db2.gz NDWUQIJNCQSOLB-CQSZACIVSA-N 1 0 372.390 5.148 50 0 FKAARO C[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000014250685 570816252 /nfs/dbraw/zinc/81/62/52/570816252.db2.gz NDWUQIJNCQSOLB-AWEZNQCLSA-N 1 0 372.390 5.148 50 0 FKAARO Clc1nc2ccccc2cc1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000014672875 220129826 /nfs/dbraw/zinc/12/98/26/220129826.db2.gz IGVUGPUJYNUBQY-QHCPKHFHSA-N 1 0 372.899 5.962 50 0 FKAARO Clc1nc2ccccc2cc1C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000014672876 570821774 /nfs/dbraw/zinc/82/17/74/570821774.db2.gz IGVUGPUJYNUBQY-HSZRJFAPSA-N 1 0 372.899 5.962 50 0 FKAARO COc1ccc(NC(=O)c2ccc(C[N@H+](C)C3CCCCCC3)cc2)cc1 ZINC000014705272 220129696 /nfs/dbraw/zinc/12/96/96/220129696.db2.gz YYZIMVKQLROVBT-UHFFFAOYSA-N 1 0 366.505 5.102 50 0 FKAARO Cc1ccc(-c2nc(C[NH+]3CCC(Cc4ccccc4)CC3)c(C)o2)o1 ZINC000014954403 570826838 /nfs/dbraw/zinc/82/68/38/570826838.db2.gz YRMQUISCVSHZFS-UHFFFAOYSA-N 1 0 350.462 5.006 50 0 FKAARO Cc1oc(-c2ccc(F)cc2)nc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000014961181 204592600 /nfs/dbraw/zinc/59/26/00/204592600.db2.gz FLXJNTJGTZGNDQ-UHFFFAOYSA-N 1 0 374.459 5.350 50 0 FKAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)cnn1-c1ccccc1 ZINC000014964951 211108069 /nfs/dbraw/zinc/10/80/69/211108069.db2.gz CPNBGWGEWIEKPH-CQSZACIVSA-N 1 0 359.395 5.050 50 0 FKAARO Cc1c([C@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)cnn1-c1ccccc1 ZINC000014964954 220136701 /nfs/dbraw/zinc/13/67/01/220136701.db2.gz CPNBGWGEWIEKPH-AWEZNQCLSA-N 1 0 359.395 5.050 50 0 FKAARO O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CC[NH+](C2CCC2)CC1 ZINC000014966049 211108816 /nfs/dbraw/zinc/10/88/16/211108816.db2.gz MNKWPSHVRFZICM-UHFFFAOYSA-N 1 0 373.500 5.038 50 0 FKAARO O=C(CCC1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccccc1 ZINC000014969408 211109400 /nfs/dbraw/zinc/10/94/00/211109400.db2.gz BMDIYFOBUXUVKH-UHFFFAOYSA-N 1 0 366.549 5.086 50 0 FKAARO Cc1ccc(C[NH2+][C@H](C)c2cnn(-c3cccc4ccccc43)c2C)s1 ZINC000014974450 570827429 /nfs/dbraw/zinc/82/74/29/570827429.db2.gz RVYHSEAQLOZMCE-MRXNPFEDSA-N 1 0 361.514 5.555 50 0 FKAARO Cc1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)s1 ZINC000014974453 220138351 /nfs/dbraw/zinc/13/83/51/220138351.db2.gz RVYHSEAQLOZMCE-INIZCTEOSA-N 1 0 361.514 5.555 50 0 FKAARO Fc1ccccc1-c1c[nH]nc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000014986440 211110321 /nfs/dbraw/zinc/11/03/21/211110321.db2.gz KXPDNPLEAOZGFQ-LJQANCHMSA-N 1 0 363.480 5.028 50 0 FKAARO Fc1ccccc1-c1c[nH]nc1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000014986441 211111795 /nfs/dbraw/zinc/11/17/95/211111795.db2.gz KXPDNPLEAOZGFQ-IBGZPJMESA-N 1 0 363.480 5.028 50 0 FKAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000014988554 220140151 /nfs/dbraw/zinc/14/01/51/220140151.db2.gz AZARSCZBJRFUPZ-GOSISDBHSA-N 1 0 367.443 5.043 50 0 FKAARO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000014988557 570828100 /nfs/dbraw/zinc/82/81/00/570828100.db2.gz AZARSCZBJRFUPZ-SFHVURJKSA-N 1 0 367.443 5.043 50 0 FKAARO Cc1cccc2cc(C[NH2+]CCc3ccccc3)c(-c3cccs3)nc12 ZINC000014988764 570827873 /nfs/dbraw/zinc/82/78/73/570827873.db2.gz YJAJQMKAAMAGCV-UHFFFAOYSA-N 1 0 358.510 5.604 50 0 FKAARO Cc1cccc2cc(C[NH2+]Cc3ccc(F)cc3)c(-c3cccs3)nc12 ZINC000014995852 570828301 /nfs/dbraw/zinc/82/83/01/570828301.db2.gz HEVLFPIVIPZPEZ-UHFFFAOYSA-N 1 0 362.473 5.701 50 0 FKAARO CC(C)=CCC[C@@H](C)C[N@@H+]1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000014996934 220140059 /nfs/dbraw/zinc/14/00/59/220140059.db2.gz NBEVJNPUGAFVMG-GOSISDBHSA-N 1 0 366.505 5.031 50 0 FKAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)c1 ZINC000015004389 211112810 /nfs/dbraw/zinc/11/28/10/211112810.db2.gz DAEXKOKLLGHFGG-QGZVFWFLSA-N 1 0 367.443 5.043 50 0 FKAARO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)c1 ZINC000015004391 220139935 /nfs/dbraw/zinc/13/99/35/220139935.db2.gz DAEXKOKLLGHFGG-KRWDZBQOSA-N 1 0 367.443 5.043 50 0 FKAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c1 ZINC000015005668 570828711 /nfs/dbraw/zinc/82/87/11/570828711.db2.gz BCXOZJPABOAVMA-GOSISDBHSA-N 1 0 367.443 5.043 50 0 FKAARO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c1 ZINC000015005670 570828913 /nfs/dbraw/zinc/82/89/13/570828913.db2.gz BCXOZJPABOAVMA-SFHVURJKSA-N 1 0 367.443 5.043 50 0 FKAARO C[C@@H](C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1)c1ccccc1 ZINC000015008481 570828877 /nfs/dbraw/zinc/82/88/77/570828877.db2.gz GFGRSSQONNCQAL-FXAWDEMLSA-N 1 0 363.480 5.199 50 0 FKAARO C[C@H](C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1)c1ccccc1 ZINC000015008484 570828905 /nfs/dbraw/zinc/82/89/05/570828905.db2.gz GFGRSSQONNCQAL-YLJYHZDGSA-N 1 0 363.480 5.199 50 0 FKAARO CSc1ccc(C(=O)[C@H]2CCCN(Cc3nc(C(C)C)cs3)C2)cc1 ZINC000015062751 220143015 /nfs/dbraw/zinc/14/30/15/220143015.db2.gz GXGVFZONWFNRPN-INIZCTEOSA-N 1 0 374.575 5.083 50 0 FKAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000015067271 570831072 /nfs/dbraw/zinc/83/10/72/570831072.db2.gz WPZUIUXWXREDEY-UHFFFAOYSA-N 1 0 364.411 5.289 50 0 FKAARO Cc1oc(-c2cccc(F)c2F)nc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000015075507 570832006 /nfs/dbraw/zinc/83/20/06/570832006.db2.gz JBOIUTPGZGXOTD-UHFFFAOYSA-N 1 0 368.427 5.308 50 0 FKAARO Clc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1ccccc1 ZINC000015083802 570833067 /nfs/dbraw/zinc/83/30/67/570833067.db2.gz ZYMDWUPRLLWXNV-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO C[NH+](C)Cc1ccc(CNc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000015513611 521907805 /nfs/dbraw/zinc/90/78/05/521907805.db2.gz FBTQMOIRDPGPEI-UHFFFAOYSA-N 1 0 374.513 5.032 50 0 FKAARO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccsc2)cc1 ZINC000015581272 211133026 /nfs/dbraw/zinc/13/30/26/211133026.db2.gz CSXVAFNOYHXRHV-UHFFFAOYSA-N 1 0 363.461 5.030 50 0 FKAARO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H](C)C1(C)O ZINC000015722836 211136954 /nfs/dbraw/zinc/13/69/54/211136954.db2.gz CBNTXTSZXBMDJP-YTFOQLDISA-N 1 0 364.316 5.402 50 0 FKAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1OCC ZINC000015836700 211146061 /nfs/dbraw/zinc/14/60/61/211146061.db2.gz QEPVSQJEYCNHGO-IBGZPJMESA-N 1 0 359.897 5.475 50 0 FKAARO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)ccc1OC(C)C ZINC000015836915 220167474 /nfs/dbraw/zinc/16/74/74/220167474.db2.gz AWJBXLZNLZEOSV-OAQYLSRUSA-N 1 0 369.505 5.218 50 0 FKAARO CCOc1cc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)ccc1OC(C)C ZINC000015836917 571134789 /nfs/dbraw/zinc/13/47/89/571134789.db2.gz AWJBXLZNLZEOSV-NRFANRHFSA-N 1 0 369.505 5.218 50 0 FKAARO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1OCC ZINC000015836920 220167707 /nfs/dbraw/zinc/16/77/07/220167707.db2.gz VCVMZTITLRRQHO-OAQYLSRUSA-N 1 0 369.505 5.220 50 0 FKAARO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1OCC ZINC000015836922 571134734 /nfs/dbraw/zinc/13/47/34/571134734.db2.gz VCVMZTITLRRQHO-NRFANRHFSA-N 1 0 369.505 5.220 50 0 FKAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC(C)C)c(OC)c2)cc1 ZINC000015836969 571134738 /nfs/dbraw/zinc/13/47/38/571134738.db2.gz VSJCUNWWGNQEOW-NRFANRHFSA-N 1 0 369.505 5.076 50 0 FKAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OCC(C)C)c(OC)c2)cc1 ZINC000015836973 220167238 /nfs/dbraw/zinc/16/72/38/220167238.db2.gz VSJCUNWWGNQEOW-OAQYLSRUSA-N 1 0 369.505 5.076 50 0 FKAARO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)ccc1OC(C)C ZINC000015837156 571134781 /nfs/dbraw/zinc/13/47/81/571134781.db2.gz NZMQJIJAHLFNMU-HXUWFJFHSA-N 1 0 357.469 5.349 50 0 FKAARO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)ccc1OC(C)C ZINC000015837161 220167194 /nfs/dbraw/zinc/16/71/94/220167194.db2.gz NZMQJIJAHLFNMU-FQEVSTJZSA-N 1 0 357.469 5.349 50 0 FKAARO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)ccc1OC(C)C ZINC000015837383 571134999 /nfs/dbraw/zinc/13/49/99/571134999.db2.gz AAJGMUMJCFQAGT-HXUWFJFHSA-N 1 0 357.469 5.349 50 0 FKAARO CCOc1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)ccc1OC(C)C ZINC000015837386 220167326 /nfs/dbraw/zinc/16/73/26/220167326.db2.gz AAJGMUMJCFQAGT-FQEVSTJZSA-N 1 0 357.469 5.349 50 0 FKAARO CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2c(C)cc(C)cc2[nH]1 ZINC000015862289 571138551 /nfs/dbraw/zinc/13/85/51/571138551.db2.gz SDJCWUDSGPKXLB-UHFFFAOYSA-N 1 0 368.908 5.211 50 0 FKAARO CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000015862290 220169824 /nfs/dbraw/zinc/16/98/24/220169824.db2.gz MLRHYUUQIQVRNU-UHFFFAOYSA-N 1 0 368.908 5.211 50 0 FKAARO CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000015862291 211147387 /nfs/dbraw/zinc/14/73/87/211147387.db2.gz XZEALPJYXSHODW-UHFFFAOYSA-N 1 0 358.844 5.145 50 0 FKAARO Cc1ccc2[nH]c(C[N@H+](Cc3ccc(Cl)cc3)CC(C)C)cc(=O)c2c1 ZINC000015862293 571138465 /nfs/dbraw/zinc/13/84/65/571138465.db2.gz WNFRVLSSJRKXIC-UHFFFAOYSA-N 1 0 368.908 5.148 50 0 FKAARO Cc1ccc(C[N@@H+](Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)CC(C)C)cc1 ZINC000015862310 211147243 /nfs/dbraw/zinc/14/72/43/211147243.db2.gz ZPAANFQBRREVRU-UHFFFAOYSA-N 1 0 362.517 5.112 50 0 FKAARO Cc1ccc(C[N@@H+](Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)CC(C)C)cc1 ZINC000015862312 571138393 /nfs/dbraw/zinc/13/83/93/571138393.db2.gz BKCOIMORAPCPNZ-UHFFFAOYSA-N 1 0 362.517 5.112 50 0 FKAARO Cc1ccc2[nH]c(CCc3cccc(NC(=O)c4ccccc4F)c3)nc2c1 ZINC000015863579 571139292 /nfs/dbraw/zinc/13/92/92/571139292.db2.gz VJEFAMQTOMAAAJ-UHFFFAOYSA-N 1 0 373.431 5.048 50 0 FKAARO Cc1ccc2[nH]c(CCc3cccc(NC(=O)c4cccc(C)c4)c3)nc2c1 ZINC000015863589 571139227 /nfs/dbraw/zinc/13/92/27/571139227.db2.gz INCCPKNZHNYTOI-UHFFFAOYSA-N 1 0 369.468 5.217 50 0 FKAARO Cc1ccc2[nH]c(CCc3cccc(NC(=O)CC4CCCC4)c3)nc2c1 ZINC000015863594 571139315 /nfs/dbraw/zinc/13/93/15/571139315.db2.gz UEXPBENNNAULCD-UHFFFAOYSA-N 1 0 361.489 5.175 50 0 FKAARO CCc1c(C)sc2c1CC[N@H+](Cc1ccc(C)cc1)[C@@H]2c1ccccc1 ZINC000015864865 211147221 /nfs/dbraw/zinc/14/72/21/211147221.db2.gz AMHLNEOJOIXMSV-HSZRJFAPSA-N 1 0 361.554 6.075 50 0 FKAARO CCc1c(C)sc2c1CC[N@H+](Cc1ccc(C)cc1)[C@H]2c1ccccc1 ZINC000015864866 220169859 /nfs/dbraw/zinc/16/98/59/220169859.db2.gz AMHLNEOJOIXMSV-QHCPKHFHSA-N 1 0 361.554 6.075 50 0 FKAARO C=Cc1ccc(C[N@H+]2CCc3c(CC)c(C)sc3[C@H]2c2ccccc2)cc1 ZINC000015864875 211148070 /nfs/dbraw/zinc/14/80/70/211148070.db2.gz YNWXCISGUIHPKJ-XMMPIXPASA-N 1 0 373.565 6.410 50 0 FKAARO C=Cc1ccc(C[N@H+]2CCc3c(CC)c(C)sc3[C@@H]2c2ccccc2)cc1 ZINC000015864876 571139575 /nfs/dbraw/zinc/13/95/75/571139575.db2.gz YNWXCISGUIHPKJ-DEOSSOPVSA-N 1 0 373.565 6.410 50 0 FKAARO Clc1ccc(-c2c[n+](-c3ccc(Cl)cc3)c3n2CCCCC3)cc1 ZINC000015952674 204626479 /nfs/dbraw/zinc/62/64/79/204626479.db2.gz JYKIGLBDAOYJFM-UHFFFAOYSA-N 1 0 358.292 5.465 50 0 FKAARO Cc1ccc(-[n+]2c(-c3cccs3)cn3c2CCc2ccccc2-3)cc1C ZINC000015953133 220173359 /nfs/dbraw/zinc/17/33/59/220173359.db2.gz ZRONIXKMAMYHIM-UHFFFAOYSA-N 1 0 357.502 5.198 50 0 FKAARO Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCc2ccccc2-3)c(C)c1 ZINC000015953139 570848419 /nfs/dbraw/zinc/84/84/19/570848419.db2.gz FMGRGIOUUGFHJP-UHFFFAOYSA-N 1 0 351.473 5.136 50 0 FKAARO C[C@@H]1CSc2n1c(-c1ccccc1)c[n+]2-c1cccc(C(F)(F)F)c1 ZINC000015961064 211150974 /nfs/dbraw/zinc/15/09/74/211150974.db2.gz RDKOIBFYQJHVRZ-CYBMUJFWSA-N 1 0 361.412 5.117 50 0 FKAARO C[C@H]1CSc2n1c(-c1ccccc1)c[n+]2-c1cccc(C(F)(F)F)c1 ZINC000015961066 570848409 /nfs/dbraw/zinc/84/84/09/570848409.db2.gz RDKOIBFYQJHVRZ-ZDUSSCGKSA-N 1 0 361.412 5.117 50 0 FKAARO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)N(Cc2ccco2)C2=CCCCC2)c1 ZINC000016047191 220176231 /nfs/dbraw/zinc/17/62/31/220176231.db2.gz SWADNKLAHFBLDN-LJQANCHMSA-N 1 0 366.505 5.034 50 0 FKAARO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)N(Cc2ccco2)C2=CCCCC2)c1 ZINC000016047192 571152480 /nfs/dbraw/zinc/15/24/80/571152480.db2.gz SWADNKLAHFBLDN-IBGZPJMESA-N 1 0 366.505 5.034 50 0 FKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1cccc(C)c1 ZINC000016349253 211159050 /nfs/dbraw/zinc/15/90/50/211159050.db2.gz GPXJCRMAGMBTHC-IBGZPJMESA-N 1 0 361.485 5.433 50 0 FKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1cccc(C)c1 ZINC000016349257 220183800 /nfs/dbraw/zinc/18/38/00/220183800.db2.gz GPXJCRMAGMBTHC-LJQANCHMSA-N 1 0 361.485 5.433 50 0 FKAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1cccc(C)c1 ZINC000016349284 220183458 /nfs/dbraw/zinc/18/34/58/220183458.db2.gz BEIOWPOQOATLEZ-UHFFFAOYSA-N 1 0 353.506 5.395 50 0 FKAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1cccc(C)c1 ZINC000016349357 220184308 /nfs/dbraw/zinc/18/43/08/220184308.db2.gz QNRRQODDGJBBOU-UHFFFAOYSA-N 1 0 365.448 5.012 50 0 FKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccccc1C ZINC000016362733 211158190 /nfs/dbraw/zinc/15/81/90/211158190.db2.gz OAHQINOFZUCMMA-IBGZPJMESA-N 1 0 361.485 5.433 50 0 FKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1ccccc1C ZINC000016362735 570855395 /nfs/dbraw/zinc/85/53/95/570855395.db2.gz OAHQINOFZUCMMA-LJQANCHMSA-N 1 0 361.485 5.433 50 0 FKAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccccc1C ZINC000016362751 570855236 /nfs/dbraw/zinc/85/52/36/570855236.db2.gz DVLPMWDEUUDIHM-UHFFFAOYSA-N 1 0 353.506 5.395 50 0 FKAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1ccccc1C ZINC000016362794 211158698 /nfs/dbraw/zinc/15/86/98/211158698.db2.gz WANNBAHUIGVVRW-UHFFFAOYSA-N 1 0 365.448 5.012 50 0 FKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CC2)c(Cl)c1 ZINC000016384975 220184451 /nfs/dbraw/zinc/18/44/51/220184451.db2.gz MCPKJYYRQQIEJB-UHFFFAOYSA-N 1 0 356.680 5.478 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000016399551 220184518 /nfs/dbraw/zinc/18/45/18/220184518.db2.gz SVWPYMOXZCVOIN-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(C[NH2+]Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000016399557 220184044 /nfs/dbraw/zinc/18/40/44/220184044.db2.gz CHMYGOKWFLDVHL-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]C3CCCCC3)c2)c(Cl)c1 ZINC000016399596 220184162 /nfs/dbraw/zinc/18/41/62/220184162.db2.gz GMCGGQDBXFHIAX-UHFFFAOYSA-N 1 0 364.316 5.995 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000016401421 207585711 /nfs/dbraw/zinc/58/57/11/207585711.db2.gz YKPXQTREGRMHOM-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]C3CCCCC3)cc2)c(Cl)c1 ZINC000016401540 211161342 /nfs/dbraw/zinc/16/13/42/211161342.db2.gz JYZHQQBWBJWASV-UHFFFAOYSA-N 1 0 364.316 5.995 50 0 FKAARO Fc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401610 570855827 /nfs/dbraw/zinc/85/58/27/570855827.db2.gz DOMTZKKDHQKBEO-UHFFFAOYSA-N 1 0 373.830 5.487 50 0 FKAARO Fc1ccc(C[NH2+]Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000016401621 570855673 /nfs/dbraw/zinc/85/56/73/570855673.db2.gz HZRWIOOHLJKMHN-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCCC2)cc1 ZINC000016401771 204635110 /nfs/dbraw/zinc/63/51/10/204635110.db2.gz BBGUJRONHYNMGU-UHFFFAOYSA-N 1 0 361.888 5.871 50 0 FKAARO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2cccs2)cc1 ZINC000016430632 570855774 /nfs/dbraw/zinc/85/57/74/570855774.db2.gz NUOCNHZBHJJXCU-UHFFFAOYSA-N 1 0 361.869 5.409 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000016449540 211160879 /nfs/dbraw/zinc/16/08/79/211160879.db2.gz LRTXFRVEXPRLGE-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000016449544 570856273 /nfs/dbraw/zinc/85/62/73/570856273.db2.gz PERKFSCHQSSHLZ-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000016449549 570856195 /nfs/dbraw/zinc/85/61/95/570856195.db2.gz ISEJEMLVOAUURK-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000016449554 211161451 /nfs/dbraw/zinc/16/14/51/211161451.db2.gz VBUDYUVRDNQBOB-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000016449559 211161377 /nfs/dbraw/zinc/16/13/77/211161377.db2.gz ACFFBLBHZQFPIB-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000016449564 220185088 /nfs/dbraw/zinc/18/50/88/220185088.db2.gz ZDAOSRVWWSFZJA-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Clc1ccc(COc2ccccc2C[NH2+]C2CCCCC2)c(Cl)c1 ZINC000016449619 211160835 /nfs/dbraw/zinc/16/08/35/211160835.db2.gz WWBZEYKKQVLTND-UHFFFAOYSA-N 1 0 364.316 5.995 50 0 FKAARO Fc1ccc(COc2ccccc2C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000016449681 211160624 /nfs/dbraw/zinc/16/06/24/211160624.db2.gz DWFKZVKFBMIVPY-UHFFFAOYSA-N 1 0 374.459 5.218 50 0 FKAARO Fc1ccccc1COc1ccccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000016449687 211161560 /nfs/dbraw/zinc/16/15/60/211161560.db2.gz WVNYZOVRCFEUFA-UHFFFAOYSA-N 1 0 374.459 5.218 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000016449690 220185188 /nfs/dbraw/zinc/18/51/88/220185188.db2.gz CIFUNCVUSLZHCD-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2Cl)cc1 ZINC000016449695 570856310 /nfs/dbraw/zinc/85/63/10/570856310.db2.gz ZFJKYFALGRMOKL-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(C[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000016449733 207585435 /nfs/dbraw/zinc/58/54/35/207585435.db2.gz VHBDXVCJXVLIJJ-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO Fc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2Cl)cc1 ZINC000016449738 220185332 /nfs/dbraw/zinc/18/53/32/220185332.db2.gz YAETVWXVPKCWGT-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)cc1 ZINC000016449741 570856126 /nfs/dbraw/zinc/85/61/26/570856126.db2.gz PYDMMBAAHBWKBA-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1ccccc1C[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000016449745 570856733 /nfs/dbraw/zinc/85/67/33/570856733.db2.gz VHNJXXBACWDMSM-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]Cc3ccccc3Cl)c2)cc1 ZINC000016449761 211161360 /nfs/dbraw/zinc/16/13/60/211161360.db2.gz KVBHCQIUQJQKQT-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Fc1ccc(COc2cccc(C[NH2+]Cc3ccccc3Cl)c2)cc1 ZINC000016449762 570856767 /nfs/dbraw/zinc/85/67/67/570856767.db2.gz VMAPBFHUGQPXHK-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO Clc1ccccc1C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000016449766 570856782 /nfs/dbraw/zinc/85/67/82/570856782.db2.gz MIDPRKNNJDQXGI-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Fc1ccccc1COc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000016449768 570856722 /nfs/dbraw/zinc/85/67/22/570856722.db2.gz VHVAIFQDXIHRIO-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000016449881 570856699 /nfs/dbraw/zinc/85/66/99/570856699.db2.gz WMGKYAONTPLXPV-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000016449887 570856760 /nfs/dbraw/zinc/85/67/60/570856760.db2.gz KDLPJMMZJDGQKF-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000016449947 570856702 /nfs/dbraw/zinc/85/67/02/570856702.db2.gz MFVSYWGXFBQUOJ-UHFFFAOYSA-N 1 0 361.888 5.871 50 0 FKAARO Fc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2F)cc1 ZINC000016450016 570856682 /nfs/dbraw/zinc/85/66/82/570856682.db2.gz QKHFQUVOPFNPLA-UHFFFAOYSA-N 1 0 373.830 5.487 50 0 FKAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]Cc1cccs1 ZINC000016450030 207586523 /nfs/dbraw/zinc/58/65/23/207586523.db2.gz VPCVKDJNZRPDLC-UHFFFAOYSA-N 1 0 361.869 5.409 50 0 FKAARO Fc1ccccc1COc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000016450063 570856766 /nfs/dbraw/zinc/85/67/66/570856766.db2.gz UBYZADFRYMMNRH-UHFFFAOYSA-N 1 0 374.459 5.218 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000016450065 204635770 /nfs/dbraw/zinc/63/57/70/204635770.db2.gz HEDSXBLRJSUNNF-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000016450074 211161288 /nfs/dbraw/zinc/16/12/88/211161288.db2.gz KGAVGKSDGWBRFP-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO c1ccc(CC[NH2+]Cc2c(OCc3ccccc3)ccc3ccccc32)cc1 ZINC000016479308 204636119 /nfs/dbraw/zinc/63/61/19/204636119.db2.gz YKKQQABZFACNEE-UHFFFAOYSA-N 1 0 367.492 5.751 50 0 FKAARO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]CCc2ccccc2)cc1 ZINC000016479326 570857211 /nfs/dbraw/zinc/85/72/11/570857211.db2.gz MAAFGYXSUPCNPJ-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Clc1ccc(OCc2ccccc2)c(C[NH2+]CCc2ccccc2)c1 ZINC000016479337 570857107 /nfs/dbraw/zinc/85/71/07/570857107.db2.gz IGIVFTZPGAOPNX-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCc1ccccc1 ZINC000016479349 570857197 /nfs/dbraw/zinc/85/71/97/570857197.db2.gz OMSSIDFBBNAFKV-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]CCc3ccccc3)cc2)cc1 ZINC000016479352 220185504 /nfs/dbraw/zinc/18/55/04/220185504.db2.gz KKFGKMFEAMWYJU-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO Clc1ccccc1COc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000016479360 220184802 /nfs/dbraw/zinc/18/48/02/220184802.db2.gz LKBDJLUJIOYMKM-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]CCc3ccccc3)c2)cc1 ZINC000016479369 570857184 /nfs/dbraw/zinc/85/71/84/570857184.db2.gz IFXGKXNNFWPNNV-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO Clc1ccccc1COc1cccc(C[NH2+]CCc2ccccc2)c1 ZINC000016479381 570857194 /nfs/dbraw/zinc/85/71/94/570857194.db2.gz UIDKPECCIGZURX-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO Clc1ccc(COc2ccccc2C[NH2+]CCc2ccccc2)cc1 ZINC000016479393 570856970 /nfs/dbraw/zinc/85/69/70/570856970.db2.gz CQPWGLACNBMCRE-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO Clc1ccccc1COc1ccccc1C[NH2+]CCc1ccccc1 ZINC000016479405 211162007 /nfs/dbraw/zinc/16/20/07/211162007.db2.gz IEHAAPZXCVTCPE-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccc2)cc1 ZINC000016480085 570857050 /nfs/dbraw/zinc/85/70/50/570857050.db2.gz KEAWWWJZUKNFFE-UHFFFAOYSA-N 1 0 371.455 5.848 50 0 FKAARO c1ccc(C[NH2+]Cc2c(OCc3ccccc3)ccc3ccccc32)cc1 ZINC000016480090 211160425 /nfs/dbraw/zinc/16/04/25/211160425.db2.gz WXZQUBYDSAQIMZ-UHFFFAOYSA-N 1 0 353.465 5.709 50 0 FKAARO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1ccccc1 ZINC000016480096 211161584 /nfs/dbraw/zinc/16/15/84/211161584.db2.gz CWUHRQXXBXOLMW-UHFFFAOYSA-N 1 0 371.455 5.848 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccccc3)cc2)c(Cl)c1 ZINC000016480120 220185824 /nfs/dbraw/zinc/18/58/24/220185824.db2.gz HAQJONIFNYLPTK-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]Cc3ccccc3)c2)c(Cl)c1 ZINC000016480134 570857063 /nfs/dbraw/zinc/85/70/63/570857063.db2.gz FTKSYBZMBRKKJD-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1ccc(COc2ccccc2C[NH2+]Cc2ccccc2)c(Cl)c1 ZINC000016480155 570857237 /nfs/dbraw/zinc/85/72/37/570857237.db2.gz UQBSKYZXLSUCBM-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000016480415 220185740 /nfs/dbraw/zinc/18/57/40/220185740.db2.gz SYVKRCYLUNZVLF-UHFFFAOYSA-N 1 0 356.469 5.079 50 0 FKAARO Brc1ccc(OCc2ccccc2)c(C[NH2+]C2CCCCC2)c1 ZINC000016480502 206318894 /nfs/dbraw/zinc/31/88/94/206318894.db2.gz IRFXYRRHWMSOAK-UHFFFAOYSA-N 1 0 374.322 5.450 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000016480547 570857201 /nfs/dbraw/zinc/85/72/01/570857201.db2.gz ULUMSUVFNWJJOD-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000016480553 570857026 /nfs/dbraw/zinc/85/70/26/570857026.db2.gz DLXJCELLJYWVEN-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000016480564 204636052 /nfs/dbraw/zinc/63/60/52/204636052.db2.gz CQGJLLDMSJWGRE-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO c1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCCC2)cc1 ZINC000016480615 211160320 /nfs/dbraw/zinc/16/03/20/211160320.db2.gz GOTCDSZEEKOISH-UHFFFAOYSA-N 1 0 359.513 6.231 50 0 FKAARO Fc1ccc(C[NH2+]Cc2c(OCc3ccccc3)ccc3ccccc32)cc1 ZINC000016480645 220185346 /nfs/dbraw/zinc/18/53/46/220185346.db2.gz OJSLXICOMWZSAS-UHFFFAOYSA-N 1 0 371.455 5.848 50 0 FKAARO c1csc(C[NH2+]Cc2c(OCc3ccccc3)ccc3ccccc32)c1 ZINC000016480654 220185615 /nfs/dbraw/zinc/18/56/15/220185615.db2.gz KGGDQYPCKGSQTC-UHFFFAOYSA-N 1 0 359.494 5.770 50 0 FKAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000016480708 570857007 /nfs/dbraw/zinc/85/70/07/570857007.db2.gz MBVAVCQAKZNOGF-UHFFFAOYSA-N 1 0 356.469 5.079 50 0 FKAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000016480778 570857219 /nfs/dbraw/zinc/85/72/19/570857219.db2.gz DHMIBLLMEXRDGO-UHFFFAOYSA-N 1 0 356.469 5.079 50 0 FKAARO Fc1ccc(COc2cccc(C[NH2+]CCc3c[nH]c4ccccc34)c2)cc1 ZINC000016525354 570857419 /nfs/dbraw/zinc/85/74/19/570857419.db2.gz SVRDDOYJZACNGH-UHFFFAOYSA-N 1 0 374.459 5.218 50 0 FKAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CC2)c(Cl)c1 ZINC000016525841 211163410 /nfs/dbraw/zinc/16/34/10/211163410.db2.gz CEKSCIWQWQPLPN-UHFFFAOYSA-N 1 0 372.295 5.978 50 0 FKAARO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCC2)cc1 ZINC000016525853 570857531 /nfs/dbraw/zinc/85/75/31/570857531.db2.gz XSCWMEXZUZSCFB-UHFFFAOYSA-N 1 0 363.476 5.980 50 0 FKAARO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1CCCCC1 ZINC000016525859 570857676 /nfs/dbraw/zinc/85/76/76/570857676.db2.gz RGOVKJUSHNLQGP-UHFFFAOYSA-N 1 0 363.476 5.980 50 0 FKAARO O=C(Nc1ccccc1-c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016607398 220188807 /nfs/dbraw/zinc/18/88/07/220188807.db2.gz NCOMMNLDBOCGQJ-UHFFFAOYSA-N 1 0 370.496 5.204 50 0 FKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+][C@@H](Cc2ccccc2)c2ccccc2)o1 ZINC000016677704 570860079 /nfs/dbraw/zinc/86/00/79/570860079.db2.gz FXSBMZUIPOWPDA-CVDCTZTESA-N 1 0 361.529 6.218 50 0 FKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+][C@@H](Cc2ccccc2)c2ccccc2)o1 ZINC000016677705 570860110 /nfs/dbraw/zinc/86/01/10/570860110.db2.gz FXSBMZUIPOWPDA-XXBNENTESA-N 1 0 361.529 6.218 50 0 FKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+][C@H](Cc2ccccc2)c2ccccc2)o1 ZINC000016677706 220191421 /nfs/dbraw/zinc/19/14/21/220191421.db2.gz FXSBMZUIPOWPDA-WMZHIEFXSA-N 1 0 361.529 6.218 50 0 FKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+][C@H](Cc2ccccc2)c2ccccc2)o1 ZINC000016677707 570860036 /nfs/dbraw/zinc/86/00/36/570860036.db2.gz FXSBMZUIPOWPDA-AUSIDOKSSA-N 1 0 361.529 6.218 50 0 FKAARO COc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1 ZINC000016677757 211166776 /nfs/dbraw/zinc/16/67/76/211166776.db2.gz GLAWGAJBLDJJOM-QHCPKHFHSA-N 1 0 360.501 5.242 50 0 FKAARO COc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1 ZINC000016677758 211166224 /nfs/dbraw/zinc/16/62/24/211166224.db2.gz GLAWGAJBLDJJOM-HSZRJFAPSA-N 1 0 360.501 5.242 50 0 FKAARO CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc2c1O[C@H](c1ccsc1)OC2 ZINC000016695695 570861154 /nfs/dbraw/zinc/86/11/54/570861154.db2.gz MARXIEPXUFOSFT-UYAOXDASSA-N 1 0 361.482 5.260 50 0 FKAARO CC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc2c1O[C@H](c1ccsc1)OC2 ZINC000016695696 570860741 /nfs/dbraw/zinc/86/07/41/570860741.db2.gz MARXIEPXUFOSFT-AZUAARDMSA-N 1 0 361.482 5.260 50 0 FKAARO Cc1ccc(C2=C/C(=C\c3cc[n+](C)cc3C)c3cc(C)ccc3O2)cc1 ZINC000016739317 220192754 /nfs/dbraw/zinc/19/27/54/220192754.db2.gz RFFYGESBMCCKDR-HYARGMPZSA-N 1 0 354.473 5.410 50 0 FKAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000016949092 570470502 /nfs/dbraw/zinc/47/05/02/570470502.db2.gz KVYUHOPVUTYJPS-BMZZKGLRSA-N 1 0 361.460 5.125 50 0 FKAARO Cc1ccc(-c2c[n+](Cc3ccc(Cl)cc3Cl)c3n2CCC3)cc1 ZINC000016955813 211173637 /nfs/dbraw/zinc/17/36/37/211173637.db2.gz OCTSTFUBTLDZPF-UHFFFAOYSA-N 1 0 358.292 5.052 50 0 FKAARO Cc1ccccc1C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 ZINC000016994294 570864622 /nfs/dbraw/zinc/86/46/22/570864622.db2.gz GCCUPDMCWDOMAS-UHFFFAOYSA-N 1 0 358.292 5.052 50 0 FKAARO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1 ZINC000017309591 570748879 /nfs/dbraw/zinc/74/88/79/570748879.db2.gz VXECLIOZHQIARP-MRXNPFEDSA-N 1 0 364.876 5.443 50 0 FKAARO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1 ZINC000017309592 570748998 /nfs/dbraw/zinc/74/89/98/570748998.db2.gz VXECLIOZHQIARP-INIZCTEOSA-N 1 0 364.876 5.443 50 0 FKAARO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1)c1ccccc1 ZINC000017309595 211184662 /nfs/dbraw/zinc/18/46/62/211184662.db2.gz AKFDYGKIIDNHIF-GOSISDBHSA-N 1 0 373.525 5.511 50 0 FKAARO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1)c1ccccc1 ZINC000017309596 220214293 /nfs/dbraw/zinc/21/42/93/220214293.db2.gz AKFDYGKIIDNHIF-SFHVURJKSA-N 1 0 373.525 5.511 50 0 FKAARO Clc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccco2)c1 ZINC000017309681 211184172 /nfs/dbraw/zinc/18/41/72/211184172.db2.gz YLUSYIRAIMSPBL-UHFFFAOYSA-N 1 0 363.848 5.076 50 0 FKAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3cccc(Cl)c3)c2)cc1 ZINC000017310531 570748864 /nfs/dbraw/zinc/74/88/64/570748864.db2.gz KSTCZUFVHFXBGT-UHFFFAOYSA-N 1 0 364.876 5.191 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000017311309 220214041 /nfs/dbraw/zinc/21/40/41/220214041.db2.gz GILZQETYELUPHR-UHFFFAOYSA-N 1 0 364.876 5.191 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)cc1 ZINC000017311314 570749191 /nfs/dbraw/zinc/74/91/91/570749191.db2.gz RNJTWGNLOSEBNV-UHFFFAOYSA-N 1 0 373.525 5.258 50 0 FKAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)c3ccccc3C)c2)cc1 ZINC000017312513 570749203 /nfs/dbraw/zinc/74/92/03/570749203.db2.gz DMORKIDDDZXERR-LJQANCHMSA-N 1 0 358.485 5.407 50 0 FKAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)c3ccccc3C)c2)cc1 ZINC000017312515 207619806 /nfs/dbraw/zinc/61/98/06/207619806.db2.gz DMORKIDDDZXERR-IBGZPJMESA-N 1 0 358.485 5.407 50 0 FKAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H](C)c1ccccc1Cl ZINC000017314538 220213851 /nfs/dbraw/zinc/21/38/51/220213851.db2.gz GXMKOMDPFYHXLZ-MRXNPFEDSA-N 1 0 367.924 5.361 50 0 FKAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000017314540 220213770 /nfs/dbraw/zinc/21/37/70/220213770.db2.gz GXMKOMDPFYHXLZ-INIZCTEOSA-N 1 0 367.924 5.361 50 0 FKAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000017314609 211184889 /nfs/dbraw/zinc/18/48/89/211184889.db2.gz DEXARCFNYFLGQR-OAHLLOKOSA-N 1 0 353.897 5.052 50 0 FKAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000017314611 211184722 /nfs/dbraw/zinc/18/47/22/211184722.db2.gz DEXARCFNYFLGQR-HNNXBMFYSA-N 1 0 353.897 5.052 50 0 FKAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000017314625 211184844 /nfs/dbraw/zinc/18/48/44/211184844.db2.gz JADZBAXKCRBADF-MRXNPFEDSA-N 1 0 367.924 5.361 50 0 FKAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000017314627 220214276 /nfs/dbraw/zinc/21/42/76/220214276.db2.gz JADZBAXKCRBADF-INIZCTEOSA-N 1 0 367.924 5.361 50 0 FKAARO Cc1ccccc1C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000017314694 220213576 /nfs/dbraw/zinc/21/35/76/220213576.db2.gz VWJXYJWKRXICPO-UHFFFAOYSA-N 1 0 364.876 5.191 50 0 FKAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000017315193 220213496 /nfs/dbraw/zinc/21/34/96/220213496.db2.gz OLGIOGQAKIOFOF-OAHLLOKOSA-N 1 0 353.897 5.052 50 0 FKAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000017315196 571278992 /nfs/dbraw/zinc/27/89/92/571278992.db2.gz OLGIOGQAKIOFOF-HNNXBMFYSA-N 1 0 353.897 5.052 50 0 FKAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000017315218 570748903 /nfs/dbraw/zinc/74/89/03/570748903.db2.gz ZCXJWTDWQDNABK-MRXNPFEDSA-N 1 0 367.924 5.361 50 0 FKAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000017315220 211185364 /nfs/dbraw/zinc/18/53/64/211185364.db2.gz ZCXJWTDWQDNABK-INIZCTEOSA-N 1 0 367.924 5.361 50 0 FKAARO Cc1ccc([C@@H](C)[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)o1 ZINC000017319592 570749557 /nfs/dbraw/zinc/74/95/57/570749557.db2.gz OGQWQIYAMYCRBZ-LJQANCHMSA-N 1 0 371.484 5.351 50 0 FKAARO Cc1ccc([C@H](C)[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)o1 ZINC000017319593 211185397 /nfs/dbraw/zinc/18/53/97/211185397.db2.gz OGQWQIYAMYCRBZ-IBGZPJMESA-N 1 0 371.484 5.351 50 0 FKAARO CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000018936021 220232835 /nfs/dbraw/zinc/23/28/35/220232835.db2.gz HNYKNOLGUJLSEY-UHFFFAOYSA-N 1 0 361.894 5.147 50 0 FKAARO CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000018936026 571124695 /nfs/dbraw/zinc/12/46/95/571124695.db2.gz JAAXCFQJUVRGPN-UHFFFAOYSA-N 1 0 361.894 5.147 50 0 FKAARO Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4ccccc4F)C3)c(C)o2)s1 ZINC000019225336 220242081 /nfs/dbraw/zinc/24/20/81/220242081.db2.gz YSUWCLJCQJFTHX-OAHLLOKOSA-N 1 0 356.466 5.149 50 0 FKAARO Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](c4ccccc4F)C3)c(C)o2)s1 ZINC000019225340 220240770 /nfs/dbraw/zinc/24/07/70/220240770.db2.gz YSUWCLJCQJFTHX-HNNXBMFYSA-N 1 0 356.466 5.149 50 0 FKAARO Cc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC000019229320 570883117 /nfs/dbraw/zinc/88/31/17/570883117.db2.gz HXNRNKORWPXUHX-UHFFFAOYSA-N 1 0 367.443 5.043 50 0 FKAARO C(=C/c1ccccc1)\CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019313160 570885612 /nfs/dbraw/zinc/88/56/12/570885612.db2.gz RDNHEFWZOKNXKM-DHZHZOJOSA-N 1 0 366.508 5.087 50 0 FKAARO CC[C@H](c1ccc(OC)cc1)N(C)C[N@H+](C)[C@H](CC)c1ccc(OC)cc1 ZINC000019321511 571160314 /nfs/dbraw/zinc/16/03/14/571160314.db2.gz YXAIRMNQLUEZSJ-DHIUTWEWSA-N 1 0 370.537 5.127 50 0 FKAARO CC[C@@H](c1ccc(OC)cc1)N(C)C[N@H+](C)[C@@H](CC)c1ccc(OC)cc1 ZINC000019323868 570885801 /nfs/dbraw/zinc/88/58/01/570885801.db2.gz YXAIRMNQLUEZSJ-GOTSBHOMSA-N 1 0 370.537 5.127 50 0 FKAARO CC[C@H](c1ccc(OC)cc1)N(C)C[N@H+](C)[C@@H](CC)c1ccc(OC)cc1 ZINC000019323870 570885681 /nfs/dbraw/zinc/88/56/81/570885681.db2.gz YXAIRMNQLUEZSJ-ZRZAMGCNSA-N 1 0 370.537 5.127 50 0 FKAARO CCc1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019359760 570887353 /nfs/dbraw/zinc/88/73/53/570887353.db2.gz IBHIGHXMWAXHKA-UHFFFAOYSA-N 1 0 370.540 5.156 50 0 FKAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000019536234 570892172 /nfs/dbraw/zinc/89/21/72/570892172.db2.gz OXVPKNGYDKFBFQ-UHFFFAOYSA-N 1 0 370.418 5.181 50 0 FKAARO C(=C/c1ccccc1)\CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019632891 570896170 /nfs/dbraw/zinc/89/61/70/570896170.db2.gz DERZBLKQOCDDDZ-JLHYYAGUSA-N 1 0 368.524 5.107 50 0 aggregator,world FKAARO Cc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)s1 ZINC000019634704 570896384 /nfs/dbraw/zinc/89/63/84/570896384.db2.gz JSGUKLDPENYQBE-HXUWFJFHSA-N 1 0 351.519 5.026 50 0 FKAARO Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)s1 ZINC000019634708 570896192 /nfs/dbraw/zinc/89/61/92/570896192.db2.gz JSGUKLDPENYQBE-FQEVSTJZSA-N 1 0 351.519 5.026 50 0 FKAARO CCOc1cc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)ccc1OC ZINC000019721042 570901364 /nfs/dbraw/zinc/90/13/64/570901364.db2.gz NTZVVYNGGFOLFS-QFIPXVFZSA-N 1 0 361.485 5.168 50 0 FKAARO CCOc1cc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)ccc1OC ZINC000019721043 570901233 /nfs/dbraw/zinc/90/12/33/570901233.db2.gz NTZVVYNGGFOLFS-JOCHJYFZSA-N 1 0 361.485 5.168 50 0 FKAARO CCn1c2ccccc2c2cc(C[NH2+]CCc3ccc(Cl)cc3)ccc21 ZINC000019721081 220292396 /nfs/dbraw/zinc/29/23/96/220292396.db2.gz LTAVACPDPVBMDR-UHFFFAOYSA-N 1 0 362.904 5.800 50 0 FKAARO c1[nH]nc(-c2ccccc2)c1C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000019722693 570901258 /nfs/dbraw/zinc/90/12/58/570901258.db2.gz CALWOJIHEDRGBR-UHFFFAOYSA-N 1 0 367.496 5.322 50 0 FKAARO Clc1ccc(OCCCC[NH2+]Cc2ccccc2Cl)c(Cl)c1 ZINC000019737602 570901378 /nfs/dbraw/zinc/90/13/78/570901378.db2.gz YQBOIHAEFINMOK-UHFFFAOYSA-N 1 0 358.696 5.596 50 0 FKAARO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c(C)c1 ZINC000019760646 570902250 /nfs/dbraw/zinc/90/22/50/570902250.db2.gz DJQSQUYKHMHLPD-UHFFFAOYSA-N 1 0 370.496 5.114 50 0 FKAARO CCc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019760812 570902168 /nfs/dbraw/zinc/90/21/68/570902168.db2.gz ZHMWAIZTZKVAAF-UHFFFAOYSA-N 1 0 370.496 5.060 50 0 FKAARO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1C ZINC000019770414 570902230 /nfs/dbraw/zinc/90/22/30/570902230.db2.gz ZRVIGLCGGWQTGL-UHFFFAOYSA-N 1 0 370.496 5.114 50 0 FKAARO Cc1c([C@@H](C)[NH2+]Cc2cnc(-c3ccccc3)s2)cnn1-c1ccccc1 ZINC000019773798 263376320 /nfs/dbraw/zinc/37/63/20/263376320.db2.gz YEFCREPTTUBRCZ-MRXNPFEDSA-N 1 0 374.513 5.155 50 0 FKAARO Cc1c([C@H](C)[NH2+]Cc2cnc(-c3ccccc3)s2)cnn1-c1ccccc1 ZINC000019773800 263376394 /nfs/dbraw/zinc/37/63/94/263376394.db2.gz YEFCREPTTUBRCZ-INIZCTEOSA-N 1 0 374.513 5.155 50 0 FKAARO CCOc1cc(C[NH2+]C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000019777609 263376583 /nfs/dbraw/zinc/37/65/83/263376583.db2.gz MEALOMJJFSFYCY-UHFFFAOYSA-N 1 0 374.695 5.344 50 0 FKAARO CCOc1cc(C[NH2+]C)cc(Cl)c1OCc1c(Cl)cccc1Cl ZINC000019777610 263376733 /nfs/dbraw/zinc/37/67/33/263376733.db2.gz YCJAUMQLLSEESW-UHFFFAOYSA-N 1 0 374.695 5.344 50 0 FKAARO Cc1ccccc1C[NH+](CCc1ccc2c(c1)OCO2)Cc1ccccc1C ZINC000019794777 525130574 /nfs/dbraw/zinc/13/05/74/525130574.db2.gz ZHISBWCIEZEKPW-UHFFFAOYSA-N 1 0 373.496 5.277 50 0 FKAARO CCC(=O)O[C@@]1(c2ccc(C3CC3)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000019802223 571327292 /nfs/dbraw/zinc/32/72/92/571327292.db2.gz IEUXNSOWPMMTRK-DEOSSOPVSA-N 1 0 363.501 5.009 50 0 FKAARO CCC(=O)O[C@]1(c2ccc(C3CC3)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000019802226 571327358 /nfs/dbraw/zinc/32/73/58/571327358.db2.gz IEUXNSOWPMMTRK-XMMPIXPASA-N 1 0 363.501 5.009 50 0 FKAARO CC(C)[NH+]1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019802388 220297936 /nfs/dbraw/zinc/29/79/36/220297936.db2.gz KZUYNEYIJRBPII-LJQANCHMSA-N 1 0 372.965 5.114 50 0 FKAARO CC(C)[NH+]1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019802390 220299279 /nfs/dbraw/zinc/29/92/79/220299279.db2.gz KZUYNEYIJRBPII-IBGZPJMESA-N 1 0 372.965 5.114 50 0 FKAARO CCN1CCC[C@@H]1C[NH2+][C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000019802434 211258031 /nfs/dbraw/zinc/25/80/31/211258031.db2.gz YFPIRWFEOJUQFS-IEBWSBKVSA-N 1 0 372.965 5.162 50 0 FKAARO CCN1CCC[C@H]1C[NH2+][C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000019802436 220298454 /nfs/dbraw/zinc/29/84/54/220298454.db2.gz YFPIRWFEOJUQFS-PKOBYXMFSA-N 1 0 372.965 5.162 50 0 FKAARO CCN1CCC[C@@H]([NH2+][C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)C1 ZINC000019802442 211256605 /nfs/dbraw/zinc/25/66/05/211256605.db2.gz RONGSPKZYAIJGX-IEBWSBKVSA-N 1 0 372.965 5.162 50 0 FKAARO CCN1CCC[C@H]([NH2+][C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)C1 ZINC000019802444 207712824 /nfs/dbraw/zinc/71/28/24/207712824.db2.gz RONGSPKZYAIJGX-PKOBYXMFSA-N 1 0 372.965 5.162 50 0 FKAARO Clc1ccc2c(c1)C[C@H]([NH2+]CCc1ccccc1)c1ccccc1S2 ZINC000019802500 570903295 /nfs/dbraw/zinc/90/32/95/570903295.db2.gz FYIRJNNYCMVAJY-FQEVSTJZSA-N 1 0 365.929 5.921 50 0 FKAARO Clc1ccc2c(c1)C[C@@H]([NH2+]CCc1ccccc1)c1ccccc1S2 ZINC000019802501 220298143 /nfs/dbraw/zinc/29/81/43/220298143.db2.gz FYIRJNNYCMVAJY-HXUWFJFHSA-N 1 0 365.929 5.921 50 0 FKAARO Cc1ccc(C)c(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000019832604 220302152 /nfs/dbraw/zinc/30/21/52/220302152.db2.gz XKPWBFRCWHRMFO-UHFFFAOYSA-N 1 0 370.496 5.114 50 0 FKAARO Cc1cc(C)cc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000019832606 220302288 /nfs/dbraw/zinc/30/22/88/220302288.db2.gz FJWFJVFCDOKDIY-UHFFFAOYSA-N 1 0 370.496 5.114 50 0 FKAARO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c(OC)c1C ZINC000019841314 524084702 /nfs/dbraw/zinc/08/47/02/524084702.db2.gz NTDZDEGTHKCBEQ-QFIPXVFZSA-N 1 0 361.485 5.086 50 0 FKAARO COc1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c(OC)c1C ZINC000019841316 524090621 /nfs/dbraw/zinc/09/06/21/524090621.db2.gz NTDZDEGTHKCBEQ-JOCHJYFZSA-N 1 0 361.485 5.086 50 0 FKAARO Clc1ccccc1CN1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019842166 570904469 /nfs/dbraw/zinc/90/44/69/570904469.db2.gz SULWWKZJHDDCLO-UHFFFAOYSA-N 1 0 368.952 5.184 50 0 FKAARO Clc1cccc(CN2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 ZINC000019842170 570904243 /nfs/dbraw/zinc/90/42/43/570904243.db2.gz MYHMUCGHSKHLRT-UHFFFAOYSA-N 1 0 368.952 5.184 50 0 FKAARO CCc1ccc(CN2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000019842392 570904226 /nfs/dbraw/zinc/90/42/26/570904226.db2.gz QATIZVULOCDWKW-UHFFFAOYSA-N 1 0 362.561 5.093 50 0 FKAARO c1ccc(CC[N@H+](Cc2ccccc2)Cc2cccc3ccccc32)cc1 ZINC000019849819 526465235 /nfs/dbraw/zinc/46/52/35/526465235.db2.gz WEHSOFQDERWPIL-UHFFFAOYSA-N 1 0 351.493 6.085 50 0 FKAARO C[N@H+](Cc1cc2cc(F)ccc2[nH]1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000019850218 523183689 /nfs/dbraw/zinc/18/36/89/523183689.db2.gz DJNLLPCLPDDPQN-UHFFFAOYSA-N 1 0 374.419 5.075 50 0 FKAARO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000019853585 571327466 /nfs/dbraw/zinc/32/74/66/571327466.db2.gz QRSUQEQCPCGVMD-UHFFFAOYSA-N 1 0 362.498 5.272 50 0 FKAARO COc1cc2c(cc1OC)[C@H]([C@@H](c1ccccc1)c1ccc(C)cc1)[NH2+]CC2 ZINC000019853631 570904776 /nfs/dbraw/zinc/90/47/76/570904776.db2.gz DDGCLVTZEWOIMF-LOSJGSFVSA-N 1 0 373.496 5.031 50 0 FKAARO COc1cc2c(cc1OC)[C@@H]([C@@H](c1ccccc1)c1ccc(C)cc1)[NH2+]CC2 ZINC000019853633 570905001 /nfs/dbraw/zinc/90/50/01/570905001.db2.gz DDGCLVTZEWOIMF-DQEYMECFSA-N 1 0 373.496 5.031 50 0 FKAARO COc1cc2c(cc1OC)[C@H]([C@H](c1ccccc1)c1ccc(C)cc1)[NH2+]CC2 ZINC000019853635 211259185 /nfs/dbraw/zinc/25/91/85/211259185.db2.gz DDGCLVTZEWOIMF-JWQCQUIFSA-N 1 0 373.496 5.031 50 0 FKAARO COc1cc2c(cc1OC)[C@@H]([C@H](c1ccccc1)c1ccc(C)cc1)[NH2+]CC2 ZINC000019853638 570904804 /nfs/dbraw/zinc/90/48/04/570904804.db2.gz DDGCLVTZEWOIMF-RPBOFIJWSA-N 1 0 373.496 5.031 50 0 FKAARO O[C@@H](C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 ZINC000019872482 527652851 /nfs/dbraw/zinc/65/28/51/527652851.db2.gz ASLRYPGIFKSHGM-SFHVURJKSA-N 1 0 362.256 5.077 50 0 FKAARO O[C@H](C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 ZINC000019872484 526277790 /nfs/dbraw/zinc/27/77/90/526277790.db2.gz ASLRYPGIFKSHGM-GOSISDBHSA-N 1 0 362.256 5.077 50 0 FKAARO O[C@@H](C[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 ZINC000019872531 527652767 /nfs/dbraw/zinc/65/27/67/527652767.db2.gz ZNGSTGKJRPQKLQ-SFHVURJKSA-N 1 0 362.256 5.077 50 0 FKAARO O[C@H](C[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 ZINC000019872533 526278230 /nfs/dbraw/zinc/27/82/30/526278230.db2.gz ZNGSTGKJRPQKLQ-GOSISDBHSA-N 1 0 362.256 5.077 50 0 FKAARO [NH3+][C@@H](c1ccc(Cl)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000019897259 220303378 /nfs/dbraw/zinc/30/33/78/220303378.db2.gz XYWOIRSXJAXQRI-LJQANCHMSA-N 1 0 373.776 5.648 50 0 FKAARO [NH3+][C@H](c1ccc(Cl)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000019897260 570905834 /nfs/dbraw/zinc/90/58/34/570905834.db2.gz XYWOIRSXJAXQRI-IBGZPJMESA-N 1 0 373.776 5.648 50 0 FKAARO Cc1cccc(C)c1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020028441 211263130 /nfs/dbraw/zinc/26/31/30/211263130.db2.gz JAIFWJBLUVTGTN-UHFFFAOYSA-N 1 0 370.496 5.114 50 0 FKAARO CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020108157 571327968 /nfs/dbraw/zinc/32/79/68/571327968.db2.gz ZKJMPYIDMQIGNU-PGRDOPGGSA-N 1 0 350.506 5.222 50 0 FKAARO CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020108159 571327951 /nfs/dbraw/zinc/32/79/51/571327951.db2.gz GYZUJEAEHADFSP-DNVFCKCGSA-N 1 0 364.533 5.468 50 0 FKAARO CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020108161 220312358 /nfs/dbraw/zinc/31/23/58/220312358.db2.gz GYZUJEAEHADFSP-SELNLUPBSA-N 1 0 364.533 5.468 50 0 FKAARO Cc1cccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1C ZINC000020149102 211270001 /nfs/dbraw/zinc/27/00/01/211270001.db2.gz PXJLCUCNAHNABV-UHFFFAOYSA-N 1 0 370.496 5.114 50 0 FKAARO COc1ccc(-c2nc(C[N@@H+]3C[C@H]4C[C@@H]3CCC4)c(C)o2)c2ccccc12 ZINC000020149376 211271051 /nfs/dbraw/zinc/27/10/51/211271051.db2.gz QOOWIAJNWXGWRQ-SJORKVTESA-N 1 0 362.473 5.186 50 0 FKAARO CC1=C(C)[C@@H]([NH2+]C2CCCCCCCCCCC2)N(CCC(C)C)C1=O ZINC000020157647 263378462 /nfs/dbraw/zinc/37/84/62/263378462.db2.gz HEFFFXUAQCILGO-QFIPXVFZSA-N 1 0 362.602 5.800 50 0 FKAARO OC(C[NH2+]Cc1ccc(Cl)cc1Cl)(c1ccccc1)c1ccccc1 ZINC000020219105 527503642 /nfs/dbraw/zinc/50/36/42/527503642.db2.gz RUBBJTFKKHUEPV-UHFFFAOYSA-N 1 0 372.295 5.019 50 0 FKAARO O[C@@](C[NH2+]Cc1cccc(Cl)c1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020219106 527680321 /nfs/dbraw/zinc/68/03/21/527680321.db2.gz KTCSCPRRKZKCIY-NRFANRHFSA-N 1 0 372.295 5.019 50 0 FKAARO O[C@](C[NH2+]Cc1cccc(Cl)c1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020219107 526318625 /nfs/dbraw/zinc/31/86/25/526318625.db2.gz KTCSCPRRKZKCIY-OAQYLSRUSA-N 1 0 372.295 5.019 50 0 FKAARO O[C@@](C[NH2+]Cc1ccc(Cl)cc1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020219108 220318566 /nfs/dbraw/zinc/31/85/66/220318566.db2.gz JFKJXGRVBYQCDG-NRFANRHFSA-N 1 0 372.295 5.019 50 0 FKAARO O[C@](C[NH2+]Cc1ccc(Cl)cc1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020219109 571328566 /nfs/dbraw/zinc/32/85/66/571328566.db2.gz JFKJXGRVBYQCDG-OAQYLSRUSA-N 1 0 372.295 5.019 50 0 FKAARO c1coc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc4ccccc43)C2)c1 ZINC000020256239 211273680 /nfs/dbraw/zinc/27/36/80/211273680.db2.gz FPJFHDPYOPGNKR-GOSISDBHSA-N 1 0 357.457 5.203 50 0 FKAARO c1coc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc4ccccc43)C2)c1 ZINC000020256241 220320982 /nfs/dbraw/zinc/32/09/82/220320982.db2.gz FPJFHDPYOPGNKR-SFHVURJKSA-N 1 0 357.457 5.203 50 0 FKAARO Clc1ccc(CC[NH2+]Cc2cc(Br)cs2)c(Cl)c1 ZINC000020306068 211273925 /nfs/dbraw/zinc/27/39/25/211273925.db2.gz HYBHWRUOJNPGJP-UHFFFAOYSA-N 1 0 365.123 5.150 50 0 FKAARO CCc1ccc([C@@H]([NH2+]Cc2cc(Br)cs2)C(C)C)cc1 ZINC000020306508 570880809 /nfs/dbraw/zinc/88/08/09/570880809.db2.gz JXOUQNKFYDXTMX-KRWDZBQOSA-N 1 0 352.341 5.560 50 0 FKAARO CCc1ccc([C@H]([NH2+]Cc2cc(Br)cs2)C(C)C)cc1 ZINC000020306510 524051973 /nfs/dbraw/zinc/05/19/73/524051973.db2.gz JXOUQNKFYDXTMX-QGZVFWFLSA-N 1 0 352.341 5.560 50 0 FKAARO CC1(C)CC(Nc2ncnc3scc(-c4ccccc4)c32)CC(C)(C)[NH2+]1 ZINC000020321724 570914493 /nfs/dbraw/zinc/91/44/93/570914493.db2.gz BPXDDWJTZSDUHK-UHFFFAOYSA-N 1 0 366.534 5.079 50 0 FKAARO OC(C[NH2+]Cc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccccc1 ZINC000020365321 527503306 /nfs/dbraw/zinc/50/33/06/527503306.db2.gz QSRJFDLGXIEFAD-UHFFFAOYSA-N 1 0 372.295 5.019 50 0 FKAARO OC(C[NH2+]Cc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365325 220323754 /nfs/dbraw/zinc/32/37/54/220323754.db2.gz ZYKQHJJHAYFFNG-UHFFFAOYSA-N 1 0 372.295 5.019 50 0 FKAARO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020367351 522442664 /nfs/dbraw/zinc/44/26/64/522442664.db2.gz GPXOYOSARFQLMK-UHFFFAOYSA-N 1 0 359.897 5.268 50 0 FKAARO COc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020367353 522441721 /nfs/dbraw/zinc/44/17/21/522441721.db2.gz GALIMZCDBGWUPZ-UHFFFAOYSA-N 1 0 373.924 5.658 50 0 FKAARO CCCC[N@H+](Cc1cccs1)Cc1cc(=O)oc2ccc(OCC)cc12 ZINC000020446842 520549469 /nfs/dbraw/zinc/54/94/69/520549469.db2.gz XMUSQFMCWOZELC-UHFFFAOYSA-N 1 0 371.502 5.056 50 0 FKAARO Cc1ccc2c(C[NH+](Cc3ccccc3)Cc3ccccc3)cc(=O)oc2c1 ZINC000020446889 571329526 /nfs/dbraw/zinc/32/95/26/571329526.db2.gz OXNOQUFBLRVQSY-UHFFFAOYSA-N 1 0 369.464 5.304 50 0 FKAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000020452708 524111256 /nfs/dbraw/zinc/11/12/56/524111256.db2.gz NIIGMQZXDDMXRL-GOSISDBHSA-N 1 0 367.443 5.043 50 0 FKAARO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000020452710 524111479 /nfs/dbraw/zinc/11/14/79/524111479.db2.gz NIIGMQZXDDMXRL-SFHVURJKSA-N 1 0 367.443 5.043 50 0 FKAARO CC(C)(C)[NH2+][C@@H]1C=C(c2ccccc2)Sc2nc(-c3ccccc3)cn21 ZINC000020467973 570917510 /nfs/dbraw/zinc/91/75/10/570917510.db2.gz FKJSRUCOJAJJAH-FQEVSTJZSA-N 1 0 361.514 5.584 50 0 FKAARO CC(C)(C)[NH2+][C@H]1C=C(c2ccccc2)Sc2nc(-c3ccccc3)cn21 ZINC000020467975 220327146 /nfs/dbraw/zinc/32/71/46/220327146.db2.gz FKJSRUCOJAJJAH-HXUWFJFHSA-N 1 0 361.514 5.584 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000020476753 526410316 /nfs/dbraw/zinc/41/03/16/526410316.db2.gz VRNYZCHFUXIUPF-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000020476780 526330124 /nfs/dbraw/zinc/33/01/24/526330124.db2.gz WOTIYKMBSMLAIY-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO CCOc1c(Cl)cc(C[NH2+]CCc2c[nH]c3ccccc23)cc1Cl ZINC000020476867 570917750 /nfs/dbraw/zinc/91/77/50/570917750.db2.gz IZMRHWRADFMFKF-UHFFFAOYSA-N 1 0 363.288 5.206 50 0 FKAARO CCCCOc1c(Cl)cc(C[NH2+]CCc2ccccc2)cc1OCC ZINC000020501003 570918619 /nfs/dbraw/zinc/91/86/19/570918619.db2.gz IXCCUNKYQHUTOH-UHFFFAOYSA-N 1 0 361.913 5.250 50 0 FKAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(-c3ccccc3)cc1)[NH2+]CC2 ZINC000020506930 211283652 /nfs/dbraw/zinc/28/36/52/211283652.db2.gz ZECGBUYROKQBIO-VWLOTQADSA-N 1 0 373.496 5.386 50 0 FKAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(-c3ccccc3)cc1)[NH2+]CC2 ZINC000020506932 570918633 /nfs/dbraw/zinc/91/86/33/570918633.db2.gz ZECGBUYROKQBIO-RUZDIDTESA-N 1 0 373.496 5.386 50 0 FKAARO Cc1scc(CN2CC[NH+](C3CCCCC3)CC2)c1-c1ccc(C)cc1 ZINC000020514439 571330344 /nfs/dbraw/zinc/33/03/44/571330344.db2.gz HLYQOXIDEDAYJX-UHFFFAOYSA-N 1 0 368.590 5.482 50 0 FKAARO c1cc(C[NH+]2CCC(c3n[nH]cc3-c3ccc4ccccc4c3)CC2)co1 ZINC000020535538 220332718 /nfs/dbraw/zinc/33/27/18/220332718.db2.gz GSQSICZZFFJMHB-UHFFFAOYSA-N 1 0 357.457 5.203 50 0 FKAARO Cc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3cccc(F)c3F)CC2)c1 ZINC000020536084 524106914 /nfs/dbraw/zinc/10/69/14/524106914.db2.gz GJWSMMNVRRRCDR-UHFFFAOYSA-N 1 0 367.443 5.043 50 0 FKAARO CC1(C)CC(N(Cc2cccs2)C(=O)Nc2ccccc2)CC(C)(C)[NH2+]1 ZINC000020568231 520283382 /nfs/dbraw/zinc/28/33/82/520283382.db2.gz OVHOAKRLZNYCJL-UHFFFAOYSA-N 1 0 371.550 5.091 50 0 FKAARO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020573277 520726714 /nfs/dbraw/zinc/72/67/14/520726714.db2.gz HRNUOVSNRWPUAM-INIZCTEOSA-N 1 0 361.913 5.514 50 0 FKAARO CCOc1cc(C[NH2+][C@H](C)CC)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020573278 520729435 /nfs/dbraw/zinc/72/94/35/520729435.db2.gz HRNUOVSNRWPUAM-MRXNPFEDSA-N 1 0 361.913 5.514 50 0 FKAARO CCC/C=C/C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2c(C)noc2C)s1 ZINC000020781516 211296122 /nfs/dbraw/zinc/29/61/22/211296122.db2.gz MZCFZWOZKRWDAK-FYCOFBDGSA-N 1 0 373.522 5.098 50 0 FKAARO CCC/C=C/C[N@@H+]1CCC[C@H]1c1ccc(C(=O)Nc2c(C)noc2C)s1 ZINC000020781519 570925178 /nfs/dbraw/zinc/92/51/78/570925178.db2.gz MZCFZWOZKRWDAK-MOEXGYKKSA-N 1 0 373.522 5.098 50 0 FKAARO CCOc1ccc([C@@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000020864923 220342404 /nfs/dbraw/zinc/34/24/04/220342404.db2.gz ZEUCKHDHJWGZFK-NRFANRHFSA-N 1 0 364.514 5.009 50 0 FKAARO CCOc1ccc([C@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000020864925 220343049 /nfs/dbraw/zinc/34/30/49/220343049.db2.gz ZEUCKHDHJWGZFK-OAQYLSRUSA-N 1 0 364.514 5.009 50 0 FKAARO CCOc1cccc([C@@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864936 220342435 /nfs/dbraw/zinc/34/24/35/220342435.db2.gz HMFANTJFQWDUDB-NRFANRHFSA-N 1 0 364.514 5.009 50 0 FKAARO CCOc1cccc([C@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864940 211298108 /nfs/dbraw/zinc/29/81/08/211298108.db2.gz HMFANTJFQWDUDB-OAQYLSRUSA-N 1 0 364.514 5.009 50 0 FKAARO Cc1ccc(COc2ccccc2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020873573 211297850 /nfs/dbraw/zinc/29/78/50/211297850.db2.gz XFKYIEZXEGOBQP-UHFFFAOYSA-N 1 0 361.529 5.632 50 0 FKAARO Cc1ccc(COc2ccccc2C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000020873579 524631321 /nfs/dbraw/zinc/63/13/21/524631321.db2.gz HSHAJSHKRIOKOM-UHFFFAOYSA-N 1 0 361.529 5.488 50 0 FKAARO Cc1ccc(COc2ccccc2C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000020873654 524631176 /nfs/dbraw/zinc/63/11/76/524631176.db2.gz SXYZWHXZWJIDAM-UHFFFAOYSA-N 1 0 370.496 5.388 50 0 FKAARO Cc1ccc(COc2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000020873694 211297281 /nfs/dbraw/zinc/29/72/81/211297281.db2.gz SZHDKDXNMOCARQ-UHFFFAOYSA-N 1 0 361.529 5.632 50 0 FKAARO Cc1ccc(COc2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000020873700 211296997 /nfs/dbraw/zinc/29/69/97/211296997.db2.gz RQRKBYWXRGCQLB-UHFFFAOYSA-N 1 0 361.529 5.488 50 0 FKAARO Cc1ccc(COc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)cc1 ZINC000020873713 570926105 /nfs/dbraw/zinc/92/61/05/570926105.db2.gz XVTULYZCUAMLBB-UHFFFAOYSA-N 1 0 351.877 5.517 50 0 FKAARO Cc1ccc(COc2ccc(C[NH2+]CCc3c[nH]c4ccccc34)cc2)cc1 ZINC000020873766 570926117 /nfs/dbraw/zinc/92/61/17/570926117.db2.gz OGVOZBZXWDIHSN-UHFFFAOYSA-N 1 0 370.496 5.388 50 0 FKAARO COc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccc(C)cc1 ZINC000020873930 526031437 /nfs/dbraw/zinc/03/14/37/526031437.db2.gz NDXYZJJWVOZWQM-IBGZPJMESA-N 1 0 361.485 5.433 50 0 FKAARO COc1cccc(C[NH2+][C@H](C)c2ccccc2)c1OCc1ccc(C)cc1 ZINC000020873932 526036657 /nfs/dbraw/zinc/03/66/57/526036657.db2.gz NDXYZJJWVOZWQM-LJQANCHMSA-N 1 0 361.485 5.433 50 0 FKAARO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCc1ccc(C)cc1 ZINC000020873982 526023369 /nfs/dbraw/zinc/02/33/69/526023369.db2.gz ZFUXTTOYFGKZLU-UHFFFAOYSA-N 1 0 365.448 5.012 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCCC2)c1OCc1ccc(C)cc1 ZINC000020874005 570926034 /nfs/dbraw/zinc/92/60/34/570926034.db2.gz WWTNRPZIGOBOCZ-UHFFFAOYSA-N 1 0 353.506 5.395 50 0 FKAARO COc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1ccc(C)cc1 ZINC000020874010 570925972 /nfs/dbraw/zinc/92/59/72/570925972.db2.gz IRSIXRMPNBVBJR-UHFFFAOYSA-N 1 0 369.549 5.887 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCCCC2)c1OCc1ccc(C)cc1 ZINC000020874012 220344935 /nfs/dbraw/zinc/34/49/35/220344935.db2.gz JSWSXLRNRQBWLY-UHFFFAOYSA-N 1 0 367.533 5.785 50 0 FKAARO COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccc(C)cc1 ZINC000020874015 526024518 /nfs/dbraw/zinc/02/45/18/526024518.db2.gz HMWAGWHKCLYENE-UHFFFAOYSA-N 1 0 361.485 5.181 50 0 FKAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccc2)cc1 ZINC000020874143 524630711 /nfs/dbraw/zinc/63/07/11/524630711.db2.gz DIOSUWUHJBNLAR-UHFFFAOYSA-N 1 0 367.492 6.017 50 0 FKAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCC2)cc1 ZINC000020874145 570926238 /nfs/dbraw/zinc/92/62/38/570926238.db2.gz VXWNDIXZWYVHFX-UHFFFAOYSA-N 1 0 359.513 6.150 50 0 FKAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccnc2)cc1 ZINC000020874174 524630257 /nfs/dbraw/zinc/63/02/57/524630257.db2.gz CBNVLQRYJMUBSN-UHFFFAOYSA-N 1 0 368.480 5.412 50 0 FKAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccs2)cc1 ZINC000020874181 524631150 /nfs/dbraw/zinc/63/11/50/524631150.db2.gz NALVJFSWJUVOKN-UHFFFAOYSA-N 1 0 373.521 6.079 50 0 FKAARO CCOCCC[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874188 220344338 /nfs/dbraw/zinc/34/43/38/220344338.db2.gz FSYULBQBBKSSGH-UHFFFAOYSA-N 1 0 363.501 5.243 50 0 FKAARO CCCCCC[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874194 570926055 /nfs/dbraw/zinc/92/60/55/570926055.db2.gz YRDOTYFOVMCGTA-UHFFFAOYSA-N 1 0 361.529 6.397 50 0 FKAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCCC2)cc1 ZINC000020874252 570926224 /nfs/dbraw/zinc/92/62/24/570926224.db2.gz NXBWOCKEGZQKQT-UHFFFAOYSA-N 1 0 373.540 6.540 50 0 FKAARO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000020874275 520723654 /nfs/dbraw/zinc/72/36/54/520723654.db2.gz JIXZYEJHVCPQRG-UHFFFAOYSA-N 1 0 361.485 5.263 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc(C)cc1 ZINC000020874277 520710139 /nfs/dbraw/zinc/71/01/39/520710139.db2.gz KCOJCKGUOGCFFK-UHFFFAOYSA-N 1 0 353.506 5.395 50 0 FKAARO CCOc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccc(C)cc1 ZINC000020874318 520725884 /nfs/dbraw/zinc/72/58/84/520725884.db2.gz FKLSKLFERRJCNO-UHFFFAOYSA-N 1 0 367.514 5.324 50 0 FKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874331 520094495 /nfs/dbraw/zinc/09/44/95/520094495.db2.gz KJLHJCMMLZMVRW-UHFFFAOYSA-N 1 0 355.522 5.643 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccc(C)cc1 ZINC000020874392 520709661 /nfs/dbraw/zinc/70/96/61/520709661.db2.gz WGUYTGCLONXBSJ-UHFFFAOYSA-N 1 0 367.533 5.785 50 0 FKAARO Cc1ccc(COc2cccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000020874420 211297521 /nfs/dbraw/zinc/29/75/21/211297521.db2.gz FFLCCJKAEDJDFT-UHFFFAOYSA-N 1 0 361.529 5.632 50 0 FKAARO Cc1ccc(COc2cccc(C[NH2+]C3C4CC5CC(C4)CC3C5)c2)cc1 ZINC000020874426 524631315 /nfs/dbraw/zinc/63/13/15/524631315.db2.gz GEJZLGBMYCBYHJ-UHFFFAOYSA-N 1 0 361.529 5.488 50 0 FKAARO Cc1ccc(COc2cccc(C[NH2+]Cc3ccccc3Cl)c2)cc1 ZINC000020874443 524630316 /nfs/dbraw/zinc/63/03/16/524630316.db2.gz PTKNJLTZXBTBDL-UHFFFAOYSA-N 1 0 351.877 5.517 50 0 FKAARO Cc1ccc(COc2cccc(C[NH2+]CCc3c[nH]c4ccccc34)c2)cc1 ZINC000020874504 524630616 /nfs/dbraw/zinc/63/06/16/524630616.db2.gz WRXLEVKSPCHNKI-UHFFFAOYSA-N 1 0 370.496 5.388 50 0 FKAARO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C(C)(C)C)cc1 ZINC000020874535 220343788 /nfs/dbraw/zinc/34/37/88/220343788.db2.gz XCBIVZRDRNKKAT-UHFFFAOYSA-N 1 0 362.311 5.225 50 0 FKAARO CCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874558 520691652 /nfs/dbraw/zinc/69/16/52/520691652.db2.gz WEAQSYLZFSXCQM-UHFFFAOYSA-N 1 0 362.311 5.226 50 0 FKAARO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCC2)cc1 ZINC000020874560 524628933 /nfs/dbraw/zinc/62/89/33/524628933.db2.gz RQUXPSFXEZXJIL-UHFFFAOYSA-N 1 0 374.322 5.369 50 0 FKAARO Cc1ccc(COc2ccc(Br)cc2C[NH2+]CC(C)C)cc1 ZINC000020874588 220344609 /nfs/dbraw/zinc/34/46/09/220344609.db2.gz MVOQVGJBYBWCCC-UHFFFAOYSA-N 1 0 362.311 5.082 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874590 522230456 /nfs/dbraw/zinc/23/04/56/522230456.db2.gz UUWJVUYYBIIWHC-OAHLLOKOSA-N 1 0 362.311 5.225 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874592 524005020 /nfs/dbraw/zinc/00/50/20/524005020.db2.gz UUWJVUYYBIIWHC-HNNXBMFYSA-N 1 0 362.311 5.225 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874798 570926168 /nfs/dbraw/zinc/92/61/68/570926168.db2.gz XBYQJPPZHYWFQE-UHFFFAOYSA-N 1 0 361.913 5.514 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874822 520692459 /nfs/dbraw/zinc/69/24/59/520692459.db2.gz FRTMBXSUKGUUOB-UHFFFAOYSA-N 1 0 361.913 5.516 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874824 520708815 /nfs/dbraw/zinc/70/88/15/520708815.db2.gz MASCICWFVRRDOM-UHFFFAOYSA-N 1 0 373.924 5.658 50 0 FKAARO CCOc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874859 520710183 /nfs/dbraw/zinc/71/01/83/520710183.db2.gz YXHIYKOVMSKDBE-UHFFFAOYSA-N 1 0 361.913 5.372 50 0 FKAARO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020874979 570926280 /nfs/dbraw/zinc/92/62/80/570926280.db2.gz DPRGTZOQAUDRPU-UHFFFAOYSA-N 1 0 361.913 5.516 50 0 FKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccccc2)cc1 ZINC000020875068 524628812 /nfs/dbraw/zinc/62/88/12/524628812.db2.gz MZMDHUUMGAWGIH-UHFFFAOYSA-N 1 0 351.877 5.517 50 0 FKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000020875092 524629042 /nfs/dbraw/zinc/62/90/42/524629042.db2.gz MATXMCMDMRVTFW-GOSISDBHSA-N 1 0 365.904 6.078 50 0 FKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000020875094 524628359 /nfs/dbraw/zinc/62/83/59/524628359.db2.gz MATXMCMDMRVTFW-SFHVURJKSA-N 1 0 365.904 6.078 50 0 FKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCc2ccccc2)cc1 ZINC000020875102 524629153 /nfs/dbraw/zinc/62/91/53/524629153.db2.gz PIVMBIJMHZEVAA-UHFFFAOYSA-N 1 0 365.904 5.560 50 0 FKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2cccs2)cc1 ZINC000020875112 524628682 /nfs/dbraw/zinc/62/86/82/524628682.db2.gz RLSRYHIFWHNIQD-UHFFFAOYSA-N 1 0 357.906 5.579 50 0 FKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000020875157 524629216 /nfs/dbraw/zinc/62/92/16/524629216.db2.gz UQJIAQSBZHCSKX-UHFFFAOYSA-N 1 0 369.867 5.656 50 0 FKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCCC2)cc1 ZINC000020875189 524628442 /nfs/dbraw/zinc/62/84/42/524628442.db2.gz AKDULFKRNHRORY-UHFFFAOYSA-N 1 0 357.925 6.040 50 0 FKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000020875195 570926264 /nfs/dbraw/zinc/92/62/64/570926264.db2.gz ULSKSBZADKBSCI-UHFFFAOYSA-N 1 0 373.968 6.532 50 0 FKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCCCC2)cc1 ZINC000020875197 524629493 /nfs/dbraw/zinc/62/94/93/524629493.db2.gz WDUIBHVLIUMKRC-UHFFFAOYSA-N 1 0 371.952 6.430 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 ZINC000020875201 524583026 /nfs/dbraw/zinc/58/30/26/524583026.db2.gz RPJFXYANURZOQM-UHFFFAOYSA-N 1 0 365.904 5.826 50 0 FKAARO Clc1cc(Br)ccc1-c1ccc(C[NH2+]C2CCCCC2)o1 ZINC000020875588 206345129 /nfs/dbraw/zinc/34/51/29/206345129.db2.gz YSNXQAJVSSVVMF-UHFFFAOYSA-N 1 0 368.702 5.785 50 0 FKAARO Clc1cc(Br)ccc1-c1ccc(C[NH2+]C2CCCC2)o1 ZINC000020875613 211297960 /nfs/dbraw/zinc/29/79/60/211297960.db2.gz RNVHPMNEFXZSRV-UHFFFAOYSA-N 1 0 354.675 5.395 50 0 FKAARO CCCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875644 520227529 /nfs/dbraw/zinc/22/75/29/520227529.db2.gz BOXLRARJPJOSQU-UHFFFAOYSA-N 1 0 356.691 5.642 50 0 FKAARO CCCCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875646 570925923 /nfs/dbraw/zinc/92/59/23/570925923.db2.gz FFFQHIHJDJGOFB-UHFFFAOYSA-N 1 0 370.718 6.032 50 0 FKAARO Cc1cc(-c2ccc(C[NH2+]Cc3ccccc3)o2)ccc1Br ZINC000020875727 526040024 /nfs/dbraw/zinc/04/00/24/526040024.db2.gz RFNBOJVIYMPQGC-UHFFFAOYSA-N 1 0 356.263 5.307 50 0 FKAARO Cc1cc(-c2ccc(C[NH2+][C@H](C)c3ccccc3)o2)ccc1Br ZINC000020875748 526042362 /nfs/dbraw/zinc/04/23/62/526042362.db2.gz AUMRZJNBVBXHNU-OAHLLOKOSA-N 1 0 370.290 5.868 50 0 FKAARO Cc1cc(-c2ccc(C[NH2+][C@@H](C)c3ccccc3)o2)ccc1Br ZINC000020875750 526042334 /nfs/dbraw/zinc/04/23/34/526042334.db2.gz AUMRZJNBVBXHNU-HNNXBMFYSA-N 1 0 370.290 5.868 50 0 FKAARO Cc1cc(-c2ccc(C[NH2+]CCc3ccccc3)o2)ccc1Br ZINC000020875758 526039571 /nfs/dbraw/zinc/03/95/71/526039571.db2.gz WJNNUBLVGMSGRR-UHFFFAOYSA-N 1 0 370.290 5.350 50 0 FKAARO Cc1cc(-c2ccc(C[NH2+]Cc3cccs3)o2)ccc1Br ZINC000020875768 526038985 /nfs/dbraw/zinc/03/89/85/526038985.db2.gz RCQNWGIATIWRLR-UHFFFAOYSA-N 1 0 362.292 5.369 50 0 FKAARO CCCCCC[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000020875786 520093822 /nfs/dbraw/zinc/09/38/22/520093822.db2.gz NLPHDYZWFBMWOB-UHFFFAOYSA-N 1 0 350.300 5.687 50 0 FKAARO Cc1cc(-c2ccc(C[NH2+]Cc3ccc(F)cc3)o2)ccc1Br ZINC000020875813 526039126 /nfs/dbraw/zinc/03/91/26/526039126.db2.gz DOZKWWGZNUBLNJ-UHFFFAOYSA-N 1 0 374.253 5.446 50 0 FKAARO Cc1cc(-c2ccc(C[NH2+]C3CCCCCC3)o2)ccc1Br ZINC000020875846 211296804 /nfs/dbraw/zinc/29/68/04/211296804.db2.gz QIKGKLXXIIMLAS-UHFFFAOYSA-N 1 0 362.311 5.830 50 0 FKAARO Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(Br)c(C)c3)o2)cc1 ZINC000020875856 524584222 /nfs/dbraw/zinc/58/42/22/524584222.db2.gz PFDFXWDURSPEIK-UHFFFAOYSA-N 1 0 370.290 5.616 50 0 FKAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2ccccc2)o1 ZINC000020875867 526161981 /nfs/dbraw/zinc/16/19/81/526161981.db2.gz IFVJBHQYXWKOGW-UHFFFAOYSA-N 1 0 356.263 5.307 50 0 FKAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+][C@H](C)c2ccccc2)o1 ZINC000020875887 526162576 /nfs/dbraw/zinc/16/25/76/526162576.db2.gz ZOPWMSKFJWQYOF-OAHLLOKOSA-N 1 0 370.290 5.868 50 0 FKAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+][C@@H](C)c2ccccc2)o1 ZINC000020875889 526163065 /nfs/dbraw/zinc/16/30/65/526163065.db2.gz ZOPWMSKFJWQYOF-HNNXBMFYSA-N 1 0 370.290 5.868 50 0 FKAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCc2ccccc2)o1 ZINC000020875896 526161025 /nfs/dbraw/zinc/16/10/25/526161025.db2.gz QORKFBCETSUUSN-UHFFFAOYSA-N 1 0 370.290 5.350 50 0 FKAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2cccs2)o1 ZINC000020875906 526161904 /nfs/dbraw/zinc/16/19/04/526161904.db2.gz LTFAKDKATDPBSC-UHFFFAOYSA-N 1 0 362.292 5.369 50 0 FKAARO CCCCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000020875917 520094804 /nfs/dbraw/zinc/09/48/04/520094804.db2.gz CYXJEGPLTMUHKM-UHFFFAOYSA-N 1 0 350.300 5.687 50 0 FKAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2ccc(F)cc2)o1 ZINC000020875943 526160379 /nfs/dbraw/zinc/16/03/79/526160379.db2.gz NCNJXBRKTXGRET-UHFFFAOYSA-N 1 0 374.253 5.446 50 0 FKAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C2CCCCCC2)o1 ZINC000020875967 526161182 /nfs/dbraw/zinc/16/11/82/526161182.db2.gz JADZQBSDLIKLNO-UHFFFAOYSA-N 1 0 362.311 5.830 50 0 FKAARO Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(Br)cc3C)o2)cc1 ZINC000020875979 524582330 /nfs/dbraw/zinc/58/23/30/524582330.db2.gz XGDJGFXBFJVYHF-UHFFFAOYSA-N 1 0 370.290 5.616 50 0 FKAARO C[C@]12CC3CC([NH2+]Cc4ccc(-c5ccccc5Cl)o4)(C1)C[C@@](C)(C3)C2 ZINC000020875999 220344879 /nfs/dbraw/zinc/34/48/79/220344879.db2.gz UEEKMGCTLVBGBO-QLOAFGCXSA-N 1 0 369.936 6.439 50 0 FKAARO Clc1ccccc1-c1ccc(C[NH2+]CCc2c[nH]c3ccccc23)o1 ZINC000020876070 526983709 /nfs/dbraw/zinc/98/37/09/526983709.db2.gz LRLPETGVJQXYFU-UHFFFAOYSA-N 1 0 350.849 5.414 50 0 FKAARO COc1cccc(C[NH2+]C2CCCC2)c1OCc1ccc(F)cc1Cl ZINC000020876182 526010371 /nfs/dbraw/zinc/01/03/71/526010371.db2.gz NHURWYMTGFXFMW-UHFFFAOYSA-N 1 0 363.860 5.099 50 0 FKAARO CCCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876213 220344960 /nfs/dbraw/zinc/34/49/60/220344960.db2.gz ZVNSFGJEFFETLK-UHFFFAOYSA-N 1 0 365.876 5.347 50 0 FKAARO CCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876457 519952217 /nfs/dbraw/zinc/95/22/17/519952217.db2.gz JQGJOTJYDOZPRO-UHFFFAOYSA-N 1 0 368.702 5.181 50 0 FKAARO Cc1ccc(-c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)o2)cc1Cl ZINC000020876550 211296578 /nfs/dbraw/zinc/29/65/78/211296578.db2.gz ZYWNTFBEKVRQGA-UHFFFAOYSA-N 1 0 355.909 5.967 50 0 FKAARO Cc1ccc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)cc1Cl ZINC000020876556 211297466 /nfs/dbraw/zinc/29/74/66/211297466.db2.gz GFJZZVWFVAIBGN-UHFFFAOYSA-N 1 0 355.909 5.823 50 0 FKAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000020876620 523975130 /nfs/dbraw/zinc/97/51/30/523975130.db2.gz QPRWQSINNZEGET-UHFFFAOYSA-N 1 0 355.865 5.249 50 0 FKAARO Cc1ccc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)cc1Cl ZINC000020876641 525751372 /nfs/dbraw/zinc/75/13/72/525751372.db2.gz IHEZJKWLKQEWFT-UHFFFAOYSA-N 1 0 364.876 5.722 50 0 FKAARO CCCOc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1Cl ZINC000020925409 211301728 /nfs/dbraw/zinc/30/17/28/211301728.db2.gz WEANEMDLNGXUBW-QFWMWPAFSA-N 1 0 361.957 5.967 50 0 FKAARO CCCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1Cl ZINC000020925744 520367276 /nfs/dbraw/zinc/36/72/76/520367276.db2.gz WCJJWGGTVMLTHK-UHFFFAOYSA-N 1 0 372.723 5.768 50 0 FKAARO CCCOc1ccc(C[NH2+]Cc2ccccc2Cl)cc1Br ZINC000020925864 520369960 /nfs/dbraw/zinc/36/99/60/520369960.db2.gz XCAFBSRIDHETKZ-UHFFFAOYSA-N 1 0 368.702 5.181 50 0 FKAARO CCCOc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1Br ZINC000020926044 520364642 /nfs/dbraw/zinc/36/46/42/520364642.db2.gz FPMDGKWFTQPLCM-UHFFFAOYSA-N 1 0 356.348 5.542 50 0 FKAARO CCCOc1ccc(C[NH2+]C2CCCCCCC2)cc1Br ZINC000020926049 520363190 /nfs/dbraw/zinc/36/31/90/520363190.db2.gz ZDFQVAORRRHGMA-UHFFFAOYSA-N 1 0 354.332 5.440 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000020926218 520294723 /nfs/dbraw/zinc/29/47/23/520294723.db2.gz QINGJGJXMODAKE-UHFFFAOYSA-N 1 0 368.348 5.841 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1Cl ZINC000020926234 204740530 /nfs/dbraw/zinc/74/05/30/204740530.db2.gz LYCNOEWYSBAUBL-UHFFFAOYSA-N 1 0 368.348 5.697 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]Cc2ccccc2Cl)cc1Cl ZINC000020926286 520297004 /nfs/dbraw/zinc/29/70/04/520297004.db2.gz GBWJHXBPOSODBX-UHFFFAOYSA-N 1 0 358.696 5.725 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]CCc2ccccc2F)cc1Cl ZINC000020926417 520297841 /nfs/dbraw/zinc/29/78/41/520297841.db2.gz NYRSCSSHOYGVAY-UHFFFAOYSA-N 1 0 356.268 5.254 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(F)cc2)cc1Cl ZINC000020926423 220346132 /nfs/dbraw/zinc/34/61/32/220346132.db2.gz JIQQTDWDPQJICP-UHFFFAOYSA-N 1 0 356.268 5.254 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(OC)cc2)cc1Cl ZINC000020926429 220345545 /nfs/dbraw/zinc/34/55/45/220345545.db2.gz QEHGPOACSKTYJY-UHFFFAOYSA-N 1 0 368.304 5.123 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]Cc2ccc(OC)cc2)cc1Cl ZINC000020926503 520297858 /nfs/dbraw/zinc/29/78/58/520297858.db2.gz MUKVDLXVDFJVKA-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]CCc2ccccc2OC)cc1Cl ZINC000020926575 520297167 /nfs/dbraw/zinc/29/71/67/520297167.db2.gz QHEDRFDWPFYZOS-UHFFFAOYSA-N 1 0 368.304 5.123 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]Cc2ccccc2OC)cc1Cl ZINC000020926587 520296623 /nfs/dbraw/zinc/29/66/23/520296623.db2.gz LZIXYNIDCUZJTP-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2)cc1Cl ZINC000020926593 211301639 /nfs/dbraw/zinc/30/16/39/211301639.db2.gz KSVNNMDKLYTUNG-UHFFFAOYSA-N 1 0 372.723 5.768 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+][C@@H](C)CCc2ccccc2)cc1Cl ZINC000020926625 520296744 /nfs/dbraw/zinc/29/67/44/520296744.db2.gz DTIZZMORSXJNJA-HNNXBMFYSA-N 1 0 366.332 5.893 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+][C@H](C)CCc2ccccc2)cc1Cl ZINC000020926631 520296856 /nfs/dbraw/zinc/29/68/56/520296856.db2.gz DTIZZMORSXJNJA-OAHLLOKOSA-N 1 0 366.332 5.893 50 0 FKAARO COc1c(Cl)cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1Cl ZINC000020928257 211301592 /nfs/dbraw/zinc/30/15/92/211301592.db2.gz PRWIFDUNMJDITQ-ODNNXGBQSA-N 1 0 368.348 5.841 50 0 FKAARO CCCOc1ccc(Cl)cc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000020928723 570926581 /nfs/dbraw/zinc/92/65/81/570926581.db2.gz CBMFMRAQHOGKMM-NJMHRBNOSA-N 1 0 361.957 5.967 50 0 FKAARO CCCOc1ccc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020929071 520379300 /nfs/dbraw/zinc/37/93/00/520379300.db2.gz IEKVTAVGBJZHOD-UHFFFAOYSA-N 1 0 372.723 5.768 50 0 FKAARO CCCOc1ccc(Br)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000020929381 220345488 /nfs/dbraw/zinc/34/54/88/220345488.db2.gz POKGTEJDNCUPBE-UHFFFAOYSA-N 1 0 356.348 5.542 50 0 FKAARO CCCOc1ccc(Br)cc1C[NH2+]C1CCCCCCC1 ZINC000020929388 220346073 /nfs/dbraw/zinc/34/60/73/220346073.db2.gz XVWKJGROQKAGSP-UHFFFAOYSA-N 1 0 354.332 5.440 50 0 FKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020930004 570926594 /nfs/dbraw/zinc/92/65/94/570926594.db2.gz JAWHRWSBGWPJRC-UHFFFAOYSA-N 1 0 368.348 5.841 50 0 FKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000020930020 211301884 /nfs/dbraw/zinc/30/18/84/211301884.db2.gz LZAHDIZSJCZRMO-UHFFFAOYSA-N 1 0 368.348 5.697 50 0 FKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccccc1F ZINC000020930210 520297103 /nfs/dbraw/zinc/29/71/03/520297103.db2.gz KIYFTMFAHPRDGM-UHFFFAOYSA-N 1 0 356.268 5.254 50 0 FKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000020930216 520297988 /nfs/dbraw/zinc/29/79/88/520297988.db2.gz LHXMYCWBMBFOGC-UHFFFAOYSA-N 1 0 356.268 5.254 50 0 FKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(OC)cc1 ZINC000020930223 520296829 /nfs/dbraw/zinc/29/68/29/520296829.db2.gz NLMGJPRIOZAXFH-UHFFFAOYSA-N 1 0 368.304 5.123 50 0 FKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(OC)cc1 ZINC000020930299 520297282 /nfs/dbraw/zinc/29/72/82/520297282.db2.gz LPWKYBWIIGUOHV-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccccc1OC ZINC000020930372 520297243 /nfs/dbraw/zinc/29/72/43/520297243.db2.gz NHPNGQXIGDJMHN-UHFFFAOYSA-N 1 0 368.304 5.123 50 0 FKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000020930389 520297449 /nfs/dbraw/zinc/29/74/49/520297449.db2.gz VXCIRHJZKUDYRB-UHFFFAOYSA-N 1 0 372.723 5.768 50 0 FKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000020930424 520296428 /nfs/dbraw/zinc/29/64/28/520296428.db2.gz JWBOPENWQMGVLV-HNNXBMFYSA-N 1 0 366.332 5.893 50 0 FKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000020930430 520296352 /nfs/dbraw/zinc/29/63/52/520296352.db2.gz JWBOPENWQMGVLV-OAHLLOKOSA-N 1 0 366.332 5.893 50 0 FKAARO CCCOc1ccc2ccccc2c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000020930708 220346372 /nfs/dbraw/zinc/34/63/72/220346372.db2.gz RFWZTVAPBAJDNG-UHFFFAOYSA-N 1 0 358.485 5.442 50 0 FKAARO CCCOc1ccc2ccccc2c1C[NH2+]CCc1ccc(Cl)cc1 ZINC000020930847 211301981 /nfs/dbraw/zinc/30/19/81/211301981.db2.gz BORPGUHHTAOVCO-UHFFFAOYSA-N 1 0 353.893 5.614 50 0 FKAARO CCCOc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1OC ZINC000020930950 520363505 /nfs/dbraw/zinc/36/35/05/520363505.db2.gz HJUSLZRKWPDQLK-FKANHJMESA-N 1 0 357.538 5.323 50 0 FKAARO CCCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1OC ZINC000020931284 520365679 /nfs/dbraw/zinc/36/56/79/520365679.db2.gz AFQQDPGOAAJSKE-UHFFFAOYSA-N 1 0 368.304 5.123 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000020931344 211301477 /nfs/dbraw/zinc/30/14/77/211301477.db2.gz CEZBWLSTSVEEOK-UHFFFAOYSA-N 1 0 363.929 5.196 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OC ZINC000020931362 211300990 /nfs/dbraw/zinc/30/09/90/211300990.db2.gz GZBSLJIXQLCKAQ-UHFFFAOYSA-N 1 0 363.929 5.052 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]Cc2ccccc2Cl)cc1OC ZINC000020931414 520297362 /nfs/dbraw/zinc/29/73/62/520297362.db2.gz DJTFXLSFENEPGG-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2)cc1OC ZINC000020931716 570927161 /nfs/dbraw/zinc/92/71/61/570927161.db2.gz HTIJATZLFBDORO-UHFFFAOYSA-N 1 0 368.304 5.123 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+][C@@H](C)CCc2ccccc2)cc1OC ZINC000020931749 520296700 /nfs/dbraw/zinc/29/67/00/520296700.db2.gz SNXFXSGUNKZCLR-INIZCTEOSA-N 1 0 361.913 5.248 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+][C@H](C)CCc2ccccc2)cc1OC ZINC000020931762 520296780 /nfs/dbraw/zinc/29/67/80/520296780.db2.gz SNXFXSGUNKZCLR-MRXNPFEDSA-N 1 0 361.913 5.248 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]Cc2ccccc2Cl)cc1OCC ZINC000020931858 520296539 /nfs/dbraw/zinc/29/65/39/520296539.db2.gz QCNANPGHOTZINM-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1OCC ZINC000020932052 211300843 /nfs/dbraw/zinc/30/08/43/211300843.db2.gz GCGQHTKPVAEXNV-UHFFFAOYSA-N 1 0 355.950 5.832 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]C2CCCCCCC2)cc1OCC ZINC000020932058 520295756 /nfs/dbraw/zinc/29/57/56/520295756.db2.gz AMJCIYVNNWWNTJ-UHFFFAOYSA-N 1 0 353.934 5.730 50 0 FKAARO CCCOc1c(Br)cc(C[NH2+]C2CCCCC2)cc1OCC ZINC000020932244 570927311 /nfs/dbraw/zinc/92/73/11/570927311.db2.gz LMXIJZDPQZTLFY-UHFFFAOYSA-N 1 0 370.331 5.059 50 0 FKAARO CCCCCC[NH2+]Cc1cc(Br)c(OCCC)c(OCC)c1 ZINC000020932391 220346670 /nfs/dbraw/zinc/34/66/70/220346670.db2.gz XEBJIONWRNCLDZ-UHFFFAOYSA-N 1 0 372.347 5.307 50 0 FKAARO CCCOc1c(Br)cc(C[NH2+]C2CCCCCC2)cc1OC ZINC000020932945 520289079 /nfs/dbraw/zinc/28/90/79/520289079.db2.gz FHAXXYKWLUJGRP-UHFFFAOYSA-N 1 0 370.331 5.059 50 0 FKAARO CCCOc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1OCC ZINC000020933171 570927245 /nfs/dbraw/zinc/92/72/45/570927245.db2.gz ISVGVQBFRMRWDB-ZPKAHVHTSA-N 1 0 371.565 5.713 50 0 FKAARO CCCOc1c(C[NH2+]C2CCCCCC2)cc(Br)cc1OC ZINC000020934311 570927346 /nfs/dbraw/zinc/92/73/46/570927346.db2.gz BSVPRXWIKASKIM-UHFFFAOYSA-N 1 0 370.331 5.059 50 0 FKAARO Fc1ccc([C@@H]([NH2+]C2CCCCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988582 211301045 /nfs/dbraw/zinc/30/10/45/211301045.db2.gz YENYWPUAEYWSIB-HXUWFJFHSA-N 1 0 365.452 5.278 50 0 FKAARO Fc1ccc([C@H]([NH2+]C2CCCCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988586 211302006 /nfs/dbraw/zinc/30/20/06/211302006.db2.gz YENYWPUAEYWSIB-FQEVSTJZSA-N 1 0 365.452 5.278 50 0 FKAARO CCc1cc2c(ncnc2Nc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000021115069 211307591 /nfs/dbraw/zinc/30/75/91/211307591.db2.gz NODQWYJNXVLRJJ-UHFFFAOYSA-N 1 0 366.534 5.229 50 0 FKAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000021720131 570933443 /nfs/dbraw/zinc/93/34/43/570933443.db2.gz QCTQCUFSUQGRPC-QFIPXVFZSA-N 1 0 362.473 5.208 50 0 FKAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000021720133 211322854 /nfs/dbraw/zinc/32/28/54/211322854.db2.gz QCTQCUFSUQGRPC-JOCHJYFZSA-N 1 0 362.473 5.208 50 0 FKAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000021720218 211323814 /nfs/dbraw/zinc/32/38/14/211323814.db2.gz DNSNPEIOCXNZSA-QFIPXVFZSA-N 1 0 362.473 5.208 50 0 FKAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000021720220 570933305 /nfs/dbraw/zinc/93/33/05/570933305.db2.gz DNSNPEIOCXNZSA-JOCHJYFZSA-N 1 0 362.473 5.208 50 0 FKAARO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2CC)ccc1OC(C)C ZINC000021720795 220364319 /nfs/dbraw/zinc/36/43/19/220364319.db2.gz GVLLFSJFEZSUGE-GOSISDBHSA-N 1 0 372.509 5.068 50 0 FKAARO CCOc1cc(C[N@@H+]2CCC[C@H]2c2c(C)noc2CC)ccc1OC(C)C ZINC000021720797 206361382 /nfs/dbraw/zinc/36/13/82/206361382.db2.gz GVLLFSJFEZSUGE-SFHVURJKSA-N 1 0 372.509 5.068 50 0 FKAARO Clc1ccc(-c2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)cc1 ZINC000021729944 207781840 /nfs/dbraw/zinc/78/18/40/207781840.db2.gz SVCJKWWPBLKSTD-UHFFFAOYSA-N 1 0 353.853 5.043 50 0 FKAARO CC(C)c1cccc(C(C)C)c1OCCCCCC[NH+]1CCN(C)CC1 ZINC000022037105 220375835 /nfs/dbraw/zinc/37/58/35/220375835.db2.gz BMUOHQOTDYEGDY-UHFFFAOYSA-N 1 0 360.586 5.120 50 0 FKAARO CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC[NH2+]C)cc1)c1ccccc1 ZINC000022056306 211337997 /nfs/dbraw/zinc/33/79/97/211337997.db2.gz MHJBZVSGOZTKRH-IZHYLOQSSA-N 1 0 373.496 5.360 50 0 world FKAARO Fc1ccc(COc2ccccc2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022073729 211338623 /nfs/dbraw/zinc/33/86/23/211338623.db2.gz VVCYNOLECOUKSI-UHFFFAOYSA-N 1 0 365.492 5.463 50 0 FKAARO Fc1ccc(COc2ccccc2C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000022073731 220376024 /nfs/dbraw/zinc/37/60/24/220376024.db2.gz XJUGTGSEUOMNTB-UHFFFAOYSA-N 1 0 365.492 5.319 50 0 FKAARO Fc1ccccc1COc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000022073733 570938687 /nfs/dbraw/zinc/93/86/87/570938687.db2.gz LMHXNHGJKIGNMK-UHFFFAOYSA-N 1 0 365.492 5.463 50 0 FKAARO Fc1ccccc1COc1ccccc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000022073736 570938819 /nfs/dbraw/zinc/93/88/19/570938819.db2.gz VNGKLNRXZNLSSW-UHFFFAOYSA-N 1 0 365.492 5.319 50 0 FKAARO Fc1ccc(COc2cccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000022073826 220375349 /nfs/dbraw/zinc/37/53/49/220375349.db2.gz YGASGPLMUFHEFJ-UHFFFAOYSA-N 1 0 365.492 5.463 50 0 FKAARO Fc1ccc(COc2cccc(C[NH2+]C3C4CC5CC(C4)CC3C5)c2)cc1 ZINC000022073828 570938508 /nfs/dbraw/zinc/93/85/08/570938508.db2.gz RCLCFQDQUZIJRL-UHFFFAOYSA-N 1 0 365.492 5.319 50 0 FKAARO Fc1ccccc1COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000022073838 220375370 /nfs/dbraw/zinc/37/53/70/220375370.db2.gz LPLJUGIMWMOYFW-UHFFFAOYSA-N 1 0 365.492 5.463 50 0 FKAARO Fc1ccccc1COc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000022073840 570938729 /nfs/dbraw/zinc/93/87/29/570938729.db2.gz XOHWHDNMGXJMST-UHFFFAOYSA-N 1 0 365.492 5.319 50 0 FKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccccc2)cc1 ZINC000022073925 570939067 /nfs/dbraw/zinc/93/90/67/570939067.db2.gz PDUZYYWJNDTIGJ-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccccc2)cc1 ZINC000022073930 570938999 /nfs/dbraw/zinc/93/89/99/570938999.db2.gz COYAOFJJHONBCW-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]Cc1ccccc1 ZINC000022073933 570939336 /nfs/dbraw/zinc/93/93/36/570939336.db2.gz VJJIYCCYSKFTPK-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCC2)cc1 ZINC000022073957 570939157 /nfs/dbraw/zinc/93/91/57/570939157.db2.gz UKSLYLTZVRISLM-UHFFFAOYSA-N 1 0 364.316 5.995 50 0 FKAARO Clc1ccc(COc2ccccc2C[NH2+]C2CCCC2)c(Cl)c1 ZINC000022074223 570939125 /nfs/dbraw/zinc/93/91/25/570939125.db2.gz DBFMBEYAXPBHKH-UHFFFAOYSA-N 1 0 350.289 5.605 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]C3CCCC3)cc2)c(Cl)c1 ZINC000022074229 570939303 /nfs/dbraw/zinc/93/93/03/570939303.db2.gz AXCSMBWGQYNZAV-UHFFFAOYSA-N 1 0 350.289 5.605 50 0 FKAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCC2)cc1 ZINC000022074237 211338541 /nfs/dbraw/zinc/33/85/41/211338541.db2.gz GAAXQRAATIAIFQ-UHFFFAOYSA-N 1 0 365.904 6.104 50 0 FKAARO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1CCCC1 ZINC000022074239 570939133 /nfs/dbraw/zinc/93/91/33/570939133.db2.gz MMSIKDLZSGOIRK-UHFFFAOYSA-N 1 0 365.904 6.104 50 0 FKAARO Brc1ccc(OCc2ccccc2)c(C[NH2+]C2CCCC2)c1 ZINC000022074243 570939342 /nfs/dbraw/zinc/93/93/42/570939342.db2.gz ABRBDHIDJOUABL-UHFFFAOYSA-N 1 0 360.295 5.060 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]C3CCCC3)c2)c(Cl)c1 ZINC000022074257 211338161 /nfs/dbraw/zinc/33/81/61/211338161.db2.gz ORMANYSVCBQQGJ-UHFFFAOYSA-N 1 0 350.289 5.605 50 0 FKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCC2)cc1 ZINC000022074271 220377612 /nfs/dbraw/zinc/37/76/12/220377612.db2.gz KJBJDTYPCVFLNV-UHFFFAOYSA-N 1 0 350.289 5.605 50 0 FKAARO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]C2CCCC2)c1 ZINC000022074273 211338687 /nfs/dbraw/zinc/33/86/87/211338687.db2.gz FTYUAGXGLKFIDW-UHFFFAOYSA-N 1 0 350.289 5.605 50 0 FKAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000022074818 220376984 /nfs/dbraw/zinc/37/69/84/220376984.db2.gz BLFYPVABDSNGOG-UHFFFAOYSA-N 1 0 363.288 5.206 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000022076509 570939314 /nfs/dbraw/zinc/93/93/14/570939314.db2.gz HFYGHQBZDDIXTC-UHFFFAOYSA-N 1 0 364.247 5.725 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000022076511 570939236 /nfs/dbraw/zinc/93/92/36/570939236.db2.gz KNPFYYKPGNTDLO-UHFFFAOYSA-N 1 0 364.247 5.725 50 0 FKAARO Clc1ccc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)cc1 ZINC000022076546 570939176 /nfs/dbraw/zinc/93/91/76/570939176.db2.gz NZVSMAXZTFPEJS-UHFFFAOYSA-N 1 0 350.849 5.414 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000022076556 204770127 /nfs/dbraw/zinc/77/01/27/204770127.db2.gz QYUFGIAATVAQRZ-UHFFFAOYSA-N 1 0 364.247 5.725 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000022076558 207794909 /nfs/dbraw/zinc/79/49/09/207794909.db2.gz LHEATYLIFFTVHC-UHFFFAOYSA-N 1 0 364.247 5.725 50 0 FKAARO O[C@@H](C[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1 ZINC000022076569 570939162 /nfs/dbraw/zinc/93/91/62/570939162.db2.gz NUXHNZQHOOGUTO-SFHVURJKSA-N 1 0 362.256 5.077 50 0 FKAARO O[C@H](C[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1 ZINC000022076571 570939255 /nfs/dbraw/zinc/93/92/55/570939255.db2.gz NUXHNZQHOOGUTO-GOSISDBHSA-N 1 0 362.256 5.077 50 0 FKAARO Clc1cccc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)c1 ZINC000022076597 220376877 /nfs/dbraw/zinc/37/68/77/220376877.db2.gz QZRKOKUFKZSGPJ-UHFFFAOYSA-N 1 0 350.849 5.414 50 0 FKAARO Brc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1 ZINC000022076605 570939322 /nfs/dbraw/zinc/93/93/22/570939322.db2.gz PQJIUTHGIWJYRG-UHFFFAOYSA-N 1 0 356.263 5.041 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000022076610 207795082 /nfs/dbraw/zinc/79/50/82/207795082.db2.gz QKCCDIHMYVOUGT-UHFFFAOYSA-N 1 0 374.253 5.181 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000022076611 570939212 /nfs/dbraw/zinc/93/92/12/570939212.db2.gz RKZCBLYSVQEYOJ-UHFFFAOYSA-N 1 0 374.253 5.181 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000022076828 211336531 /nfs/dbraw/zinc/33/65/31/211336531.db2.gz SHAXNHHQOBLLPJ-UHFFFAOYSA-N 1 0 364.247 5.725 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000022076834 570939114 /nfs/dbraw/zinc/93/91/14/570939114.db2.gz CNLWAFUXFBKGOD-UHFFFAOYSA-N 1 0 364.247 5.725 50 0 FKAARO CCCCCCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000022078425 570939327 /nfs/dbraw/zinc/93/93/27/570939327.db2.gz FTFVBXGIVHJRDK-HSZRJFAPSA-N 1 0 352.522 5.768 50 0 FKAARO CCCCCCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000022078429 211337633 /nfs/dbraw/zinc/33/76/33/211337633.db2.gz FTFVBXGIVHJRDK-QHCPKHFHSA-N 1 0 352.522 5.768 50 0 FKAARO c1ccc(C2CCC(N3CC[N@@H+]4CCC[C@H]4[C@H]3C3CCCCC3)CC2)cc1 ZINC000022078495 571125705 /nfs/dbraw/zinc/12/57/05/571125705.db2.gz FMVHYYDTTWYONL-OSMLLJOWSA-N 1 0 366.593 5.442 50 0 FKAARO c1ccc(C2CCC(N3CC[N@@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)CC2)cc1 ZINC000022078499 571125817 /nfs/dbraw/zinc/12/58/17/571125817.db2.gz FMVHYYDTTWYONL-IZTPNPOGSA-N 1 0 366.593 5.442 50 0 FKAARO c1ccc(C2CCC(N3CC[N@@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)CC2)cc1 ZINC000022078502 220377458 /nfs/dbraw/zinc/37/74/58/220377458.db2.gz FMVHYYDTTWYONL-QYYDGCESSA-N 1 0 366.593 5.442 50 0 FKAARO COc1ccc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)cc1Cl ZINC000022107316 211337261 /nfs/dbraw/zinc/33/72/61/211337261.db2.gz HDKWPUPIEPBJLS-UHFFFAOYSA-N 1 0 359.828 5.080 50 0 FKAARO COc1ccc(-c2ccc(C[NH2+]CCc3ccc(F)cc3)o2)cc1Cl ZINC000022107326 570939541 /nfs/dbraw/zinc/93/95/41/570939541.db2.gz WCNSVYIRXYLFNZ-UHFFFAOYSA-N 1 0 359.828 5.080 50 0 FKAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 ZINC000022107485 570939740 /nfs/dbraw/zinc/93/97/40/570939740.db2.gz YPETVBMNHNFLSJ-UHFFFAOYSA-N 1 0 359.828 5.080 50 0 FKAARO Fc1ccc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)cc1Cl ZINC000022107512 220377000 /nfs/dbraw/zinc/37/70/00/220377000.db2.gz VBFHAIKUTULQRP-UHFFFAOYSA-N 1 0 368.839 5.553 50 0 FKAARO O=C(CC[N@@H+]1CCC[C@@H]1c1cccs1)Nc1cc(Cl)ccc1Cl ZINC000022199312 206369455 /nfs/dbraw/zinc/36/94/55/206369455.db2.gz BYYSHIMOMKDGCU-OAHLLOKOSA-N 1 0 369.317 5.221 50 0 FKAARO O=C(CC[N@@H+]1CCC[C@H]1c1cccs1)Nc1cc(Cl)ccc1Cl ZINC000022199316 220378970 /nfs/dbraw/zinc/37/89/70/220378970.db2.gz BYYSHIMOMKDGCU-HNNXBMFYSA-N 1 0 369.317 5.221 50 0 FKAARO C[C@H](c1cccs1)[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000022200069 211340218 /nfs/dbraw/zinc/34/02/18/211340218.db2.gz CINVRVUNMMBWNM-LLVKDONJSA-N 1 0 357.306 5.077 50 0 FKAARO C[C@@H](c1cccs1)[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000022200074 204771332 /nfs/dbraw/zinc/77/13/32/204771332.db2.gz CINVRVUNMMBWNM-NSHDSACASA-N 1 0 357.306 5.077 50 0 FKAARO CCCC[NH+](CCCC)CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O ZINC000022289102 220382314 /nfs/dbraw/zinc/38/23/14/220382314.db2.gz MFLRSWOWPIQLAJ-NIEGGPFSSA-N 1 0 372.534 5.139 50 0 FKAARO Cc1cc(C)cc(C[NH+]2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000022335884 571201496 /nfs/dbraw/zinc/20/14/96/571201496.db2.gz INEMFTDJKQLZBW-UHFFFAOYSA-N 1 0 361.451 5.777 50 0 FKAARO CCC[C@@H](C)C(=O)Nc1ccc2[nH]cc(CC[N@H+](CCC)CC3CC3)c2c1 ZINC000022336647 571201644 /nfs/dbraw/zinc/20/16/44/571201644.db2.gz RNUWSWKSJQGCEE-QGZVFWFLSA-N 1 0 369.553 5.207 50 0 FKAARO CCC[C@H](C)C(=O)Nc1ccc2[nH]cc(CC[N@H+](CCC)CC3CC3)c2c1 ZINC000022336650 211346472 /nfs/dbraw/zinc/34/64/72/211346472.db2.gz RNUWSWKSJQGCEE-KRWDZBQOSA-N 1 0 369.553 5.207 50 0 FKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)C(CC)CC)cc12)CC1CC1 ZINC000022337199 571201648 /nfs/dbraw/zinc/20/16/48/571201648.db2.gz FBJNHFBKJRBEGA-UHFFFAOYSA-N 1 0 369.553 5.207 50 0 FKAARO Fc1ccc(Cc2nc(C[NH+]3CCCCCCC3)cs2)c(Cl)c1 ZINC000022351525 211348681 /nfs/dbraw/zinc/34/86/81/211348681.db2.gz SCJJDJBDDWQXIK-UHFFFAOYSA-N 1 0 352.906 5.293 50 0 FKAARO C(=C/c1ccccc1)\CN1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000022455893 220387450 /nfs/dbraw/zinc/38/74/50/220387450.db2.gz WYFXCIYLVBYPGA-JXMROGBWSA-N 1 0 360.545 5.044 50 0 FKAARO C(=C/c1ccccc1)\CN1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000022586420 571071568 /nfs/dbraw/zinc/07/15/68/571071568.db2.gz RRVZXUUVUWKITG-JXMROGBWSA-N 1 0 368.524 5.185 50 0 FKAARO c1ccc(C2CCC(N3CC[N@@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)CC2)cc1 ZINC000022587965 220391704 /nfs/dbraw/zinc/39/17/04/220391704.db2.gz FMVHYYDTTWYONL-JNDMAISQSA-N 1 0 366.593 5.442 50 0 FKAARO CCN1CCC[C@H]([NH2+][C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)C1 ZINC000022595085 571162602 /nfs/dbraw/zinc/16/26/02/571162602.db2.gz RONGSPKZYAIJGX-HKUYNNGSSA-N 1 0 372.965 5.162 50 0 FKAARO Cc1cc(C)cc(C[NH+]2CCC(Cc3ccc(-n4cccc4)cc3)CC2)c1 ZINC000022638215 211359272 /nfs/dbraw/zinc/35/92/72/211359272.db2.gz CEESOFDZYYEVEB-UHFFFAOYSA-N 1 0 358.529 5.549 50 0 FKAARO c1csc(C[NH+]2CCC(CCc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000022646475 220394252 /nfs/dbraw/zinc/39/42/52/220394252.db2.gz IBKSHTVMBMBQNS-UHFFFAOYSA-N 1 0 361.554 6.260 50 0 FKAARO c1ccc2c(c1)cccc2CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022874608 206396268 /nfs/dbraw/zinc/39/62/68/206396268.db2.gz HLIYCXYFCFMPJG-UHFFFAOYSA-N 1 0 366.508 5.311 50 0 FKAARO Clc1ccccc1-c1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)o1 ZINC000022933782 570953285 /nfs/dbraw/zinc/95/32/85/570953285.db2.gz UTFUHHIUCFMCIT-LJQANCHMSA-N 1 0 370.880 5.120 50 0 FKAARO Clc1ccccc1-c1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)o1 ZINC000022933785 211371222 /nfs/dbraw/zinc/37/12/22/211371222.db2.gz UTFUHHIUCFMCIT-IBGZPJMESA-N 1 0 370.880 5.120 50 0 FKAARO Cc1oc(-c2cccc(F)c2)nc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000023129168 570956897 /nfs/dbraw/zinc/95/68/97/570956897.db2.gz PWAZOVBOIJHBPA-LJQANCHMSA-N 1 0 350.437 5.169 50 0 FKAARO Cc1oc(-c2cccc(F)c2)nc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000023129169 570957065 /nfs/dbraw/zinc/95/70/65/570957065.db2.gz PWAZOVBOIJHBPA-IBGZPJMESA-N 1 0 350.437 5.169 50 0 FKAARO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccsc3)C2)cc1 ZINC000023129658 570957003 /nfs/dbraw/zinc/95/70/03/570957003.db2.gz MXIJYJZMJVHZGQ-MRXNPFEDSA-N 1 0 357.910 5.171 50 0 FKAARO Clc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccsc3)C2)cc1 ZINC000023129659 211378709 /nfs/dbraw/zinc/37/87/09/211378709.db2.gz MXIJYJZMJVHZGQ-INIZCTEOSA-N 1 0 357.910 5.171 50 0 FKAARO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CC[NH+](C2CCC2)CC1 ZINC000023232059 207839982 /nfs/dbraw/zinc/83/99/82/207839982.db2.gz OAPULJOXHOJZTQ-UHFFFAOYSA-N 1 0 373.500 5.038 50 0 FKAARO Fc1ccc(C2=CC[N@H+](Cc3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC000023280248 571071175 /nfs/dbraw/zinc/07/11/75/571071175.db2.gz RZKQRGXINCXEQB-UHFFFAOYSA-N 1 0 373.471 5.694 50 0 FKAARO Cc1ccc(C)c(N2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000023281321 136152490 /nfs/dbraw/zinc/15/24/90/136152490.db2.gz FXKWSMRXYLFDAR-UHFFFAOYSA-N 1 0 370.540 5.258 50 0 FKAARO C[N@H+](CCc1ccccc1)Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000023281688 570960956 /nfs/dbraw/zinc/96/09/56/570960956.db2.gz GISRSLUBIZUZKX-UHFFFAOYSA-N 1 0 351.877 5.807 50 0 FKAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cc3ccccc3o2)c1 ZINC000023338774 570961503 /nfs/dbraw/zinc/96/15/03/570961503.db2.gz UOCWGSSXKZQOMY-FQEVSTJZSA-N 1 0 373.456 5.169 50 0 FKAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cc3ccccc3o2)c1 ZINC000023338776 570961427 /nfs/dbraw/zinc/96/14/27/570961427.db2.gz UOCWGSSXKZQOMY-HXUWFJFHSA-N 1 0 373.456 5.169 50 0 FKAARO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000023550192 568403282 /nfs/dbraw/zinc/40/32/82/568403282.db2.gz JFJKZHQSSJKWLC-UHFFFAOYSA-N 1 0 360.284 5.488 50 0 FKAARO CCn1c2ccccc2c2cc(C[NH2+]Cc3ccc(OC)c(OC)c3)ccc21 ZINC000023634123 571176568 /nfs/dbraw/zinc/17/65/68/571176568.db2.gz AOSSYWPSCXQZOY-UHFFFAOYSA-N 1 0 374.484 5.121 50 0 FKAARO Clc1ccccc1[C@@H](C[NH2+]Cc1ccccn1)c1c[nH]c2ccccc21 ZINC000023908264 570968837 /nfs/dbraw/zinc/96/88/37/570968837.db2.gz PCRZYVNLCKMRKL-LJQANCHMSA-N 1 0 361.876 5.138 50 0 FKAARO Clc1ccccc1[C@H](C[NH2+]Cc1ccccn1)c1c[nH]c2ccccc21 ZINC000023908266 570968975 /nfs/dbraw/zinc/96/89/75/570968975.db2.gz PCRZYVNLCKMRKL-IBGZPJMESA-N 1 0 361.876 5.138 50 0 FKAARO Cc1nc(COc2ccc(C[NH2+][C@@H]3CCCc4ccccc43)cc2)cs1 ZINC000024081581 570971341 /nfs/dbraw/zinc/97/13/41/570971341.db2.gz WOPGYJBWBVQHQI-JOCHJYFZSA-N 1 0 364.514 5.198 50 0 FKAARO Cc1nc(COc2ccc(C[NH2+][C@H]3CCCc4ccccc43)cc2)cs1 ZINC000024081584 220440658 /nfs/dbraw/zinc/44/06/58/220440658.db2.gz WOPGYJBWBVQHQI-QFIPXVFZSA-N 1 0 364.514 5.198 50 0 FKAARO Clc1ccc(-c2ccc(C[NH2+][C@@H]3CCOc4ccccc43)s2)cc1 ZINC000024082000 570971106 /nfs/dbraw/zinc/97/11/06/570971106.db2.gz OZJNGBHABYJSJB-GOSISDBHSA-N 1 0 355.890 5.682 50 0 FKAARO Clc1ccc(-c2ccc(C[NH2+][C@H]3CCOc4ccccc43)s2)cc1 ZINC000024082003 570971353 /nfs/dbraw/zinc/97/13/53/570971353.db2.gz OZJNGBHABYJSJB-SFHVURJKSA-N 1 0 355.890 5.682 50 0 FKAARO Cc1cc(C)c(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)c(Cl)c1 ZINC000024673667 570979570 /nfs/dbraw/zinc/97/95/70/570979570.db2.gz YAXRKQRFEBTTGX-KRWDZBQOSA-N 1 0 370.924 5.196 50 0 FKAARO Cc1cc(C)c(NC(=O)C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)c(Cl)c1 ZINC000024673672 570979352 /nfs/dbraw/zinc/97/93/52/570979352.db2.gz YAXRKQRFEBTTGX-QGZVFWFLSA-N 1 0 370.924 5.196 50 0 FKAARO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000024746748 570980984 /nfs/dbraw/zinc/98/09/84/570980984.db2.gz QQHNBFXUHMSWLD-QHCPKHFHSA-N 1 0 374.484 5.014 50 0 FKAARO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000024746754 570980761 /nfs/dbraw/zinc/98/07/61/570980761.db2.gz QQHNBFXUHMSWLD-HSZRJFAPSA-N 1 0 374.484 5.014 50 0 FKAARO C[N@H+](Cc1ccccc1NC(=O)Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000024778579 220461209 /nfs/dbraw/zinc/46/12/09/220461209.db2.gz QKADVIHQSXXHAK-UHFFFAOYSA-N 1 0 370.924 5.286 50 0 FKAARO C[C@@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)c1ccccc1Cl ZINC000024969782 570987286 /nfs/dbraw/zinc/98/72/86/570987286.db2.gz SUITZTLUSMIZRI-MRXNPFEDSA-N 1 0 361.876 5.506 50 0 FKAARO C[C@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)c1ccccc1Cl ZINC000024969786 570987377 /nfs/dbraw/zinc/98/73/77/570987377.db2.gz SUITZTLUSMIZRI-INIZCTEOSA-N 1 0 361.876 5.506 50 0 FKAARO C[C@@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)c1ccc(Cl)cc1 ZINC000025046214 571121632 /nfs/dbraw/zinc/12/16/32/571121632.db2.gz YLJQNLYDIFTVFZ-MRXNPFEDSA-N 1 0 361.876 5.506 50 0 FKAARO C[C@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)c1ccc(Cl)cc1 ZINC000025046222 571121626 /nfs/dbraw/zinc/12/16/26/571121626.db2.gz YLJQNLYDIFTVFZ-INIZCTEOSA-N 1 0 361.876 5.506 50 0 FKAARO Cc1noc(C)c1COc1ccc(C[NH2+][C@H](C)c2ccccc2Cl)cc1 ZINC000025359273 570994949 /nfs/dbraw/zinc/99/49/49/570994949.db2.gz KEAXUAVAXGDQKG-CQSZACIVSA-N 1 0 370.880 5.375 50 0 FKAARO Cc1noc(C)c1COc1ccc(C[NH2+][C@@H](C)c2ccccc2Cl)cc1 ZINC000025359277 570994998 /nfs/dbraw/zinc/99/49/98/570994998.db2.gz KEAXUAVAXGDQKG-AWEZNQCLSA-N 1 0 370.880 5.375 50 0 FKAARO COc1cc(C[NH2+][C@@H](C)c2cccc3ccccc32)ccc1OC(F)F ZINC000025364067 571144995 /nfs/dbraw/zinc/14/49/95/571144995.db2.gz FDIVPUHNLSVQNV-AWEZNQCLSA-N 1 0 357.400 5.301 50 0 FKAARO COc1cc(C[NH2+][C@H](C)c2cccc3ccccc32)ccc1OC(F)F ZINC000025364071 571144886 /nfs/dbraw/zinc/14/48/86/571144886.db2.gz FDIVPUHNLSVQNV-CQSZACIVSA-N 1 0 357.400 5.301 50 0 FKAARO COc1cccc(C[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000025638973 570998280 /nfs/dbraw/zinc/99/82/80/570998280.db2.gz PMORIDGBPBCPSP-QFIPXVFZSA-N 1 0 356.469 5.098 50 0 FKAARO COc1cccc(C[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000025638979 207899265 /nfs/dbraw/zinc/89/92/65/207899265.db2.gz PMORIDGBPBCPSP-JOCHJYFZSA-N 1 0 356.469 5.098 50 0 FKAARO CCCC[C@@H](CC)C[NH+](C[C@@H](CC)CCCC)C[C@@H](CC)CCCC ZINC000025722290 204842784 /nfs/dbraw/zinc/84/27/84/204842784.db2.gz BZUDVELGTZDOIG-KMDXXIMOSA-N 1 0 353.679 7.938 50 0 FKAARO N[C@H](c1ccc(Cl)cc1Cl)[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000025759379 570999537 /nfs/dbraw/zinc/99/95/37/570999537.db2.gz UXVDOQZLEYUGHO-OKILXGFUSA-N 1 0 350.076 5.000 50 0 FKAARO COc1ccccc1C[N@H+](Cc1cccs1)Cc1cccc2cccnc21 ZINC000025810055 571000548 /nfs/dbraw/zinc/00/05/48/571000548.db2.gz FWIXRGYOXDITCP-UHFFFAOYSA-N 1 0 374.509 5.507 50 0 FKAARO Cc1ccc([C@@H](CNC(=O)c2cccc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000027583973 204865727 /nfs/dbraw/zinc/86/57/27/204865727.db2.gz IKFNLIZJLAVCND-XMMPIXPASA-N 1 0 372.512 5.105 50 0 FKAARO Cc1ccc([C@H](CNC(=O)c2cccc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000027583977 571015100 /nfs/dbraw/zinc/01/51/00/571015100.db2.gz IKFNLIZJLAVCND-DEOSSOPVSA-N 1 0 372.512 5.105 50 0 FKAARO CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027742395 571019490 /nfs/dbraw/zinc/01/94/90/571019490.db2.gz QZFBTOUHRVAYDR-LJQANCHMSA-N 1 0 370.562 5.003 50 0 FKAARO CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027742399 571019442 /nfs/dbraw/zinc/01/94/42/571019442.db2.gz QZFBTOUHRVAYDR-IBGZPJMESA-N 1 0 370.562 5.003 50 0 FKAARO Cc1n(C)c2cc(-c3nc4ccccc4s3)ccc2[n+]1-c1ccccc1 ZINC000027987887 571337410 /nfs/dbraw/zinc/33/74/10/571337410.db2.gz MVLPYDDOAZWHMO-UHFFFAOYSA-N 1 0 356.474 5.040 50 0 FKAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000028290545 571030015 /nfs/dbraw/zinc/03/00/15/571030015.db2.gz XUHRCQWYNGMHFR-QFIPXVFZSA-N 1 0 366.549 5.105 50 0 FKAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000028290548 571029991 /nfs/dbraw/zinc/02/99/91/571029991.db2.gz XUHRCQWYNGMHFR-JOCHJYFZSA-N 1 0 366.549 5.105 50 0 FKAARO Cc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)[NH+]1CCCCC1 ZINC000028291859 571030399 /nfs/dbraw/zinc/03/03/99/571030399.db2.gz FWIOCRCESMQGQZ-HSZRJFAPSA-N 1 0 364.533 5.075 50 0 FKAARO Cc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)[NH+]1CCCCC1 ZINC000028291861 571030408 /nfs/dbraw/zinc/03/04/08/571030408.db2.gz FWIOCRCESMQGQZ-QHCPKHFHSA-N 1 0 364.533 5.075 50 0 FKAARO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]C(C)(C)C)cc1 ZINC000028427449 571026636 /nfs/dbraw/zinc/02/66/36/571026636.db2.gz BSEPNOGMZYIZOQ-UHFFFAOYSA-N 1 0 352.305 5.769 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000028427516 571032121 /nfs/dbraw/zinc/03/21/21/571032121.db2.gz LZPLPCHRSOUARM-UHFFFAOYSA-N 1 0 352.305 5.771 50 0 FKAARO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]C2CCCC2)cc1 ZINC000028427521 571032048 /nfs/dbraw/zinc/03/20/48/571032048.db2.gz QJNHEKDRMFSPTF-UHFFFAOYSA-N 1 0 364.316 5.913 50 0 FKAARO CCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000028427603 220573623 /nfs/dbraw/zinc/57/36/23/220573623.db2.gz HCJSHWOSMRTPPI-UHFFFAOYSA-N 1 0 366.332 6.161 50 0 FKAARO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]CC(C)C)cc1 ZINC000028427613 571026642 /nfs/dbraw/zinc/02/66/42/571026642.db2.gz SLQKPKJSIUWBTG-UHFFFAOYSA-N 1 0 352.305 5.626 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000028427619 571146237 /nfs/dbraw/zinc/14/62/37/571146237.db2.gz ZWPHIZSVAVKZLG-CQSZACIVSA-N 1 0 352.305 5.769 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000028427626 571146242 /nfs/dbraw/zinc/14/62/42/571146242.db2.gz ZWPHIZSVAVKZLG-AWEZNQCLSA-N 1 0 352.305 5.769 50 0 FKAARO Clc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000028427787 571026594 /nfs/dbraw/zinc/02/65/94/571026594.db2.gz UIJXUASRHNZGOV-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1ccccc1Cn1cc(C[NH2+]Cc2ccccc2)c2ccccc21 ZINC000028427793 207962349 /nfs/dbraw/zinc/96/23/49/207962349.db2.gz OQEHMINIOBHPDM-UHFFFAOYSA-N 1 0 360.888 5.633 50 0 FKAARO Clc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccccc1 ZINC000028427800 571032073 /nfs/dbraw/zinc/03/20/73/571032073.db2.gz OOTBSFIKCAJPFI-UHFFFAOYSA-N 1 0 364.316 5.995 50 0 FKAARO Clc1ccccc1Cn1cc(C[NH2+]C2CCCCC2)c2ccccc21 ZINC000028427804 207962767 /nfs/dbraw/zinc/96/27/67/207962767.db2.gz SQHGNPSFTMVXAT-UHFFFAOYSA-N 1 0 352.909 5.765 50 0 FKAARO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1 ZINC000028427939 571032060 /nfs/dbraw/zinc/03/20/60/571032060.db2.gz RPQSCAQQIFGLOF-GOSISDBHSA-N 1 0 374.915 6.194 50 0 FKAARO C[C@H]([NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1 ZINC000028427947 571032022 /nfs/dbraw/zinc/03/20/22/571032022.db2.gz RPQSCAQQIFGLOF-SFHVURJKSA-N 1 0 374.915 6.194 50 0 FKAARO Clc1ccccc1Cn1cc(C[NH2+]CCc2ccccc2)c2ccccc21 ZINC000028427976 571032091 /nfs/dbraw/zinc/03/20/91/571032091.db2.gz YSJHWMWDDBHLCG-UHFFFAOYSA-N 1 0 374.915 5.675 50 0 FKAARO Clc1ccccc1Cn1cc(C[NH2+]Cc2cccnc2)c2ccccc21 ZINC000028427981 571032126 /nfs/dbraw/zinc/03/21/26/571032126.db2.gz BBAGJCZQJWJPDT-UHFFFAOYSA-N 1 0 361.876 5.028 50 0 FKAARO Clc1ccccc1Cn1cc(C[NH2+]Cc2cccs2)c2ccccc21 ZINC000028428050 571032619 /nfs/dbraw/zinc/03/26/19/571032619.db2.gz WTSSNIXLLQXDAT-UHFFFAOYSA-N 1 0 366.917 5.694 50 0 FKAARO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428072 571032468 /nfs/dbraw/zinc/03/24/68/571032468.db2.gz NLDQWXDXWPEZOH-UHFFFAOYSA-N 1 0 368.304 5.089 50 0 FKAARO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428105 209805573 /nfs/dbraw/zinc/80/55/73/209805573.db2.gz VGSCNRZFCQVHST-UHFFFAOYSA-N 1 0 352.305 5.852 50 0 FKAARO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428118 571032491 /nfs/dbraw/zinc/03/24/91/571032491.db2.gz HWAUDMRTVRDGCE-UHFFFAOYSA-N 1 0 366.332 6.242 50 0 FKAARO CCCCCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428124 571032562 /nfs/dbraw/zinc/03/25/62/571032562.db2.gz XQGIKRIXGOWWMC-UHFFFAOYSA-N 1 0 354.925 6.013 50 0 FKAARO Clc1ccccc1Cn1cc(C[NH2+]C2CCCCCC2)c2ccccc21 ZINC000028428338 571032503 /nfs/dbraw/zinc/03/25/03/571032503.db2.gz NQRXZGJWRRMPHD-UHFFFAOYSA-N 1 0 366.936 6.155 50 0 FKAARO Clc1ccccc1Cn1cc(C[NH2+]Cc2ccco2)c2ccccc21 ZINC000028428352 571032601 /nfs/dbraw/zinc/03/26/01/571032601.db2.gz HTEVJTATXLUPTE-UHFFFAOYSA-N 1 0 350.849 5.226 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000028428356 571032516 /nfs/dbraw/zinc/03/25/16/571032516.db2.gz QGVYDGFCHSLCGG-UHFFFAOYSA-N 1 0 374.915 5.941 50 0 FKAARO Fc1ccc(/C=C/c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1 ZINC000028712431 204886700 /nfs/dbraw/zinc/88/67/00/204886700.db2.gz BCNLNLNULNZXNP-DTQAZKPQSA-N 1 0 374.464 5.473 50 0 FKAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3F)s2)c1 ZINC000028925003 571035611 /nfs/dbraw/zinc/03/56/11/571035611.db2.gz QCHAECOOVCIIMT-CQSZACIVSA-N 1 0 368.477 5.363 50 0 FKAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3F)s2)c1 ZINC000028925004 571035502 /nfs/dbraw/zinc/03/55/02/571035502.db2.gz QCHAECOOVCIIMT-AWEZNQCLSA-N 1 0 368.477 5.363 50 0 FKAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)c1 ZINC000028925017 571035561 /nfs/dbraw/zinc/03/55/61/571035561.db2.gz REXMAPMKBJMTNR-CQSZACIVSA-N 1 0 368.477 5.363 50 0 FKAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)c1 ZINC000028925018 571035643 /nfs/dbraw/zinc/03/56/43/571035643.db2.gz REXMAPMKBJMTNR-AWEZNQCLSA-N 1 0 368.477 5.363 50 0 FKAARO COc1ccc2cc(C[NH2+][C@@H](C)c3ccc(NC(=O)C4CC4)cc3)ccc2c1 ZINC000028925374 571341363 /nfs/dbraw/zinc/34/13/63/571341363.db2.gz OZYBAGVRBSWVKC-INIZCTEOSA-N 1 0 374.484 5.048 50 0 FKAARO COc1ccc2cc(C[NH2+][C@H](C)c3ccc(NC(=O)C4CC4)cc3)ccc2c1 ZINC000028925375 571341376 /nfs/dbraw/zinc/34/13/76/571341376.db2.gz OZYBAGVRBSWVKC-MRXNPFEDSA-N 1 0 374.484 5.048 50 0 FKAARO C[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000029482593 571040361 /nfs/dbraw/zinc/04/03/61/571040361.db2.gz KCKZKMSBPQAGKU-JOCHJYFZSA-N 1 0 372.468 5.037 50 0 FKAARO C[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)[C@H]1CCc2ccccc21 ZINC000029482595 571040409 /nfs/dbraw/zinc/04/04/09/571040409.db2.gz KCKZKMSBPQAGKU-QFIPXVFZSA-N 1 0 372.468 5.037 50 0 FKAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029484045 571040471 /nfs/dbraw/zinc/04/04/71/571040471.db2.gz HTPSAVZYBUWONZ-JOCHJYFZSA-N 1 0 364.533 5.491 50 0 FKAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029484048 571040437 /nfs/dbraw/zinc/04/04/37/571040437.db2.gz HTPSAVZYBUWONZ-QFIPXVFZSA-N 1 0 364.533 5.491 50 0 FKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCCC(O)(c1ccccc1)c1ccccc1 ZINC000029551814 571342669 /nfs/dbraw/zinc/34/26/69/571342669.db2.gz KUFREUPVXVHBCT-NHCUHLMSSA-N 1 0 351.534 5.356 50 0 FKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCC(O)(c1ccccc1)c1ccccc1 ZINC000029551818 571342672 /nfs/dbraw/zinc/34/26/72/571342672.db2.gz KUFREUPVXVHBCT-OYRHEFFESA-N 1 0 351.534 5.356 50 0 FKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCCC(O)(c1ccccc1)c1ccccc1 ZINC000029551823 571342684 /nfs/dbraw/zinc/34/26/84/571342684.db2.gz KUFREUPVXVHBCT-SFTDATJTSA-N 1 0 351.534 5.356 50 0 FKAARO C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1cc2ccccc2o1 ZINC000030545619 571048194 /nfs/dbraw/zinc/04/81/94/571048194.db2.gz DGJINWLLOGLFFH-QGZVFWFLSA-N 1 0 358.441 5.258 50 0 FKAARO C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1cc2ccccc2o1 ZINC000030545620 208002793 /nfs/dbraw/zinc/00/27/93/208002793.db2.gz DGJINWLLOGLFFH-KRWDZBQOSA-N 1 0 358.441 5.258 50 0 FKAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)c1cc2ccccc2o1 ZINC000030545622 208002002 /nfs/dbraw/zinc/00/20/02/208002002.db2.gz UTAYXPJYLROSGN-QGZVFWFLSA-N 1 0 358.441 5.258 50 0 FKAARO C[C@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)c1cc2ccccc2o1 ZINC000030545623 571048164 /nfs/dbraw/zinc/04/81/64/571048164.db2.gz UTAYXPJYLROSGN-KRWDZBQOSA-N 1 0 358.441 5.258 50 0 FKAARO COc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3F)s2)cc1F ZINC000030628262 571048308 /nfs/dbraw/zinc/04/83/08/571048308.db2.gz HYRMNTFSXCWSBC-CYBMUJFWSA-N 1 0 359.441 5.553 50 0 FKAARO COc1ccc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3F)s2)cc1F ZINC000030628266 204910067 /nfs/dbraw/zinc/91/00/67/204910067.db2.gz HYRMNTFSXCWSBC-ZDUSSCGKSA-N 1 0 359.441 5.553 50 0 FKAARO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000031538585 571352734 /nfs/dbraw/zinc/35/27/34/571352734.db2.gz UJUYJZCVJDTUSS-UHFFFAOYSA-N 1 0 366.436 5.180 50 0 FKAARO c1ccc(N2CC[NH+]([C@@H]3Cc4ccccc4Sc4ccccc43)CC2)cc1 ZINC000031559723 571352794 /nfs/dbraw/zinc/35/27/94/571352794.db2.gz YJYIZAFFTXOBSP-JOCHJYFZSA-N 1 0 372.537 5.257 50 0 FKAARO c1ccc(N2CC[NH+]([C@H]3Cc4ccccc4Sc4ccccc43)CC2)cc1 ZINC000031559725 571352834 /nfs/dbraw/zinc/35/28/34/571352834.db2.gz YJYIZAFFTXOBSP-QFIPXVFZSA-N 1 0 372.537 5.257 50 0 FKAARO C[C@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(Cc1cccs1)Cc1ccccc1 ZINC000032069950 571355377 /nfs/dbraw/zinc/35/53/77/571355377.db2.gz TYKICFSRGFZJSE-NFBKMPQASA-N 1 0 371.590 5.477 50 0 FKAARO C[C@@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(Cc1cccs1)Cc1ccccc1 ZINC000032069953 204923775 /nfs/dbraw/zinc/92/37/75/204923775.db2.gz TYKICFSRGFZJSE-OFNKIYASSA-N 1 0 371.590 5.477 50 0 FKAARO C[C@](CC[NH2+][C@H]1CCOC(C)(C)C1)(Cc1cccs1)Cc1ccccc1 ZINC000032069955 571355358 /nfs/dbraw/zinc/35/53/58/571355358.db2.gz TYKICFSRGFZJSE-NZQKXSOJSA-N 1 0 371.590 5.477 50 0 FKAARO C[C@@](CC[NH2+][C@H]1CCOC(C)(C)C1)(Cc1cccs1)Cc1ccccc1 ZINC000032069959 571355361 /nfs/dbraw/zinc/35/53/61/571355361.db2.gz TYKICFSRGFZJSE-REWPJTCUSA-N 1 0 371.590 5.477 50 0 FKAARO C[C@](CC[NH2+][C@H]1CCOC(C)(C)C1)(Cc1ccccc1)c1ccccc1 ZINC000032074020 571355411 /nfs/dbraw/zinc/35/54/11/571355411.db2.gz KLCPIWBXAYSNQW-UPVQGACJSA-N 1 0 351.534 5.124 50 0 FKAARO C[C@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(Cc1ccccc1)c1ccccc1 ZINC000032074022 571355439 /nfs/dbraw/zinc/35/54/39/571355439.db2.gz KLCPIWBXAYSNQW-VWNXMTODSA-N 1 0 351.534 5.124 50 0 FKAARO C[C@@](CC[NH2+][C@H]1CCOC(C)(C)C1)(Cc1ccccc1)c1ccccc1 ZINC000032074023 571355408 /nfs/dbraw/zinc/35/54/08/571355408.db2.gz KLCPIWBXAYSNQW-LADGPHEKSA-N 1 0 351.534 5.124 50 0 FKAARO C[C@@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(Cc1ccccc1)c1ccccc1 ZINC000032074024 571355404 /nfs/dbraw/zinc/35/54/04/571355404.db2.gz KLCPIWBXAYSNQW-ISKFKSNPSA-N 1 0 351.534 5.124 50 0 FKAARO C[C@@](CC[NH2+][C@H]1CCOC(C)(C)C1)(c1cccc(C(F)(F)F)c1)C1CC1 ZINC000032087941 209848969 /nfs/dbraw/zinc/84/89/69/209848969.db2.gz MXIQFLMWRRVXLL-ICSRJNTNSA-N 1 0 369.471 5.310 50 0 FKAARO C[C@@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(c1cccc(C(F)(F)F)c1)C1CC1 ZINC000032087945 206510758 /nfs/dbraw/zinc/51/07/58/206510758.db2.gz MXIQFLMWRRVXLL-QUCCMNQESA-N 1 0 369.471 5.310 50 0 FKAARO C[C@](CC[NH2+][C@H]1CCOC(C)(C)C1)(c1cccc(C(F)(F)F)c1)C1CC1 ZINC000032087948 220654945 /nfs/dbraw/zinc/65/49/45/220654945.db2.gz MXIQFLMWRRVXLL-AZUAARDMSA-N 1 0 369.471 5.310 50 0 FKAARO C[C@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(c1cccc(C(F)(F)F)c1)C1CC1 ZINC000032087951 571355490 /nfs/dbraw/zinc/35/54/90/571355490.db2.gz MXIQFLMWRRVXLL-UYAOXDASSA-N 1 0 369.471 5.310 50 0 FKAARO CC1(C)C[C@@H]([NH2+]CCC2(Cc3ccc(Cl)cc3)CCCCC2)CCO1 ZINC000032089577 571355555 /nfs/dbraw/zinc/35/55/55/571355555.db2.gz ARKOTUGWNRCWDA-FQEVSTJZSA-N 1 0 363.973 5.770 50 0 FKAARO CC1(C)C[C@H]([NH2+]CCC2(Cc3ccc(Cl)cc3)CCCCC2)CCO1 ZINC000032089581 571355556 /nfs/dbraw/zinc/35/55/56/571355556.db2.gz ARKOTUGWNRCWDA-HXUWFJFHSA-N 1 0 363.973 5.770 50 0 FKAARO CC(C)CC[C@@H](CC[NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000032094430 220654446 /nfs/dbraw/zinc/65/44/46/220654446.db2.gz XFVIWMOPUHYFLJ-AZUAARDMSA-N 1 0 351.962 5.797 50 0 FKAARO CC(C)CC[C@H](CC[NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000032094432 571355641 /nfs/dbraw/zinc/35/56/41/571355641.db2.gz XFVIWMOPUHYFLJ-UYAOXDASSA-N 1 0 351.962 5.797 50 0 FKAARO CC(C)CC[C@@H](CC[NH2+][C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000032094434 208023234 /nfs/dbraw/zinc/02/32/34/208023234.db2.gz XFVIWMOPUHYFLJ-ICSRJNTNSA-N 1 0 351.962 5.797 50 0 FKAARO CC(C)CC[C@H](CC[NH2+][C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000032094436 571355631 /nfs/dbraw/zinc/35/56/31/571355631.db2.gz XFVIWMOPUHYFLJ-QUCCMNQESA-N 1 0 351.962 5.797 50 0 FKAARO CC(C)(C)c1ccc(C(=O)N2CCC(CC[NH+]3CCCCCC3)CC2)cc1 ZINC000032593852 570750557 /nfs/dbraw/zinc/75/05/57/570750557.db2.gz FMHOMCWFPSTNJP-UHFFFAOYSA-N 1 0 370.581 5.102 50 0 FKAARO CCc1ccc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC000032716526 570777966 /nfs/dbraw/zinc/77/79/66/570777966.db2.gz YZSRNWCZNINTJU-UHFFFAOYSA-N 1 0 350.506 5.266 50 0 FKAARO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H](C)c3cc4ccccc4o3)c2cc1C ZINC000032754477 570794480 /nfs/dbraw/zinc/79/44/80/570794480.db2.gz GYMDJKKZVBQKDU-MRXNPFEDSA-N 1 0 361.441 5.349 50 0 FKAARO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H](C)c3cc4ccccc4o3)c2cc1C ZINC000032754478 570794368 /nfs/dbraw/zinc/79/43/68/570794368.db2.gz GYMDJKKZVBQKDU-INIZCTEOSA-N 1 0 361.441 5.349 50 0 FKAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000032903623 570842201 /nfs/dbraw/zinc/84/22/01/570842201.db2.gz JSTUUSQSFHZUTG-UHFFFAOYSA-N 1 0 362.926 5.418 50 0 FKAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)oc2c(C)cc(C)cc12 ZINC000033018754 571061157 /nfs/dbraw/zinc/06/11/57/571061157.db2.gz FPLDSIPHFQATLW-UHFFFAOYSA-N 1 0 355.865 5.085 50 0 FKAARO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1Cl ZINC000033040090 208069271 /nfs/dbraw/zinc/06/92/71/208069271.db2.gz GSYXGONAGCCDRU-UONOGXRCSA-N 1 0 370.855 5.310 50 0 FKAARO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1Cl ZINC000033040091 571114883 /nfs/dbraw/zinc/11/48/83/571114883.db2.gz GSYXGONAGCCDRU-KBPBESRZSA-N 1 0 370.855 5.310 50 0 FKAARO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1Cl ZINC000033040092 571114880 /nfs/dbraw/zinc/11/48/80/571114880.db2.gz GSYXGONAGCCDRU-ZIAGYGMSSA-N 1 0 370.855 5.310 50 0 FKAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1Cl)c1ccc2ccccc2c1 ZINC000033040093 571114890 /nfs/dbraw/zinc/11/48/90/571114890.db2.gz GSYXGONAGCCDRU-KGLIPLIRSA-N 1 0 370.855 5.310 50 0 FKAARO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087074 571062065 /nfs/dbraw/zinc/06/20/65/571062065.db2.gz PFCQQTYYXOOKFI-GOSISDBHSA-N 1 0 355.482 5.395 50 0 FKAARO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087075 571062061 /nfs/dbraw/zinc/06/20/61/571062061.db2.gz PFCQQTYYXOOKFI-SFHVURJKSA-N 1 0 355.482 5.395 50 0 FKAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087076 571062044 /nfs/dbraw/zinc/06/20/44/571062044.db2.gz RWKALEUFIYHCAG-LJQANCHMSA-N 1 0 367.518 5.264 50 0 FKAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087077 208071872 /nfs/dbraw/zinc/07/18/72/208071872.db2.gz RWKALEUFIYHCAG-IBGZPJMESA-N 1 0 367.518 5.264 50 0 FKAARO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087090 571061972 /nfs/dbraw/zinc/06/19/72/571061972.db2.gz FIIKCJRQASLZLQ-LJQANCHMSA-N 1 0 351.519 5.564 50 0 FKAARO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087091 571061983 /nfs/dbraw/zinc/06/19/83/571061983.db2.gz FIIKCJRQASLZLQ-IBGZPJMESA-N 1 0 351.519 5.564 50 0 FKAARO Cc1ccsc1[C@H]1CCCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000033087092 571061918 /nfs/dbraw/zinc/06/19/18/571061918.db2.gz MZWZWXURZPJETO-HXUWFJFHSA-N 1 0 365.546 5.872 50 0 FKAARO Cc1ccsc1[C@@H]1CCCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000033087093 571062138 /nfs/dbraw/zinc/06/21/38/571062138.db2.gz MZWZWXURZPJETO-FQEVSTJZSA-N 1 0 365.546 5.872 50 0 FKAARO Brc1ccccc1C[N@@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087094 571062073 /nfs/dbraw/zinc/06/20/73/571062073.db2.gz ADAORSPBVYFTEU-MRXNPFEDSA-N 1 0 350.325 5.628 50 0 FKAARO Brc1ccccc1C[N@@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087095 571061869 /nfs/dbraw/zinc/06/18/69/571061869.db2.gz ADAORSPBVYFTEU-INIZCTEOSA-N 1 0 350.325 5.628 50 0 FKAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)cc2)c(OC)c1OC ZINC000033087122 208070219 /nfs/dbraw/zinc/07/02/19/208070219.db2.gz NVSZFSLMPGRGIW-HXUWFJFHSA-N 1 0 369.505 5.138 50 0 FKAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)cc2)c(OC)c1OC ZINC000033087123 208071271 /nfs/dbraw/zinc/07/12/71/208071271.db2.gz NVSZFSLMPGRGIW-FQEVSTJZSA-N 1 0 369.505 5.138 50 0 FKAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccc(C)c2)c(OC)c1OC ZINC000033087124 571062039 /nfs/dbraw/zinc/06/20/39/571062039.db2.gz TUTHGVOXZDFYQR-HXUWFJFHSA-N 1 0 369.505 5.138 50 0 FKAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccc(C)c2)c(OC)c1OC ZINC000033087125 571061853 /nfs/dbraw/zinc/06/18/53/571061853.db2.gz TUTHGVOXZDFYQR-FQEVSTJZSA-N 1 0 369.505 5.138 50 0 FKAARO Brc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087164 571062078 /nfs/dbraw/zinc/06/20/78/571062078.db2.gz ZHLGCRGUNOLQSX-MRXNPFEDSA-N 1 0 350.325 5.628 50 0 FKAARO Brc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087165 571061946 /nfs/dbraw/zinc/06/19/46/571061946.db2.gz ZHLGCRGUNOLQSX-INIZCTEOSA-N 1 0 350.325 5.628 50 0 FKAARO Cc1ccsc1[C@@H]1CCCCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000033087166 571062123 /nfs/dbraw/zinc/06/21/23/571062123.db2.gz PZOBYTBISMUHJS-KRWDZBQOSA-N 1 0 364.352 5.936 50 0 FKAARO Cc1ccsc1[C@H]1CCCCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000033087167 208070048 /nfs/dbraw/zinc/07/00/48/208070048.db2.gz PZOBYTBISMUHJS-QGZVFWFLSA-N 1 0 364.352 5.936 50 0 FKAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000033087168 571062105 /nfs/dbraw/zinc/06/21/05/571062105.db2.gz YLNUBUBGHDIWFN-HXUWFJFHSA-N 1 0 369.505 5.138 50 0 FKAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@H]1c1ccc(C)cc1 ZINC000033087169 571061889 /nfs/dbraw/zinc/06/18/89/571061889.db2.gz YLNUBUBGHDIWFN-FQEVSTJZSA-N 1 0 369.505 5.138 50 0 FKAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC000033087170 208070594 /nfs/dbraw/zinc/07/05/94/208070594.db2.gz YFYGMRHJNGYQLY-HXUWFJFHSA-N 1 0 369.505 5.138 50 0 FKAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC000033087171 208071518 /nfs/dbraw/zinc/07/15/18/208071518.db2.gz YFYGMRHJNGYQLY-FQEVSTJZSA-N 1 0 369.505 5.138 50 0 FKAARO Brc1cccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087180 571062055 /nfs/dbraw/zinc/06/20/55/571062055.db2.gz WQAJJQLQDWCGGU-MRXNPFEDSA-N 1 0 350.325 5.628 50 0 FKAARO Brc1cccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087181 571062083 /nfs/dbraw/zinc/06/20/83/571062083.db2.gz WQAJJQLQDWCGGU-INIZCTEOSA-N 1 0 350.325 5.628 50 0 FKAARO Cc1ccsc1[C@@H]1CCCCC[N@@H+]1Cc1cccc(Br)c1 ZINC000033087182 208070943 /nfs/dbraw/zinc/07/09/43/208070943.db2.gz JHKFFNLLZIDRDU-KRWDZBQOSA-N 1 0 364.352 5.936 50 0 FKAARO Cc1ccsc1[C@H]1CCCCC[N@@H+]1Cc1cccc(Br)c1 ZINC000033087183 208071093 /nfs/dbraw/zinc/07/10/93/208071093.db2.gz JHKFFNLLZIDRDU-QGZVFWFLSA-N 1 0 364.352 5.936 50 0 FKAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)ccc1OC(C)C ZINC000033087202 571061963 /nfs/dbraw/zinc/06/19/63/571061963.db2.gz CZDFXMQEQNUIHN-GOSISDBHSA-N 1 0 359.535 5.661 50 0 FKAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cccs2)ccc1OC(C)C ZINC000033087203 571061832 /nfs/dbraw/zinc/06/18/32/571061832.db2.gz CZDFXMQEQNUIHN-SFHVURJKSA-N 1 0 359.535 5.661 50 0 FKAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2sccc2C)ccc1OC(C)C ZINC000033087204 571062016 /nfs/dbraw/zinc/06/20/16/571062016.db2.gz OBOKAZMKCLOBFW-LJQANCHMSA-N 1 0 373.562 5.970 50 0 FKAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2sccc2C)ccc1OC(C)C ZINC000033087205 571062494 /nfs/dbraw/zinc/06/24/94/571062494.db2.gz OBOKAZMKCLOBFW-IBGZPJMESA-N 1 0 373.562 5.970 50 0 FKAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)ccc1OCC(C)C ZINC000033087220 571062420 /nfs/dbraw/zinc/06/24/20/571062420.db2.gz KSNWOLNFOKSTMW-LJQANCHMSA-N 1 0 373.562 5.909 50 0 FKAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cccs2)ccc1OCC(C)C ZINC000033087221 571062380 /nfs/dbraw/zinc/06/23/80/571062380.db2.gz KSNWOLNFOKSTMW-IBGZPJMESA-N 1 0 373.562 5.909 50 0 FKAARO Clc1ccc([C@H](c2nnc(-c3ccccc3)o2)N2CCCCCC2)cc1 ZINC000033268278 571203377 /nfs/dbraw/zinc/20/33/77/571203377.db2.gz JYMGBFKLBQQEHB-LJQANCHMSA-N 1 0 367.880 5.355 50 0 FKAARO C[NH+](C)CC/C=C1\c2ccccc2Sc2ccc(N3CCCCC3)cc21 ZINC000033336178 571236004 /nfs/dbraw/zinc/23/60/04/571236004.db2.gz APMTYFLIVDYNSQ-VXLYETTFSA-N 1 0 364.558 5.525 50 0 FKAARO Cc1ccc(/C=C2/CCCC3=C2[NH+]=C2N=CNN2[C@@H]3c2ccc(C)cc2)cc1 ZINC000033357559 208089614 /nfs/dbraw/zinc/08/96/14/208089614.db2.gz CPCCYTXCYNMEGO-QFXXMJIKSA-N 1 0 368.484 5.084 50 0 FKAARO CC[C@@H](C(=O)SCC[NH+](CC)CC)c1ccc(-c2ccccc2)cc1 ZINC000033956457 521893988 /nfs/dbraw/zinc/89/39/88/521893988.db2.gz PFNLUFYAGHJNKJ-OAQYLSRUSA-N 1 0 355.547 5.449 50 0 in-man FKAARO Brc1ccc2[nH]cc(C3=CC[N@H+](Cc4ccccc4)CC3)c2c1 ZINC000034287700 571068448 /nfs/dbraw/zinc/06/84/48/571068448.db2.gz JUYNGLUHLPFYPP-UHFFFAOYSA-N 1 0 367.290 5.220 50 0 FKAARO C[N@H+](Cc1ccccc1)Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000034670289 570527092 /nfs/dbraw/zinc/52/70/92/570527092.db2.gz KDEWNARIZUXXRZ-UHFFFAOYSA-N 1 0 356.391 5.399 50 0 FKAARO C[N@H+](Cc1ccccc1)Cc1cncc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000034670337 570527070 /nfs/dbraw/zinc/52/70/70/570527070.db2.gz XKOHPILAXIBOMN-UHFFFAOYSA-N 1 0 357.284 5.687 50 0 FKAARO C[N@H+](Cc1ccccc1)Cc1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000034670374 570527117 /nfs/dbraw/zinc/52/71/17/570527117.db2.gz GQISWGZOWQXFNX-UHFFFAOYSA-N 1 0 364.492 6.048 50 0 FKAARO Cc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000034682542 211618980 /nfs/dbraw/zinc/61/89/80/211618980.db2.gz DWAYQZYMQMGAHV-UHFFFAOYSA-N 1 0 364.533 5.152 50 0 FKAARO Cc1ccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034682923 570532251 /nfs/dbraw/zinc/53/22/51/570532251.db2.gz PYBKCOAWOKZHHC-UHFFFAOYSA-N 1 0 370.562 5.100 50 0 FKAARO Cc1ccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034682925 570532205 /nfs/dbraw/zinc/53/22/05/570532205.db2.gz TWMNWVSMIONDGG-UHFFFAOYSA-N 1 0 370.562 5.100 50 0 FKAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682926 570532308 /nfs/dbraw/zinc/53/23/08/570532308.db2.gz DGTTVVRPLWSOPU-UHFFFAOYSA-N 1 0 370.924 5.056 50 0 FKAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034682929 570532344 /nfs/dbraw/zinc/53/23/44/570532344.db2.gz HJLITKAXCLVGIC-UHFFFAOYSA-N 1 0 370.924 5.056 50 0 FKAARO Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000034682950 570532270 /nfs/dbraw/zinc/53/22/70/570532270.db2.gz BMQJJWKARCZAMZ-UHFFFAOYSA-N 1 0 364.533 5.071 50 0 FKAARO Cc1ccc(N(C(=O)c2cccc(C)c2)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000034683007 570532212 /nfs/dbraw/zinc/53/22/12/570532212.db2.gz VMGLCXBEDVTYKB-UHFFFAOYSA-N 1 0 364.533 5.071 50 0 FKAARO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034683014 570532369 /nfs/dbraw/zinc/53/23/69/570532369.db2.gz MZFMCBMIDGHJJT-UHFFFAOYSA-N 1 0 370.924 5.056 50 0 FKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000034683089 220757665 /nfs/dbraw/zinc/75/76/65/220757665.db2.gz IAHMYPDFPYRIPX-UHFFFAOYSA-N 1 0 364.533 5.016 50 0 FKAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000034683311 208104792 /nfs/dbraw/zinc/10/47/92/208104792.db2.gz LVDDLSLDNIWJDG-UHFFFAOYSA-N 1 0 364.533 5.019 50 0 FKAARO CCCOc1ccc(Br)cc1C[NH2+]CCC1=CCCCC1 ZINC000034992591 570479768 /nfs/dbraw/zinc/47/97/68/570479768.db2.gz KTEQZUNXPQEYKY-UHFFFAOYSA-N 1 0 352.316 5.218 50 0 FKAARO c1nc(Nc2ccc(OCC[NH+]3CCCC3)cc2)sc1-c1ccccc1 ZINC000035052133 570564959 /nfs/dbraw/zinc/56/49/59/570564959.db2.gz FNZTULJDGIXMJJ-UHFFFAOYSA-N 1 0 365.502 5.028 50 0 in-vitro FKAARO CCn1cc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c2cc(OC)ccc21 ZINC000035453902 571076762 /nfs/dbraw/zinc/07/67/62/571076762.db2.gz CZFDMVUWDPBZRE-OAQYLSRUSA-N 1 0 367.493 5.118 50 0 FKAARO CCn1cc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)c2cc(OC)ccc21 ZINC000035453905 571076769 /nfs/dbraw/zinc/07/67/69/571076769.db2.gz CZFDMVUWDPBZRE-NRFANRHFSA-N 1 0 367.493 5.118 50 0 FKAARO CCc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000035511273 571076804 /nfs/dbraw/zinc/07/68/04/571076804.db2.gz MTROAVOWWWHYEU-HXUWFJFHSA-N 1 0 364.493 5.088 50 0 FKAARO CCc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000035511274 571076888 /nfs/dbraw/zinc/07/68/88/571076888.db2.gz MTROAVOWWWHYEU-FQEVSTJZSA-N 1 0 364.493 5.088 50 0 FKAARO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1C ZINC000035511277 571076916 /nfs/dbraw/zinc/07/69/16/571076916.db2.gz XNUWRHCFNQXSFT-HXUWFJFHSA-N 1 0 364.493 5.142 50 0 FKAARO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1C ZINC000035511278 571076743 /nfs/dbraw/zinc/07/67/43/571076743.db2.gz XNUWRHCFNQXSFT-FQEVSTJZSA-N 1 0 364.493 5.142 50 0 FKAARO Cc1ccc(C[N@H+](CCC(C)C)Cc2cccn2Cc2ccccc2)cc1 ZINC000035840970 571206552 /nfs/dbraw/zinc/20/65/52/571206552.db2.gz NTKXMTXGUCNSDE-UHFFFAOYSA-N 1 0 360.545 5.893 50 0 FKAARO Cc1ccccc1C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1 ZINC000035840972 571206513 /nfs/dbraw/zinc/20/65/13/571206513.db2.gz VPMYEMQJLLUNLQ-UHFFFAOYSA-N 1 0 360.545 5.893 50 0 FKAARO CC(C)C[N@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1 ZINC000035841033 208137914 /nfs/dbraw/zinc/13/79/14/208137914.db2.gz HOPWCKZQXVDJRI-UHFFFAOYSA-N 1 0 350.481 5.334 50 0 FKAARO Cc1ccc(Cn2cccc2C[N@H+](Cc2ccccc2C)CC(C)C)cc1 ZINC000035841070 208136863 /nfs/dbraw/zinc/13/68/63/208136863.db2.gz AAXIMTVRHXDECX-UHFFFAOYSA-N 1 0 360.545 5.811 50 0 FKAARO Cc1ccc(Cn2cccc2C[N@@H+](CCC(C)C)Cc2ccccc2C)cc1 ZINC000035841078 571206366 /nfs/dbraw/zinc/20/63/66/571206366.db2.gz QHCOXURUISTEEP-UHFFFAOYSA-N 1 0 374.572 6.202 50 0 FKAARO Cc1ccc(Cn2cccc2C[N@H+](Cc2ccc(C)cc2)[C@@H](C)C(C)C)cc1 ZINC000035841080 571206379 /nfs/dbraw/zinc/20/63/79/571206379.db2.gz HDVZFZMFSHXFOJ-QHCPKHFHSA-N 1 0 374.572 6.200 50 0 FKAARO Cc1ccc(Cn2cccc2C[N@H+](Cc2ccc(C)cc2)[C@H](C)C(C)C)cc1 ZINC000035841082 571206460 /nfs/dbraw/zinc/20/64/60/571206460.db2.gz HDVZFZMFSHXFOJ-HSZRJFAPSA-N 1 0 374.572 6.200 50 0 FKAARO Cc1ccccc1Cn1cccc1C[N@@H+](CCC(C)C)Cc1ccccc1 ZINC000035841106 571206389 /nfs/dbraw/zinc/20/63/89/571206389.db2.gz XKFCOPXPFNBMCD-UHFFFAOYSA-N 1 0 360.545 5.893 50 0 FKAARO CC(C)C[N@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1F ZINC000035841244 208136337 /nfs/dbraw/zinc/13/63/37/208136337.db2.gz MFJMLWXTKZXYTM-UHFFFAOYSA-N 1 0 368.471 5.473 50 0 FKAARO CC(C)(C)[N@@H+]1C[C@H](C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000036046447 571192498 /nfs/dbraw/zinc/19/24/98/571192498.db2.gz XMFSKUXGHWGRAM-BJKOFHAPSA-N 1 0 369.508 6.008 50 0 FKAARO CCN(CC)c1nc(-c2ccc(Cl)cc2)nc(N(CC)CC)c1Cl ZINC000036047512 571079439 /nfs/dbraw/zinc/07/94/39/571079439.db2.gz CERCDFNJTFNYOO-UHFFFAOYSA-N 1 0 367.324 5.143 50 0 FKAARO CCCC(O)(CCC)c1ccc(C[N@H+](Cc2cccs2)[C@@H](C)CC)o1 ZINC000036157162 571243883 /nfs/dbraw/zinc/24/38/83/571243883.db2.gz NZXPVAIJXIVGNI-KRWDZBQOSA-N 1 0 363.567 5.930 50 0 FKAARO CCCC(O)(CCC)c1ccc(C[N@H+](Cc2cccs2)[C@H](C)CC)o1 ZINC000036157166 205007759 /nfs/dbraw/zinc/00/77/59/205007759.db2.gz NZXPVAIJXIVGNI-QGZVFWFLSA-N 1 0 363.567 5.930 50 0 FKAARO CCC[N@H+](Cc1ccc(C(O)(CCC)CCC)o1)Cc1ccc(OC)cc1 ZINC000036167687 205006514 /nfs/dbraw/zinc/00/65/14/205006514.db2.gz IHTBUMLOAUINHZ-UHFFFAOYSA-N 1 0 373.537 5.488 50 0 FKAARO CCCC(O)(CCC)c1ccc(C[N@H+](Cc2ccc(C)cc2)C(C)C)o1 ZINC000036202788 208148622 /nfs/dbraw/zinc/14/86/22/208148622.db2.gz CMEZDUGDUQQSBE-UHFFFAOYSA-N 1 0 357.538 5.786 50 0 FKAARO CCCC(O)(CCC)c1ccc(C[N@H+](Cc2ccccc2C)C(C)C)o1 ZINC000036203259 211655185 /nfs/dbraw/zinc/65/51/85/211655185.db2.gz FEPISRLQCHMBFM-UHFFFAOYSA-N 1 0 357.538 5.786 50 0 FKAARO CCC[N@H+](Cc1ccc(C(O)(CCC)CCC)o1)Cc1cccc(OC)c1 ZINC000036203416 571244923 /nfs/dbraw/zinc/24/49/23/571244923.db2.gz SMUOPQOBTOYMMJ-UHFFFAOYSA-N 1 0 373.537 5.488 50 0 FKAARO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000036347250 571248910 /nfs/dbraw/zinc/24/89/10/571248910.db2.gz KMTKZNSYGLPVTA-DEOSSOPVSA-N 1 0 360.501 5.191 50 0 FKAARO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000036347251 571248808 /nfs/dbraw/zinc/24/88/08/571248808.db2.gz KMTKZNSYGLPVTA-XMMPIXPASA-N 1 0 360.501 5.191 50 0 FKAARO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1 ZINC000036347356 208156112 /nfs/dbraw/zinc/15/61/12/208156112.db2.gz DGZUCQDVXAIVBO-NRFANRHFSA-N 1 0 370.418 5.502 50 0 FKAARO FC(F)(F)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1 ZINC000036347357 205010507 /nfs/dbraw/zinc/01/05/07/205010507.db2.gz DGZUCQDVXAIVBO-OAQYLSRUSA-N 1 0 370.418 5.502 50 0 FKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000036347458 208153947 /nfs/dbraw/zinc/15/39/47/208153947.db2.gz DSTPGYRQZDHPCZ-QHCPKHFHSA-N 1 0 364.920 5.699 50 0 FKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000036347459 205010155 /nfs/dbraw/zinc/01/01/55/205010155.db2.gz DSTPGYRQZDHPCZ-HSZRJFAPSA-N 1 0 364.920 5.699 50 0 FKAARO Clc1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2)cc1Cl ZINC000036347485 571248573 /nfs/dbraw/zinc/24/85/73/571248573.db2.gz NLPSUGCSMBIBCO-OAQYLSRUSA-N 1 0 371.311 5.790 50 0 FKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000036347504 571248503 /nfs/dbraw/zinc/24/85/03/571248503.db2.gz QOPPQXGQVZBWEO-QFIPXVFZSA-N 1 0 350.893 5.445 50 0 FKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000036347505 571248507 /nfs/dbraw/zinc/24/85/07/571248507.db2.gz QOPPQXGQVZBWEO-JOCHJYFZSA-N 1 0 350.893 5.445 50 0 FKAARO Clc1cccc(CN2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)c1 ZINC000036347510 571248486 /nfs/dbraw/zinc/24/84/86/571248486.db2.gz XJXOPVWXKXHEPZ-NRFANRHFSA-N 1 0 371.311 5.790 50 0 FKAARO Clc1cccc(CN2CCCn3cccc3[C@H]2c2cccc(Cl)c2)c1 ZINC000036347511 571248552 /nfs/dbraw/zinc/24/85/52/571248552.db2.gz XJXOPVWXKXHEPZ-OAQYLSRUSA-N 1 0 371.311 5.790 50 0 FKAARO Fc1ccccc1CN1CCCn2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000036347522 571248610 /nfs/dbraw/zinc/24/86/10/571248610.db2.gz YKOVVDKEVCVKST-NRFANRHFSA-N 1 0 354.856 5.276 50 0 FKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)c1 ZINC000036347538 571248723 /nfs/dbraw/zinc/24/87/23/571248723.db2.gz CJLSYZXWESHADX-QFIPXVFZSA-N 1 0 350.893 5.445 50 0 FKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Cl)c2)c1 ZINC000036347539 205010406 /nfs/dbraw/zinc/01/04/06/205010406.db2.gz CJLSYZXWESHADX-JOCHJYFZSA-N 1 0 350.893 5.445 50 0 FKAARO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cc(C)ccc2C)cc1 ZINC000036347576 205010177 /nfs/dbraw/zinc/01/01/77/205010177.db2.gz UIUYVBNKQXQOAY-DEOSSOPVSA-N 1 0 360.501 5.109 50 0 FKAARO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cc(C)ccc2C)cc1 ZINC000036347577 208155711 /nfs/dbraw/zinc/15/57/11/208155711.db2.gz UIUYVBNKQXQOAY-XMMPIXPASA-N 1 0 360.501 5.109 50 0 FKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(OC)cc1 ZINC000036347586 205009922 /nfs/dbraw/zinc/00/99/22/205009922.db2.gz FIIYTBZNBFDICP-DEOSSOPVSA-N 1 0 360.501 5.054 50 0 FKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(OC)cc1 ZINC000036347587 208154014 /nfs/dbraw/zinc/15/40/14/208154014.db2.gz FIIYTBZNBFDICP-XMMPIXPASA-N 1 0 360.501 5.054 50 0 FKAARO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000036347624 571248860 /nfs/dbraw/zinc/24/88/60/571248860.db2.gz KXYIDNOBQFBZQO-DEOSSOPVSA-N 1 0 362.492 5.746 50 0 FKAARO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000036347625 208156461 /nfs/dbraw/zinc/15/64/61/208156461.db2.gz KXYIDNOBQFBZQO-XMMPIXPASA-N 1 0 362.492 5.746 50 0 FKAARO CCOc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000036347734 571248888 /nfs/dbraw/zinc/24/88/88/571248888.db2.gz YLFLVCJJDJHLEI-XMMPIXPASA-N 1 0 360.501 5.191 50 0 FKAARO CCOc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000036347735 205009695 /nfs/dbraw/zinc/00/96/95/205009695.db2.gz YLFLVCJJDJHLEI-DEOSSOPVSA-N 1 0 360.501 5.191 50 0 FKAARO CCOc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C)cc1 ZINC000036347755 571248958 /nfs/dbraw/zinc/24/89/58/571248958.db2.gz YILPHCYMHZFQFF-XMMPIXPASA-N 1 0 360.501 5.191 50 0 FKAARO CCOc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C)cc1 ZINC000036347756 571248998 /nfs/dbraw/zinc/24/89/98/571248998.db2.gz YILPHCYMHZFQFF-DEOSSOPVSA-N 1 0 360.501 5.191 50 0 FKAARO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2F)cc1 ZINC000036347845 571249024 /nfs/dbraw/zinc/24/90/24/571249024.db2.gz DTLBLBXYCFGDSZ-DEOSSOPVSA-N 1 0 362.492 5.746 50 0 FKAARO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2F)cc1 ZINC000036347846 205011182 /nfs/dbraw/zinc/01/11/82/205011182.db2.gz DTLBLBXYCFGDSZ-XMMPIXPASA-N 1 0 362.492 5.746 50 0 FKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000036348013 208153919 /nfs/dbraw/zinc/15/39/19/208153919.db2.gz UFISMVQIGMCTEO-RUZDIDTESA-N 1 0 374.528 5.615 50 0 FKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000036348014 571249088 /nfs/dbraw/zinc/24/90/88/571249088.db2.gz UFISMVQIGMCTEO-VWLOTQADSA-N 1 0 374.528 5.615 50 0 FKAARO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000036348015 571248982 /nfs/dbraw/zinc/24/89/82/571248982.db2.gz GTJBFKJWIDHLIQ-XMMPIXPASA-N 1 0 362.492 5.746 50 0 FKAARO CC(C)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000036348016 571249065 /nfs/dbraw/zinc/24/90/65/571249065.db2.gz GTJBFKJWIDHLIQ-DEOSSOPVSA-N 1 0 362.492 5.746 50 0 FKAARO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2F)cc1 ZINC000036348023 205011048 /nfs/dbraw/zinc/01/10/48/205011048.db2.gz SVCHBOBKCQLYQY-XMMPIXPASA-N 1 0 362.492 5.746 50 0 FKAARO CC(C)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2F)cc1 ZINC000036348024 208154991 /nfs/dbraw/zinc/15/49/91/208154991.db2.gz SVCHBOBKCQLYQY-DEOSSOPVSA-N 1 0 362.492 5.746 50 0 FKAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000036348043 208156008 /nfs/dbraw/zinc/15/60/08/208156008.db2.gz SXYULXDBRFLCAF-HSZRJFAPSA-N 1 0 364.920 5.699 50 0 FKAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000036348044 571249085 /nfs/dbraw/zinc/24/90/85/571249085.db2.gz SXYULXDBRFLCAF-QHCPKHFHSA-N 1 0 364.920 5.699 50 0 FKAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000036348049 571248926 /nfs/dbraw/zinc/24/89/26/571248926.db2.gz LQRMZZGVQPAOEK-HSZRJFAPSA-N 1 0 364.920 5.699 50 0 FKAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000036348050 205010355 /nfs/dbraw/zinc/01/03/55/205010355.db2.gz LQRMZZGVQPAOEK-QHCPKHFHSA-N 1 0 364.920 5.699 50 0 FKAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(OC)cc2)cc1 ZINC000036348051 571249068 /nfs/dbraw/zinc/24/90/68/571249068.db2.gz SEJUPMIFTQGOQC-XMMPIXPASA-N 1 0 360.501 5.054 50 0 FKAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(OC)cc2)cc1 ZINC000036348052 571249003 /nfs/dbraw/zinc/24/90/03/571249003.db2.gz SEJUPMIFTQGOQC-DEOSSOPVSA-N 1 0 360.501 5.054 50 0 FKAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2OC)cc1 ZINC000036348057 205010541 /nfs/dbraw/zinc/01/05/41/205010541.db2.gz UJEUBIXIZUOCIA-XMMPIXPASA-N 1 0 360.501 5.054 50 0 FKAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2OC)cc1 ZINC000036348058 571248942 /nfs/dbraw/zinc/24/89/42/571248942.db2.gz UJEUBIXIZUOCIA-DEOSSOPVSA-N 1 0 360.501 5.054 50 0 FKAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2CC)cc1 ZINC000036348091 571249013 /nfs/dbraw/zinc/24/90/13/571249013.db2.gz ZNLNZLDQAQPNOZ-RUZDIDTESA-N 1 0 358.529 5.608 50 0 FKAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2CC)cc1 ZINC000036348092 571249119 /nfs/dbraw/zinc/24/91/19/571249119.db2.gz ZNLNZLDQAQPNOZ-VWLOTQADSA-N 1 0 358.529 5.608 50 0 FKAARO Cc1ccc(C)c([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2Cl)c1 ZINC000036348111 571249112 /nfs/dbraw/zinc/24/91/12/571249112.db2.gz UDVGIUPZMRKUJU-HSZRJFAPSA-N 1 0 364.920 5.754 50 0 FKAARO Cc1ccc(C)c([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2Cl)c1 ZINC000036348112 208153442 /nfs/dbraw/zinc/15/34/42/208153442.db2.gz UDVGIUPZMRKUJU-QHCPKHFHSA-N 1 0 364.920 5.754 50 0 FKAARO CCc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)cc1 ZINC000036348135 205009737 /nfs/dbraw/zinc/00/97/37/205009737.db2.gz WLRMZFSUNFUTQP-VWLOTQADSA-N 1 0 358.529 5.663 50 0 FKAARO CCc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)cc1 ZINC000036348136 205011401 /nfs/dbraw/zinc/01/14/01/205011401.db2.gz WLRMZFSUNFUTQP-RUZDIDTESA-N 1 0 358.529 5.663 50 0 FKAARO COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c1 ZINC000036348137 571249040 /nfs/dbraw/zinc/24/90/40/571249040.db2.gz QLIMIXPYZUSZKX-XMMPIXPASA-N 1 0 360.501 5.109 50 0 FKAARO COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)c1 ZINC000036348138 205009944 /nfs/dbraw/zinc/00/99/44/205009944.db2.gz QLIMIXPYZUSZKX-DEOSSOPVSA-N 1 0 360.501 5.109 50 0 FKAARO CCOc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cc(C)ccc1C ZINC000036348145 571248937 /nfs/dbraw/zinc/24/89/37/571248937.db2.gz ALMNICHOCVHPCB-VWLOTQADSA-N 1 0 374.528 5.499 50 0 FKAARO CCOc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cc(C)ccc1C ZINC000036348146 205011374 /nfs/dbraw/zinc/01/13/74/205011374.db2.gz ALMNICHOCVHPCB-RUZDIDTESA-N 1 0 374.528 5.499 50 0 FKAARO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000036348247 571249045 /nfs/dbraw/zinc/24/90/45/571249045.db2.gz HKPZJSODDRGFKU-DEOSSOPVSA-N 1 0 362.492 5.746 50 0 FKAARO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000036348248 571249050 /nfs/dbraw/zinc/24/90/50/571249050.db2.gz HKPZJSODDRGFKU-XMMPIXPASA-N 1 0 362.492 5.746 50 0 FKAARO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)C)cc2)c1 ZINC000036348343 208156268 /nfs/dbraw/zinc/15/62/68/208156268.db2.gz ZAEPSOCVMFHGQN-VWLOTQADSA-N 1 0 374.528 5.615 50 0 FKAARO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)C)cc2)c1 ZINC000036348344 571248755 /nfs/dbraw/zinc/24/87/55/571248755.db2.gz ZAEPSOCVMFHGQN-RUZDIDTESA-N 1 0 374.528 5.615 50 0 FKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(OC)c1 ZINC000036348351 571248866 /nfs/dbraw/zinc/24/88/66/571248866.db2.gz BGKDMZHETBGXSP-DEOSSOPVSA-N 1 0 360.501 5.054 50 0 FKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cccc(OC)c1 ZINC000036348352 571248907 /nfs/dbraw/zinc/24/89/07/571248907.db2.gz BGKDMZHETBGXSP-XMMPIXPASA-N 1 0 360.501 5.054 50 0 FKAARO Cc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000036348373 208153905 /nfs/dbraw/zinc/15/39/05/208153905.db2.gz QCAPLSDBNYCZJI-JOCHJYFZSA-N 1 0 350.893 5.445 50 0 FKAARO Cc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000036348374 571248836 /nfs/dbraw/zinc/24/88/36/571248836.db2.gz QCAPLSDBNYCZJI-QFIPXVFZSA-N 1 0 350.893 5.445 50 0 FKAARO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(C)c2)cc1 ZINC000036348379 571248778 /nfs/dbraw/zinc/24/87/78/571248778.db2.gz UBHKBTJVXIDWMW-DEOSSOPVSA-N 1 0 360.501 5.191 50 0 FKAARO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(C)c2)cc1 ZINC000036348380 205010931 /nfs/dbraw/zinc/01/09/31/205010931.db2.gz UBHKBTJVXIDWMW-XMMPIXPASA-N 1 0 360.501 5.191 50 0 FKAARO CCc1ccccc1[C@@H]1c2cccn2CCC[N@H+]1Cc1cccc(OC)c1 ZINC000036348578 571249122 /nfs/dbraw/zinc/24/91/22/571249122.db2.gz QABBWNUTZNWSNG-XMMPIXPASA-N 1 0 360.501 5.054 50 0 FKAARO CCc1ccccc1[C@H]1c2cccn2CCC[N@H+]1Cc1cccc(OC)c1 ZINC000036348579 571249062 /nfs/dbraw/zinc/24/90/62/571249062.db2.gz QABBWNUTZNWSNG-DEOSSOPVSA-N 1 0 360.501 5.054 50 0 FKAARO C[N@H+](Cc1ccccc1NC(=O)Cc1ccccc1Cl)C1CCCCC1 ZINC000036719048 571261750 /nfs/dbraw/zinc/26/17/50/571261750.db2.gz FFCYARDVOXYTQD-UHFFFAOYSA-N 1 0 370.924 5.286 50 0 FKAARO C[NH2+]Cc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1 ZINC000036814582 204392834 /nfs/dbraw/zinc/39/28/34/204392834.db2.gz WHXXSQUZERNKOB-UHFFFAOYSA-N 1 0 361.066 5.268 50 0 FKAARO CC(C)c1ccc(NC(=S)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000036847595 205022766 /nfs/dbraw/zinc/02/27/66/205022766.db2.gz IFYSXRPGRFFXFM-UHFFFAOYSA-N 1 0 369.578 5.137 50 0 FKAARO C[N@H+](CCCc1nc(-c2cccs2)no1)Cc1ccc2ccccc2c1 ZINC000037117569 208175022 /nfs/dbraw/zinc/17/50/22/208175022.db2.gz IOLDMHPDXFRDOW-UHFFFAOYSA-N 1 0 363.486 5.016 50 0 FKAARO CC(C)CC[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000037522233 570954486 /nfs/dbraw/zinc/95/44/86/570954486.db2.gz GHQMJDDYKKIBLK-IBGZPJMESA-N 1 0 350.428 5.348 50 0 FKAARO CC(C)CC[N@@H+]1CCCn2cccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000037522234 571287050 /nfs/dbraw/zinc/28/70/50/571287050.db2.gz GHQMJDDYKKIBLK-LJQANCHMSA-N 1 0 350.428 5.348 50 0 FKAARO CC(C)C[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000037522379 205026618 /nfs/dbraw/zinc/02/66/18/205026618.db2.gz PFQQRVIUBXZMGS-DEOSSOPVSA-N 1 0 360.501 5.732 50 0 FKAARO CC(C)C[N@@H+]1CCCn2cccc2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000037522380 571287108 /nfs/dbraw/zinc/28/71/08/571287108.db2.gz PFQQRVIUBXZMGS-XMMPIXPASA-N 1 0 360.501 5.732 50 0 FKAARO CC(C)CC[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000037522628 208181056 /nfs/dbraw/zinc/18/10/56/208181056.db2.gz PVYLJFWHOJXIIU-VWLOTQADSA-N 1 0 374.528 6.122 50 0 FKAARO CC(C)CC[N@@H+]1CCCn2cccc2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000037522629 571287141 /nfs/dbraw/zinc/28/71/41/571287141.db2.gz PVYLJFWHOJXIIU-RUZDIDTESA-N 1 0 374.528 6.122 50 0 FKAARO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)c(C)c2)c1 ZINC000037522672 208180742 /nfs/dbraw/zinc/18/07/42/208180742.db2.gz JJSCZSWHBVYEMM-DEOSSOPVSA-N 1 0 360.501 5.109 50 0 FKAARO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)c(C)c2)c1 ZINC000037522673 571287151 /nfs/dbraw/zinc/28/71/51/571287151.db2.gz JJSCZSWHBVYEMM-XMMPIXPASA-N 1 0 360.501 5.109 50 0 FKAARO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cc(C)cc(C)c2)c1 ZINC000037522676 571287165 /nfs/dbraw/zinc/28/71/65/571287165.db2.gz CXCIMWDJNDSNGI-DEOSSOPVSA-N 1 0 360.501 5.109 50 0 FKAARO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cc(C)cc(C)c2)c1 ZINC000037522677 571287131 /nfs/dbraw/zinc/28/71/31/571287131.db2.gz CXCIMWDJNDSNGI-XMMPIXPASA-N 1 0 360.501 5.109 50 0 FKAARO CC(C)CC[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000037523099 571287313 /nfs/dbraw/zinc/28/73/13/571287313.db2.gz HTPPJVOFIFCZKJ-IBGZPJMESA-N 1 0 351.321 5.636 50 0 FKAARO CC(C)CC[N@@H+]1CCCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000037523100 208179670 /nfs/dbraw/zinc/17/96/70/208179670.db2.gz HTPPJVOFIFCZKJ-LJQANCHMSA-N 1 0 351.321 5.636 50 0 FKAARO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cc(C)cc(C)c2)cc1 ZINC000037523109 571287345 /nfs/dbraw/zinc/28/73/45/571287345.db2.gz QHRVINKDFUZWCA-DEOSSOPVSA-N 1 0 360.501 5.109 50 0 FKAARO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cc(C)cc(C)c2)cc1 ZINC000037523110 571287221 /nfs/dbraw/zinc/28/72/21/571287221.db2.gz QHRVINKDFUZWCA-XMMPIXPASA-N 1 0 360.501 5.109 50 0 FKAARO CC(C)(C)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccncc2)cc1 ZINC000037523339 208180498 /nfs/dbraw/zinc/18/04/98/208180498.db2.gz DXMVCFLWFPBPOM-HSZRJFAPSA-N 1 0 359.517 5.176 50 0 FKAARO CC(C)(C)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccncc2)cc1 ZINC000037523340 571287288 /nfs/dbraw/zinc/28/72/88/571287288.db2.gz DXMVCFLWFPBPOM-QHCPKHFHSA-N 1 0 359.517 5.176 50 0 FKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)cc1 ZINC000037523541 208179462 /nfs/dbraw/zinc/17/94/62/208179462.db2.gz SJKYMBXATBPPQR-XMMPIXPASA-N 1 0 360.501 5.109 50 0 FKAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)cc1 ZINC000037523542 205027823 /nfs/dbraw/zinc/02/78/23/205027823.db2.gz SJKYMBXATBPPQR-DEOSSOPVSA-N 1 0 360.501 5.109 50 0 FKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(C)c(C)c1 ZINC000037523553 571287334 /nfs/dbraw/zinc/28/73/34/571287334.db2.gz BUBDNHDSMIXMFY-VWLOTQADSA-N 1 0 358.529 5.663 50 0 FKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(C)c(C)c1 ZINC000037523554 208179527 /nfs/dbraw/zinc/17/95/27/208179527.db2.gz BUBDNHDSMIXMFY-RUZDIDTESA-N 1 0 358.529 5.663 50 0 FKAARO Cc1ccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000037559813 208182209 /nfs/dbraw/zinc/18/22/09/208182209.db2.gz NMOSUSJCCZMKSR-UHFFFAOYSA-N 1 0 364.533 5.039 50 0 FKAARO CCCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000037560842 208183156 /nfs/dbraw/zinc/18/31/56/208183156.db2.gz CGKFVODENSCBGK-UHFFFAOYSA-N 1 0 364.533 5.101 50 0 FKAARO Cc1ccc(-c2nc3c4ccccc4ccn3c2C[NH+]2CCCCC2)cc1 ZINC000037868535 571322778 /nfs/dbraw/zinc/32/27/78/571322778.db2.gz QZVYGFRODQIGNJ-UHFFFAOYSA-N 1 0 355.485 5.449 50 0 FKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CC[C@H](C)CC(C)(C)C4)[C@H]3C=C12 ZINC000038140883 571358778 /nfs/dbraw/zinc/35/87/78/571358778.db2.gz PYBYTHWIXNGPQO-VKWILWGTSA-N 1 0 373.581 5.059 50 0 FKAARO Cc1ccc(/C=C2/CCCC3=C2[NH+]=C2N=CNN2[C@H]3c2ccc(C)cc2)cc1 ZINC000038189584 208201637 /nfs/dbraw/zinc/20/16/37/208201637.db2.gz CPCCYTXCYNMEGO-CBIIRDDDSA-N 1 0 368.484 5.084 50 0 FKAARO CCn1c2ccccc2c2cc([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)ccc21 ZINC000038330957 208202352 /nfs/dbraw/zinc/20/23/52/208202352.db2.gz ASSWMQPRKRHWSP-XMMPIXPASA-N 1 0 365.480 5.531 50 0 FKAARO CCn1c2ccccc2c2cc([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)ccc21 ZINC000038330958 208200576 /nfs/dbraw/zinc/20/05/76/208200576.db2.gz ASSWMQPRKRHWSP-DEOSSOPVSA-N 1 0 365.480 5.531 50 0 FKAARO CC[NH+](CC)CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000039369628 571000372 /nfs/dbraw/zinc/00/03/72/571000372.db2.gz NGXOVHNYDLBKOL-UHFFFAOYSA-N 1 0 352.503 5.443 50 0 FKAARO Clc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1Cl ZINC000039769777 205047940 /nfs/dbraw/zinc/04/79/40/205047940.db2.gz BEZVXVHCCOVMBX-UXHICEINSA-N 1 0 367.364 5.222 50 0 FKAARO Clc1cccc(Cl)c1CN1CC[N@@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000039769830 571089794 /nfs/dbraw/zinc/08/97/94/571089794.db2.gz SRUKOPZYMRZGLU-UXHICEINSA-N 1 0 367.364 5.222 50 0 FKAARO C[C@@H](c1nc2ccccc2n1Cc1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000039916906 205047359 /nfs/dbraw/zinc/04/73/59/205047359.db2.gz VQLQDVGVKIMPDN-AWEZNQCLSA-N 1 0 357.860 5.034 50 0 FKAARO C[C@H](c1nc2ccccc2n1Cc1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000039916907 571066214 /nfs/dbraw/zinc/06/62/14/571066214.db2.gz VQLQDVGVKIMPDN-CQSZACIVSA-N 1 0 357.860 5.034 50 0 FKAARO C[C@@H](c1nc2ccccc2n1CCCc1ccccc1)[NH+]1CCCCCC1 ZINC000039917297 205048216 /nfs/dbraw/zinc/04/82/16/205048216.db2.gz JAKZSFLGYABANO-FQEVSTJZSA-N 1 0 361.533 5.606 50 0 FKAARO C[C@H](c1nc2ccccc2n1CCCc1ccccc1)[NH+]1CCCCCC1 ZINC000039917298 208214342 /nfs/dbraw/zinc/21/43/42/208214342.db2.gz JAKZSFLGYABANO-HXUWFJFHSA-N 1 0 361.533 5.606 50 0 FKAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000039969205 205048037 /nfs/dbraw/zinc/04/80/37/205048037.db2.gz LMDATFXKKRNBAC-UHFFFAOYSA-N 1 0 356.897 5.357 50 0 FKAARO CC(C)c1cccc(C(C)C)c1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000040096315 571075817 /nfs/dbraw/zinc/07/58/17/571075817.db2.gz JHVMQIFUOGSMGJ-UHFFFAOYSA-N 1 0 367.537 5.317 50 0 FKAARO CC(C)c1cccc(C(C)C)c1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000040096368 571075945 /nfs/dbraw/zinc/07/59/45/571075945.db2.gz NWPIMHNHQLZIND-UHFFFAOYSA-N 1 0 359.558 5.364 50 0 FKAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2cc(-c3cccs3)cs2)cc1 ZINC000040120009 205056947 /nfs/dbraw/zinc/05/69/47/205056947.db2.gz QRXAVCQVIHIDBJ-UHFFFAOYSA-N 1 0 370.543 5.505 50 0 FKAARO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccc3ccccc32)c1 ZINC000040145456 208236413 /nfs/dbraw/zinc/23/64/13/208236413.db2.gz LMWUURFBESHLPB-UHFFFAOYSA-N 1 0 361.489 5.003 50 0 FKAARO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1cccs1 ZINC000040155744 208237824 /nfs/dbraw/zinc/23/78/24/208237824.db2.gz DCXVWZPCPFZXKQ-MRXNPFEDSA-N 1 0 371.333 5.370 50 0 FKAARO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1cccs1 ZINC000040155745 208237779 /nfs/dbraw/zinc/23/77/79/208237779.db2.gz DCXVWZPCPFZXKQ-INIZCTEOSA-N 1 0 371.333 5.370 50 0 FKAARO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc3ccccc3c2)c(C)c1 ZINC000040157335 571088142 /nfs/dbraw/zinc/08/81/42/571088142.db2.gz HENCQGHEXCXIDG-IBGZPJMESA-N 1 0 360.501 5.397 50 0 FKAARO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccc3ccccc3c2)c(C)c1 ZINC000040157336 571088122 /nfs/dbraw/zinc/08/81/22/571088122.db2.gz HENCQGHEXCXIDG-LJQANCHMSA-N 1 0 360.501 5.397 50 0 FKAARO CC(C)(C)[NH+](Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1 ZINC000040158668 571088544 /nfs/dbraw/zinc/08/85/44/571088544.db2.gz YKHPHKRSNUBIJD-UHFFFAOYSA-N 1 0 355.485 5.584 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000040721300 208264008 /nfs/dbraw/zinc/26/40/08/208264008.db2.gz YPFNGBOIJOTDAS-UHFFFAOYSA-N 1 0 363.354 5.437 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000040721304 571092816 /nfs/dbraw/zinc/09/28/16/571092816.db2.gz CHHCXYNBAVGXFX-UHFFFAOYSA-N 1 0 363.354 5.437 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000040721330 205077767 /nfs/dbraw/zinc/07/77/67/205077767.db2.gz CNFLPZNDXLKUCD-UHFFFAOYSA-N 1 0 353.428 6.270 50 0 FKAARO FC(F)(F)c1cccc(-c2ccc(C[NH2+]C3CCCCCCC3)o2)c1 ZINC000040721334 571092647 /nfs/dbraw/zinc/09/26/47/571092647.db2.gz XDUSVFZCWOEVQQ-UHFFFAOYSA-N 1 0 351.412 6.168 50 0 FKAARO COc1ccc(C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000040721336 205077902 /nfs/dbraw/zinc/07/79/02/205077902.db2.gz ZMSLOPLGLWQQDU-UHFFFAOYSA-N 1 0 361.363 5.264 50 0 FKAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccn2)cc1 ZINC000040722031 571092798 /nfs/dbraw/zinc/09/27/98/571092798.db2.gz GUELYJZCQBLNNG-UHFFFAOYSA-N 1 0 368.480 5.412 50 0 FKAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccncc2)cc1 ZINC000040722032 571092622 /nfs/dbraw/zinc/09/26/22/571092622.db2.gz APACSEUANOAQOY-UHFFFAOYSA-N 1 0 368.480 5.412 50 0 FKAARO Clc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCc1ccccc1 ZINC000040722048 571092822 /nfs/dbraw/zinc/09/28/22/571092822.db2.gz XWQONAZUGODSAF-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO Clc1ccccc1Cn1cc(C[NH2+]Cc2ccccn2)c2ccccc21 ZINC000040722049 205077334 /nfs/dbraw/zinc/07/73/34/205077334.db2.gz YFPBNPZDEHMPAA-UHFFFAOYSA-N 1 0 361.876 5.028 50 0 FKAARO Clc1ccccc1Cn1cc(C[NH2+]Cc2ccncc2)c2ccccc21 ZINC000040722050 208262668 /nfs/dbraw/zinc/26/26/68/208262668.db2.gz CVAKAQREHNSAED-UHFFFAOYSA-N 1 0 361.876 5.028 50 0 FKAARO CCCOc1ccc(C[NH2+]CCC2=CCCCC2)cc1Br ZINC000040722078 571092693 /nfs/dbraw/zinc/09/26/93/571092693.db2.gz WKWDKPWWXXFXSK-UHFFFAOYSA-N 1 0 352.316 5.218 50 0 FKAARO CCCOc1c(Cl)cc(C[NH2+]CCC2=CCCCC2)cc1OCC ZINC000040722089 571092803 /nfs/dbraw/zinc/09/28/03/571092803.db2.gz XNQACFIIXRBMFZ-UHFFFAOYSA-N 1 0 351.918 5.508 50 0 FKAARO COc1cc(Cl)cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1OC ZINC000040722101 571092678 /nfs/dbraw/zinc/09/26/78/571092678.db2.gz BINLYFWQVDUVMW-DELCKGKKSA-N 1 0 363.929 5.196 50 0 FKAARO CCCOc1c(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)cc1OC ZINC000040722166 220918195 /nfs/dbraw/zinc/91/81/95/220918195.db2.gz RZXIORXFFPCGQI-UHFFFAOYSA-N 1 0 363.929 5.196 50 0 FKAARO CCCOc1c(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)cc1OC ZINC000040722167 205077353 /nfs/dbraw/zinc/07/73/53/205077353.db2.gz LCONOXNSAPZDHQ-UHFFFAOYSA-N 1 0 363.929 5.052 50 0 FKAARO CCCOc1c(C[NH2+]CCc2ccc(Cl)cc2)cc(Cl)cc1OC ZINC000040722220 208264258 /nfs/dbraw/zinc/26/42/58/208264258.db2.gz FDLSLGUWUFQMJX-UHFFFAOYSA-N 1 0 368.304 5.123 50 0 FKAARO CCCOc1c(C[NH2+][C@@H](C)CCc2ccccc2)cc(Cl)cc1OC ZINC000040722227 208263700 /nfs/dbraw/zinc/26/37/00/208263700.db2.gz UHNRDENGIIFJGL-INIZCTEOSA-N 1 0 361.913 5.248 50 0 FKAARO CCCOc1c(C[NH2+][C@H](C)CCc2ccccc2)cc(Cl)cc1OC ZINC000040722228 208264145 /nfs/dbraw/zinc/26/41/45/208264145.db2.gz UHNRDENGIIFJGL-MRXNPFEDSA-N 1 0 361.913 5.248 50 0 FKAARO COc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1cccc(C)c1 ZINC000040722239 571092778 /nfs/dbraw/zinc/09/27/78/571092778.db2.gz DGFTVEWYAXQABF-IBGZPJMESA-N 1 0 361.485 5.433 50 0 FKAARO COc1cccc(C[NH2+][C@H](C)c2ccccc2)c1OCc1cccc(C)c1 ZINC000040722240 571092672 /nfs/dbraw/zinc/09/26/72/571092672.db2.gz DGFTVEWYAXQABF-LJQANCHMSA-N 1 0 361.485 5.433 50 0 FKAARO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCc1cccc(C)c1 ZINC000040722262 571092612 /nfs/dbraw/zinc/09/26/12/571092612.db2.gz USLDTBREZMIXGO-UHFFFAOYSA-N 1 0 365.448 5.012 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCCC2)c1OCc1cccc(C)c1 ZINC000040722267 571092869 /nfs/dbraw/zinc/09/28/69/571092869.db2.gz ZJVOAAFJQVCIMQ-UHFFFAOYSA-N 1 0 353.506 5.395 50 0 FKAARO COc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1cccc(C)c1 ZINC000040722269 571092832 /nfs/dbraw/zinc/09/28/32/571092832.db2.gz GUWFFPZSJGRTHN-UHFFFAOYSA-N 1 0 369.549 5.887 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCCCC2)c1OCc1cccc(C)c1 ZINC000040722270 208263826 /nfs/dbraw/zinc/26/38/26/208263826.db2.gz MQBDTBBDJFPIMI-UHFFFAOYSA-N 1 0 367.533 5.785 50 0 FKAARO COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1cccc(C)c1 ZINC000040722272 205078711 /nfs/dbraw/zinc/07/87/11/205078711.db2.gz UABNLLWAYPFTDS-UHFFFAOYSA-N 1 0 361.485 5.181 50 0 FKAARO COc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1cccc(C)c1 ZINC000040722285 205079059 /nfs/dbraw/zinc/07/90/59/205079059.db2.gz YPSUKGTVWNMACC-UHFFFAOYSA-N 1 0 365.517 5.563 50 0 FKAARO COc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccccc1C ZINC000040722299 208262683 /nfs/dbraw/zinc/26/26/83/208262683.db2.gz FRZDJYIOYYMYTC-IBGZPJMESA-N 1 0 361.485 5.433 50 0 FKAARO COc1cccc(C[NH2+][C@H](C)c2ccccc2)c1OCc1ccccc1C ZINC000040722300 571093252 /nfs/dbraw/zinc/09/32/52/571093252.db2.gz FRZDJYIOYYMYTC-LJQANCHMSA-N 1 0 361.485 5.433 50 0 FKAARO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCc1ccccc1C ZINC000040722322 571093256 /nfs/dbraw/zinc/09/32/56/571093256.db2.gz YEILHMGBKOCAPR-UHFFFAOYSA-N 1 0 365.448 5.012 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCCC2)c1OCc1ccccc1C ZINC000040722327 571093147 /nfs/dbraw/zinc/09/31/47/571093147.db2.gz RPYCQEUJZXAGHZ-UHFFFAOYSA-N 1 0 353.506 5.395 50 0 FKAARO COc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1ccccc1C ZINC000040722329 571093096 /nfs/dbraw/zinc/09/30/96/571093096.db2.gz HSLISTWOHNUQNT-UHFFFAOYSA-N 1 0 369.549 5.887 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCCCC2)c1OCc1ccccc1C ZINC000040722330 571093259 /nfs/dbraw/zinc/09/32/59/571093259.db2.gz JNYAVKWXZMAURS-UHFFFAOYSA-N 1 0 367.533 5.785 50 0 FKAARO COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccccc1C ZINC000040722332 571093120 /nfs/dbraw/zinc/09/31/20/571093120.db2.gz LUGALYBSBGKOCH-UHFFFAOYSA-N 1 0 361.485 5.181 50 0 FKAARO COc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1ccccc1C ZINC000040722345 205078213 /nfs/dbraw/zinc/07/82/13/205078213.db2.gz QMJKUMHXXAOMCP-UHFFFAOYSA-N 1 0 365.517 5.563 50 0 FKAARO CCCC[NH2+]Cc1cccc(OC)c1OCc1c(Cl)cccc1Cl ZINC000040722362 571093154 /nfs/dbraw/zinc/09/31/54/571093154.db2.gz SYAPBLSFXFOTSS-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO COc1cccc(C[NH2+]CC(C)C)c1OCc1c(Cl)cccc1Cl ZINC000040722378 571236419 /nfs/dbraw/zinc/23/64/19/571236419.db2.gz ZHOMFSMOVLNXOK-UHFFFAOYSA-N 1 0 368.304 5.327 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1OCc1c(Cl)cccc1Cl ZINC000040722379 208264037 /nfs/dbraw/zinc/26/40/37/208264037.db2.gz ZMGNWWVZYVYWJJ-CYBMUJFWSA-N 1 0 368.304 5.469 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cccc(OC)c1OCc1c(Cl)cccc1Cl ZINC000040722380 205079031 /nfs/dbraw/zinc/07/90/31/205079031.db2.gz ZMGNWWVZYVYWJJ-ZDUSSCGKSA-N 1 0 368.304 5.469 50 0 FKAARO COc1cccc(C[NH2+]C2CCCC2)c1OCc1c(F)cccc1Cl ZINC000040722429 571093166 /nfs/dbraw/zinc/09/31/66/571093166.db2.gz XFJBPYSVARCOCK-UHFFFAOYSA-N 1 0 363.860 5.099 50 0 FKAARO CCCCC[NH2+]Cc1cccc(OC)c1OCc1c(F)cccc1Cl ZINC000040722441 571093131 /nfs/dbraw/zinc/09/31/31/571093131.db2.gz OOKGZTHJOGFRJO-UHFFFAOYSA-N 1 0 365.876 5.347 50 0 FKAARO COc1cccc(C[NH2+]CCC(C)C)c1OCc1c(F)cccc1Cl ZINC000040722478 571093246 /nfs/dbraw/zinc/09/32/46/571093246.db2.gz UDOLOESTEJDPCP-UHFFFAOYSA-N 1 0 365.876 5.202 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cccc(OC)c1OCc1c(F)cccc1Cl ZINC000040722479 208263818 /nfs/dbraw/zinc/26/38/18/208263818.db2.gz ZIFWLGVYVVOSQT-UHFFFAOYSA-N 1 0 365.876 5.345 50 0 FKAARO CCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040722494 208263713 /nfs/dbraw/zinc/26/37/13/208263713.db2.gz OLJZGOCXPPCJIS-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO COc1cccc(C[NH2+]CC(C)C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040722510 571236288 /nfs/dbraw/zinc/23/62/88/571236288.db2.gz BGZYYZPRNZDVJS-UHFFFAOYSA-N 1 0 368.304 5.327 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040722511 571093086 /nfs/dbraw/zinc/09/30/86/571093086.db2.gz CMXUKFJLWSGFEJ-CYBMUJFWSA-N 1 0 368.304 5.469 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040722512 205079335 /nfs/dbraw/zinc/07/93/35/205079335.db2.gz CMXUKFJLWSGFEJ-ZDUSSCGKSA-N 1 0 368.304 5.469 50 0 FKAARO COc1cccc(C[NH2+]Cc2ccccc2)c1OCc1cccc(Cl)c1 ZINC000040722550 220917454 /nfs/dbraw/zinc/91/74/54/220917454.db2.gz KNNJGLFKHCPXET-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCC2)c1OCc1cccc(Cl)c1 ZINC000040722551 205078237 /nfs/dbraw/zinc/07/82/37/205078237.db2.gz UPWGXUUPMGDRKY-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO COc1cccc(C[NH2+]Cc2cccs2)c1OCc1cccc(Cl)c1 ZINC000040722568 571093232 /nfs/dbraw/zinc/09/32/32/571093232.db2.gz NVQOBGKNEUMLSV-UHFFFAOYSA-N 1 0 373.905 5.279 50 0 FKAARO CCCCCC[NH2+]Cc1cccc(OC)c1OCc1cccc(Cl)c1 ZINC000040722573 205078419 /nfs/dbraw/zinc/07/84/19/205078419.db2.gz UOBRDWSWHPKFNJ-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO COc1cccc(C[NH2+]C2CCCCCC2)c1OCc1cccc(Cl)c1 ZINC000040722589 571093250 /nfs/dbraw/zinc/09/32/50/571093250.db2.gz ZOHIMYVDBBMUKK-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO Cc1cccc(COc2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000040722617 571093219 /nfs/dbraw/zinc/09/32/19/571093219.db2.gz WOLMHTVFWIHLHM-UHFFFAOYSA-N 1 0 361.529 5.632 50 0 FKAARO Cc1cccc(COc2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)cc2)c1 ZINC000040722618 208264173 /nfs/dbraw/zinc/26/41/73/208264173.db2.gz KDTDUOLIXHQRMO-UHFFFAOYSA-N 1 0 361.529 5.488 50 0 FKAARO Cc1cccc(COc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)c1 ZINC000040722623 571093168 /nfs/dbraw/zinc/09/31/68/571093168.db2.gz NTENJELZGLCSBW-UHFFFAOYSA-N 1 0 351.877 5.517 50 0 FKAARO Cc1cccc(COc2ccc(C[NH2+]CCc3c[nH]c4ccccc34)cc2)c1 ZINC000040722647 208262853 /nfs/dbraw/zinc/26/28/53/208262853.db2.gz OVQMCSJTJBMHJF-UHFFFAOYSA-N 1 0 370.496 5.388 50 0 FKAARO Cc1cccc(COc2ccc(C[NH2+]CCc3ccc(Cl)cc3)cc2)c1 ZINC000040722661 208266672 /nfs/dbraw/zinc/26/66/72/208266672.db2.gz WSIBNTVLQHPQHB-UHFFFAOYSA-N 1 0 365.904 5.560 50 0 FKAARO Cc1cccc(COc2ccc(C[NH2+][C@@H](C)CCc3ccccc3)cc2)c1 ZINC000040722668 205078726 /nfs/dbraw/zinc/07/87/26/205078726.db2.gz SSPZSUFWTIPQTH-NRFANRHFSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1cccc(COc2ccc(C[NH2+][C@H](C)CCc3ccccc3)cc2)c1 ZINC000040722669 208266508 /nfs/dbraw/zinc/26/65/08/208266508.db2.gz SSPZSUFWTIPQTH-OAQYLSRUSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1ccccc1COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000040722674 571093260 /nfs/dbraw/zinc/09/32/60/571093260.db2.gz SATYHQRGARPOTA-UHFFFAOYSA-N 1 0 361.529 5.632 50 0 FKAARO Cc1ccccc1COc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000040722675 208266885 /nfs/dbraw/zinc/26/68/85/208266885.db2.gz CMIHXFKLFUDAGG-UHFFFAOYSA-N 1 0 361.529 5.488 50 0 FKAARO Cc1ccccc1COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000040722680 205078891 /nfs/dbraw/zinc/07/88/91/205078891.db2.gz BJRBUONEGUEXFQ-UHFFFAOYSA-N 1 0 351.877 5.517 50 0 FKAARO Cc1ccccc1COc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000040722704 571093215 /nfs/dbraw/zinc/09/32/15/571093215.db2.gz XSTDHHRZRGXIQB-UHFFFAOYSA-N 1 0 370.496 5.388 50 0 FKAARO Cc1ccccc1COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000040722718 205078428 /nfs/dbraw/zinc/07/84/28/205078428.db2.gz QTVWSUCENBGOOT-UHFFFAOYSA-N 1 0 365.904 5.560 50 0 FKAARO Cc1ccccc1COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000040722725 208265010 /nfs/dbraw/zinc/26/50/10/208265010.db2.gz GPFTZQNZARMPLG-NRFANRHFSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1ccccc1COc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000040722726 208266517 /nfs/dbraw/zinc/26/65/17/208266517.db2.gz GPFTZQNZARMPLG-OAQYLSRUSA-N 1 0 359.513 5.685 50 0 FKAARO Clc1cccc(Cl)c1COc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000040722729 208266323 /nfs/dbraw/zinc/26/63/23/208266323.db2.gz BMYOSBSXTIRJNG-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1cccc(Cl)c1COc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000040722730 205079295 /nfs/dbraw/zinc/07/92/95/205079295.db2.gz NSIZGQLRWJWOLM-UHFFFAOYSA-N 1 0 364.316 5.995 50 0 FKAARO Clc1cccc(Cl)c1COc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000040722739 571093184 /nfs/dbraw/zinc/09/31/84/571093184.db2.gz IPAKVMYKJYIORF-UHFFFAOYSA-N 1 0 350.289 5.605 50 0 FKAARO Clc1cccc(Cl)c1COc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000040722742 571093179 /nfs/dbraw/zinc/09/31/79/571093179.db2.gz UITFYDMFRRVXTJ-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO CCOCCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722749 208265845 /nfs/dbraw/zinc/26/58/45/208265845.db2.gz OZVVPCRCRFJVFN-UHFFFAOYSA-N 1 0 368.304 5.089 50 0 FKAARO CCCCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722751 571093176 /nfs/dbraw/zinc/09/31/76/571093176.db2.gz DFXNCDCKSWBNLT-UHFFFAOYSA-N 1 0 352.305 5.852 50 0 FKAARO CCCCCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722752 571093224 /nfs/dbraw/zinc/09/32/24/571093224.db2.gz RJKDGUREDKBREL-UHFFFAOYSA-N 1 0 366.332 6.242 50 0 FKAARO Clc1cccc(Cl)c1COc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000040722772 571093126 /nfs/dbraw/zinc/09/31/26/571093126.db2.gz BQYRMOKUBASDHF-UHFFFAOYSA-N 1 0 362.256 5.455 50 0 FKAARO Clc1cccc(Cl)c1COc1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000040722778 571093172 /nfs/dbraw/zinc/09/31/72/571093172.db2.gz ZEHMUBMWOOAEBZ-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO Clc1cccc(Cl)c1COc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000040722779 571093199 /nfs/dbraw/zinc/09/31/99/571093199.db2.gz ZIPJTLBXFMPHQC-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO CC(C)CC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722788 208265654 /nfs/dbraw/zinc/26/56/54/208265654.db2.gz LPVVSNBBHPQRKC-UHFFFAOYSA-N 1 0 352.305 5.708 50 0 FKAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722789 205078797 /nfs/dbraw/zinc/07/87/97/205078797.db2.gz JVCXXZXVUAAAHD-UHFFFAOYSA-N 1 0 352.305 5.851 50 0 FKAARO Fc1ccc(COc2ccc(C[NH2+]Cc3ccccc3)cc2)c(Cl)c1 ZINC000040722793 208265242 /nfs/dbraw/zinc/26/52/42/208265242.db2.gz YSHGHTDHGZJZKY-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO C[C@H]([NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1)c1ccccc1 ZINC000040722801 208266286 /nfs/dbraw/zinc/26/62/86/208266286.db2.gz FGAMAYVWKIKLKX-INIZCTEOSA-N 1 0 369.867 5.909 50 0 FKAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1)c1ccccc1 ZINC000040722802 571093187 /nfs/dbraw/zinc/09/31/87/571093187.db2.gz FGAMAYVWKIKLKX-MRXNPFEDSA-N 1 0 369.867 5.909 50 0 FKAARO Fc1ccc(COc2ccc(C[NH2+]CCc3ccccc3)cc2)c(Cl)c1 ZINC000040722806 205078287 /nfs/dbraw/zinc/07/82/87/205078287.db2.gz YAQHXMZZTBEWAV-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(COc2ccc(C[NH2+]Cc3cccs3)cc2)c(Cl)c1 ZINC000040722812 571093061 /nfs/dbraw/zinc/09/30/61/571093061.db2.gz QIFZZRVCQKGGLS-UHFFFAOYSA-N 1 0 361.869 5.409 50 0 FKAARO Fc1ccc(C[NH2+]Cc2ccc(OCc3ccc(F)cc3Cl)cc2)cc1 ZINC000040722827 571093210 /nfs/dbraw/zinc/09/32/10/571093210.db2.gz KHKZDBKXULTYJP-UHFFFAOYSA-N 1 0 373.830 5.487 50 0 FKAARO Fc1ccc(COc2ccc(C[NH2+]C3CCCCCC3)cc2)c(Cl)c1 ZINC000040722832 208264945 /nfs/dbraw/zinc/26/49/45/208264945.db2.gz LMMVTCJJYGVJFV-UHFFFAOYSA-N 1 0 361.888 5.871 50 0 FKAARO Cc1ccc(C[NH2+]Cc2ccc(OCc3ccc(F)cc3Cl)cc2)cc1 ZINC000040722837 571093077 /nfs/dbraw/zinc/09/30/77/571093077.db2.gz JALHFPFUPHYEDA-UHFFFAOYSA-N 1 0 369.867 5.656 50 0 FKAARO Fc1ccc(COc2ccc(C[NH2+]CCC3=CCCCC3)cc2)c(Cl)c1 ZINC000040722850 205078650 /nfs/dbraw/zinc/07/86/50/205078650.db2.gz KWQXVRUDMCUBTJ-UHFFFAOYSA-N 1 0 373.899 6.038 50 0 FKAARO Fc1cccc(Cl)c1COc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000040722857 571093527 /nfs/dbraw/zinc/09/35/27/571093527.db2.gz FEXXUHUOSSDNSX-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO C[C@H]([NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1)c1ccccc1 ZINC000040722864 205078091 /nfs/dbraw/zinc/07/80/91/205078091.db2.gz ULUMXJJBKLXYLT-INIZCTEOSA-N 1 0 369.867 5.909 50 0 FKAARO C[C@@H]([NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1)c1ccccc1 ZINC000040722865 205079181 /nfs/dbraw/zinc/07/91/81/205079181.db2.gz ULUMXJJBKLXYLT-MRXNPFEDSA-N 1 0 369.867 5.909 50 0 FKAARO Fc1cccc(Cl)c1COc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000040722869 571093576 /nfs/dbraw/zinc/09/35/76/571093576.db2.gz CKPQNXHSZXWHQN-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1cccc(Cl)c1COc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000040722875 205078522 /nfs/dbraw/zinc/07/85/22/205078522.db2.gz CVTRKRIYWDERSB-UHFFFAOYSA-N 1 0 361.869 5.409 50 0 FKAARO Fc1ccc(C[NH2+]Cc2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000040722889 571093599 /nfs/dbraw/zinc/09/35/99/571093599.db2.gz MDVURLGKWDLBIX-UHFFFAOYSA-N 1 0 373.830 5.487 50 0 FKAARO Fc1cccc(Cl)c1COc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000040722894 205078499 /nfs/dbraw/zinc/07/84/99/205078499.db2.gz HIGNWQAXKMCDRK-UHFFFAOYSA-N 1 0 361.888 5.871 50 0 FKAARO Cc1ccc(C[NH2+]Cc2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000040722899 208265851 /nfs/dbraw/zinc/26/58/51/208265851.db2.gz IYOLKLLYRGWEID-UHFFFAOYSA-N 1 0 369.867 5.656 50 0 FKAARO Fc1cccc(Cl)c1COc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000040722912 571093610 /nfs/dbraw/zinc/09/36/10/571093610.db2.gz BMWIZIYUQVPHMW-UHFFFAOYSA-N 1 0 373.899 6.038 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccccc3)cc2)cc1Cl ZINC000040722919 571093513 /nfs/dbraw/zinc/09/35/13/571093513.db2.gz SFWWQBFOAWZOLN-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]C3CCCCC3)cc2)cc1Cl ZINC000040722920 211754689 /nfs/dbraw/zinc/75/46/89/211754689.db2.gz HCAWIGCIQSGYFE-UHFFFAOYSA-N 1 0 364.316 5.995 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]C3CCCC3)cc2)cc1Cl ZINC000040722929 208265634 /nfs/dbraw/zinc/26/56/34/208265634.db2.gz UBKDAZCNQXJCOD-UHFFFAOYSA-N 1 0 350.289 5.605 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3cccnc3)cc2)cc1Cl ZINC000040722932 571093595 /nfs/dbraw/zinc/09/35/95/571093595.db2.gz ZURKCSFKVBUSJC-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO CCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040722939 208265402 /nfs/dbraw/zinc/26/54/02/208265402.db2.gz LVTMEENUMKOQSI-UHFFFAOYSA-N 1 0 368.304 5.089 50 0 FKAARO CCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040722941 205078661 /nfs/dbraw/zinc/07/86/61/205078661.db2.gz NOIHBDUVDHWOKQ-UHFFFAOYSA-N 1 0 352.305 5.852 50 0 FKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040722942 208266717 /nfs/dbraw/zinc/26/67/17/208266717.db2.gz CDQRTKXYLZUMQH-UHFFFAOYSA-N 1 0 366.332 6.242 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccco3)cc2)cc1Cl ZINC000040727983 205078811 /nfs/dbraw/zinc/07/88/11/205078811.db2.gz CQYKRROAKZDNCI-UHFFFAOYSA-N 1 0 362.256 5.455 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccccn3)cc2)cc1Cl ZINC000040728008 208266707 /nfs/dbraw/zinc/26/67/07/208266707.db2.gz GYSCZFLSAWFAML-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccncc3)cc2)cc1Cl ZINC000040728013 205078170 /nfs/dbraw/zinc/07/81/70/205078170.db2.gz MCDSMHOZHGTUPZ-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO CC(C)CC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040728053 571093634 /nfs/dbraw/zinc/09/36/34/571093634.db2.gz CYJBSZKQKKSQJS-UHFFFAOYSA-N 1 0 352.305 5.708 50 0 FKAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040728057 205078895 /nfs/dbraw/zinc/07/88/95/205078895.db2.gz GYTMOFUDSQVCNF-UHFFFAOYSA-N 1 0 352.305 5.851 50 0 FKAARO C[C@H]([NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1 ZINC000040728102 205078117 /nfs/dbraw/zinc/07/81/17/205078117.db2.gz YHGARCSKNOWQHW-KRWDZBQOSA-N 1 0 351.877 5.770 50 0 FKAARO C[C@@H]([NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1 ZINC000040728105 205078771 /nfs/dbraw/zinc/07/87/71/205078771.db2.gz YHGARCSKNOWQHW-QGZVFWFLSA-N 1 0 351.877 5.770 50 0 FKAARO Clc1cccc(COc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)c1 ZINC000040728111 571093620 /nfs/dbraw/zinc/09/36/20/571093620.db2.gz ZNEVZTWYRRYRTQ-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1cccc(COc2ccc(C[NH2+]CCc3ccccc3)cc2)c1 ZINC000040728113 205079144 /nfs/dbraw/zinc/07/91/44/205079144.db2.gz BCNRBCXLQPUABL-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000040728156 571093553 /nfs/dbraw/zinc/09/35/53/571093553.db2.gz PRCUHZRJFZDWGC-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2ccc(OCc3cccc(Cl)c3)cc2)cc1 ZINC000040728159 205079353 /nfs/dbraw/zinc/07/93/53/205079353.db2.gz NVILVNUISFXSJR-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(C[NH2+]Cc2ccc(OCc3cccc(Cl)c3)cc2)cc1 ZINC000040728165 220917911 /nfs/dbraw/zinc/91/79/11/220917911.db2.gz ILJUYECQKMNPDD-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000040728182 571093647 /nfs/dbraw/zinc/09/36/47/571093647.db2.gz YUQIAPPARYTWMF-UHFFFAOYSA-N 1 0 359.941 6.223 50 0 FKAARO Clc1cccc(COc2ccc(C[NH2+]C3CCCCCCC3)cc2)c1 ZINC000040728185 205079223 /nfs/dbraw/zinc/07/92/23/205079223.db2.gz MFXNKRAWTBZYOU-UHFFFAOYSA-N 1 0 357.925 6.122 50 0 FKAARO Cc1ccc(C[NH2+]Cc2ccc(OCc3cccc(Cl)c3)cc2)cc1 ZINC000040728191 571093590 /nfs/dbraw/zinc/09/35/90/571093590.db2.gz FYIDWVFYWVIDOY-UHFFFAOYSA-N 1 0 351.877 5.517 50 0 FKAARO COc1ccc(C[NH2+]Cc2ccc(OCc3cccc(Cl)c3)cc2)cc1 ZINC000040728194 208266444 /nfs/dbraw/zinc/26/64/44/208266444.db2.gz RCGKAJSZISQSBN-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO CCCCOCCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000040728212 571093540 /nfs/dbraw/zinc/09/35/40/571093540.db2.gz KIJGWBTVOKXMOO-UHFFFAOYSA-N 1 0 361.913 5.215 50 0 FKAARO COc1ccccc1C[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000040728215 571093617 /nfs/dbraw/zinc/09/36/17/571093617.db2.gz CQNWSKJYJDHDPC-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO Clc1cccc(COc2ccc(C[NH2+]CCC3=CCCCC3)cc2)c1 ZINC000040728235 571093586 /nfs/dbraw/zinc/09/35/86/571093586.db2.gz KNFUQILHGDZUJJ-UHFFFAOYSA-N 1 0 355.909 5.899 50 0 FKAARO COc1cc(Cl)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OC(C)C ZINC000040728264 205078207 /nfs/dbraw/zinc/07/82/07/205078207.db2.gz KNKDFSFUBBVDID-UHFFFAOYSA-N 1 0 363.929 5.194 50 0 FKAARO COc1cc(Cl)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OC(C)C ZINC000040728267 571093609 /nfs/dbraw/zinc/09/36/09/571093609.db2.gz GAVOLFSLWKYBIS-UHFFFAOYSA-N 1 0 363.929 5.050 50 0 FKAARO COc1cc(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2)c1OC(C)C ZINC000040728407 208266065 /nfs/dbraw/zinc/26/60/65/208266065.db2.gz XALWAZNZBGPHSF-UHFFFAOYSA-N 1 0 368.304 5.122 50 0 FKAARO COc1cc(Cl)cc(C[NH2+][C@@H](C)CCc2ccccc2)c1OC(C)C ZINC000040728428 205078639 /nfs/dbraw/zinc/07/86/39/205078639.db2.gz UJSAJAWCPNCQEX-INIZCTEOSA-N 1 0 361.913 5.247 50 0 FKAARO COc1cc(Cl)cc(C[NH2+][C@H](C)CCc2ccccc2)c1OC(C)C ZINC000040728431 571093572 /nfs/dbraw/zinc/09/35/72/571093572.db2.gz UJSAJAWCPNCQEX-MRXNPFEDSA-N 1 0 361.913 5.247 50 0 FKAARO COc1cc(Br)cc(C[NH2+]C2CCCCCC2)c1OC(C)C ZINC000040728565 571093570 /nfs/dbraw/zinc/09/35/70/571093570.db2.gz MSTWDNWYTGPOJC-UHFFFAOYSA-N 1 0 370.331 5.057 50 0 FKAARO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OC(C)C ZINC000040728654 571093563 /nfs/dbraw/zinc/09/35/63/571093563.db2.gz XEBJAJYOPWCUMI-ZPKAHVHTSA-N 1 0 371.565 5.711 50 0 FKAARO COc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OC(C)C ZINC000040728916 571093660 /nfs/dbraw/zinc/09/36/60/571093660.db2.gz YSRABLAHPMRDED-UHFFFAOYSA-N 1 0 370.331 5.057 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OC(C)C ZINC000040728987 220918189 /nfs/dbraw/zinc/91/81/89/220918189.db2.gz JZQQVZTVJSJVJV-UHFFFAOYSA-N 1 0 370.331 5.057 50 0 FKAARO CCCCCC[NH2+]Cc1cc(Br)c(OC(C)C)c(OCC)c1 ZINC000040729043 211754752 /nfs/dbraw/zinc/75/47/52/211754752.db2.gz UFHIIZPNTLMJNX-UHFFFAOYSA-N 1 0 372.347 5.305 50 0 FKAARO CCOc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OC(C)C ZINC000040729190 571094065 /nfs/dbraw/zinc/09/40/65/571094065.db2.gz JXKHJVXTNRGZPT-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OC(C)C ZINC000040729268 220918094 /nfs/dbraw/zinc/91/80/94/220918094.db2.gz VFPCKPNOAZJGEQ-UHFFFAOYSA-N 1 0 355.950 5.830 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OC(C)C ZINC000040729271 571093986 /nfs/dbraw/zinc/09/39/86/571093986.db2.gz KDLVTSDREUARNE-UHFFFAOYSA-N 1 0 353.934 5.728 50 0 FKAARO CCOc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OC(C)C ZINC000040729317 571093956 /nfs/dbraw/zinc/09/39/56/571093956.db2.gz BWADEEUGWKVIPH-UHFFFAOYSA-N 1 0 351.918 5.506 50 0 FKAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC(C)C ZINC000040729346 208265316 /nfs/dbraw/zinc/26/53/16/208265316.db2.gz HJAVDPLOSXPKTA-UHFFFAOYSA-N 1 0 363.929 5.194 50 0 FKAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OC(C)C ZINC000040729349 208266418 /nfs/dbraw/zinc/26/64/18/208266418.db2.gz ISPMTRXILZIDHM-UHFFFAOYSA-N 1 0 363.929 5.050 50 0 FKAARO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OC(C)C ZINC000040729365 571093888 /nfs/dbraw/zinc/09/38/88/571093888.db2.gz KRLNCLLLIGHYDX-UHFFFAOYSA-N 1 0 354.277 5.079 50 0 FKAARO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(Cl)c1OC(C)C ZINC000040729462 571093913 /nfs/dbraw/zinc/09/39/13/571093913.db2.gz GROIWRSPILRTMZ-UHFFFAOYSA-N 1 0 368.304 5.122 50 0 FKAARO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)cc(Cl)c1OC(C)C ZINC000040729481 208265342 /nfs/dbraw/zinc/26/53/42/208265342.db2.gz XRDUIJGEFZYEBG-INIZCTEOSA-N 1 0 361.913 5.247 50 0 FKAARO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)cc(Cl)c1OC(C)C ZINC000040729484 208264750 /nfs/dbraw/zinc/26/47/50/208264750.db2.gz XRDUIJGEFZYEBG-MRXNPFEDSA-N 1 0 361.913 5.247 50 0 FKAARO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1OC(C)C ZINC000040729499 571093890 /nfs/dbraw/zinc/09/38/90/571093890.db2.gz MDGPGHYURXGTPA-FKANHJMESA-N 1 0 357.538 5.321 50 0 FKAARO COc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)ccc1OC(C)C ZINC000040729550 571236754 /nfs/dbraw/zinc/23/67/54/571236754.db2.gz VHBILCPQJXPWLM-UHFFFAOYSA-N 1 0 368.304 5.122 50 0 FKAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000040729672 205079134 /nfs/dbraw/zinc/07/91/34/205079134.db2.gz OZVCEFWUNBASMY-UHFFFAOYSA-N 1 0 358.485 5.441 50 0 FKAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]CCc1ccc(Cl)cc1 ZINC000040729714 205078982 /nfs/dbraw/zinc/07/89/82/205078982.db2.gz IFCFQLDJJMTBDK-UHFFFAOYSA-N 1 0 353.893 5.613 50 0 FKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000040729754 205079004 /nfs/dbraw/zinc/07/90/04/205079004.db2.gz RHKAHLRLHCBGBW-UHFFFAOYSA-N 1 0 368.348 5.839 50 0 FKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000040729757 205079172 /nfs/dbraw/zinc/07/91/72/205079172.db2.gz APHXKNYNHPQGKZ-UHFFFAOYSA-N 1 0 368.348 5.695 50 0 FKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccccc1F ZINC000040729830 571093989 /nfs/dbraw/zinc/09/39/89/571093989.db2.gz GVHSILGUWQYSCH-UHFFFAOYSA-N 1 0 356.268 5.252 50 0 FKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000040729833 571093925 /nfs/dbraw/zinc/09/39/25/571093925.db2.gz UCMNXFFUZCBUQD-UHFFFAOYSA-N 1 0 356.268 5.252 50 0 FKAARO COc1ccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2OC(C)C)cc1 ZINC000040729836 205079107 /nfs/dbraw/zinc/07/91/07/205079107.db2.gz WLJLWIBRKFCISG-UHFFFAOYSA-N 1 0 368.304 5.122 50 0 FKAARO COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC(C)C)cc1 ZINC000040729871 208265465 /nfs/dbraw/zinc/26/54/65/208265465.db2.gz MVRNNCKJGSXXNY-UHFFFAOYSA-N 1 0 354.277 5.079 50 0 FKAARO COc1ccccc1CC[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C ZINC000040729884 205078655 /nfs/dbraw/zinc/07/86/55/205078655.db2.gz KLQBZHBVZYUAON-UHFFFAOYSA-N 1 0 368.304 5.122 50 0 FKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000040729892 571094050 /nfs/dbraw/zinc/09/40/50/571094050.db2.gz GUKXRMDGPLBLOK-UHFFFAOYSA-N 1 0 372.723 5.766 50 0 FKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000040729912 205078595 /nfs/dbraw/zinc/07/85/95/205078595.db2.gz MIGWGMVYDGWOLG-HNNXBMFYSA-N 1 0 366.332 5.892 50 0 FKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000040729915 571093998 /nfs/dbraw/zinc/09/39/98/571093998.db2.gz MIGWGMVYDGWOLG-OAHLLOKOSA-N 1 0 366.332 5.892 50 0 FKAARO CC(C)Oc1ccc(Br)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000040730208 211755782 /nfs/dbraw/zinc/75/57/82/211755782.db2.gz XEYXXMRQUWWWMM-UHFFFAOYSA-N 1 0 356.348 5.541 50 0 FKAARO CC(C)Oc1ccc(Br)cc1C[NH2+]C1CCCCCCC1 ZINC000040730210 571093972 /nfs/dbraw/zinc/09/39/72/571093972.db2.gz SJPXXILBSUAELG-UHFFFAOYSA-N 1 0 354.332 5.439 50 0 FKAARO CC(C)Oc1ccc(Br)cc1C[NH2+]CCC1=CCCCC1 ZINC000040730255 571094085 /nfs/dbraw/zinc/09/40/85/571094085.db2.gz RTVFXLMIVSMWFN-UHFFFAOYSA-N 1 0 352.316 5.216 50 0 FKAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000040730290 571094031 /nfs/dbraw/zinc/09/40/31/571094031.db2.gz RUXSMLGSCZKQHE-NJMHRBNOSA-N 1 0 361.957 5.966 50 0 FKAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000040730431 205078629 /nfs/dbraw/zinc/07/86/29/205078629.db2.gz SQYWLJFSJKJGBL-UHFFFAOYSA-N 1 0 372.723 5.766 50 0 FKAARO CC(C)Oc1c(Cl)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000040730640 208266782 /nfs/dbraw/zinc/26/67/82/208266782.db2.gz ONORTCLHIPWQDL-UHFFFAOYSA-N 1 0 368.348 5.839 50 0 FKAARO CC(C)Oc1c(Cl)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1Cl ZINC000040730643 220918153 /nfs/dbraw/zinc/91/81/53/220918153.db2.gz FOZWTCFDFVRFQR-UHFFFAOYSA-N 1 0 368.348 5.695 50 0 FKAARO CC(C)Oc1c(Cl)cc(C[NH2+]Cc2ccccc2Cl)cc1Cl ZINC000040730664 208265659 /nfs/dbraw/zinc/26/56/59/208265659.db2.gz QOEPEYCKKWSAOK-UHFFFAOYSA-N 1 0 358.696 5.724 50 0 FKAARO CC(C)Oc1c(Cl)cc(C[NH2+]CCc2ccccc2F)cc1Cl ZINC000040730723 571093909 /nfs/dbraw/zinc/09/39/09/571093909.db2.gz UIBYAOWLNXWJQH-UHFFFAOYSA-N 1 0 356.268 5.252 50 0 FKAARO CC(C)Oc1c(Cl)cc(C[NH2+]CCc2ccc(F)cc2)cc1Cl ZINC000040730726 205078890 /nfs/dbraw/zinc/07/88/90/205078890.db2.gz RCMOSMJYOXKHRK-UHFFFAOYSA-N 1 0 356.268 5.252 50 0 FKAARO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OC(C)C)c(Cl)c2)cc1 ZINC000040730729 571093994 /nfs/dbraw/zinc/09/39/94/571093994.db2.gz BXYKCIUDCXUXRN-UHFFFAOYSA-N 1 0 368.304 5.122 50 0 FKAARO COc1ccc(C[NH2+]Cc2cc(Cl)c(OC(C)C)c(Cl)c2)cc1 ZINC000040730757 571093891 /nfs/dbraw/zinc/09/38/91/571093891.db2.gz PWEIEWYAEMPSRX-UHFFFAOYSA-N 1 0 354.277 5.079 50 0 FKAARO COc1ccccc1CC[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000040730774 571093911 /nfs/dbraw/zinc/09/39/11/571093911.db2.gz BPNDMXSKZZOUQN-UHFFFAOYSA-N 1 0 368.304 5.122 50 0 FKAARO COc1ccccc1C[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000040730779 571093977 /nfs/dbraw/zinc/09/39/77/571093977.db2.gz DZBUVRGXCOHRAB-UHFFFAOYSA-N 1 0 354.277 5.079 50 0 FKAARO CC(C)Oc1c(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2)cc1Cl ZINC000040730782 571093928 /nfs/dbraw/zinc/09/39/28/571093928.db2.gz CTMVSOUKKUAZKW-UHFFFAOYSA-N 1 0 372.723 5.766 50 0 FKAARO CC(C)Oc1c(Cl)cc(C[NH2+][C@@H](C)CCc2ccccc2)cc1Cl ZINC000040730803 571093974 /nfs/dbraw/zinc/09/39/74/571093974.db2.gz SYFFPOITXCDQKK-HNNXBMFYSA-N 1 0 366.332 5.892 50 0 FKAARO CC(C)Oc1c(Cl)cc(C[NH2+][C@H](C)CCc2ccccc2)cc1Cl ZINC000040730806 205078253 /nfs/dbraw/zinc/07/82/53/205078253.db2.gz SYFFPOITXCDQKK-OAHLLOKOSA-N 1 0 366.332 5.892 50 0 FKAARO CC(C)Oc1ccc(C[NH2+]Cc2ccccc2Cl)cc1Br ZINC000040730850 571093895 /nfs/dbraw/zinc/09/38/95/571093895.db2.gz LXZLSFAXHIGNMJ-UHFFFAOYSA-N 1 0 368.702 5.180 50 0 FKAARO CC(C)Oc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1Br ZINC000040730943 205078223 /nfs/dbraw/zinc/07/82/23/205078223.db2.gz HBXXLUKVQWURBF-UHFFFAOYSA-N 1 0 356.348 5.541 50 0 FKAARO CC(C)Oc1ccc(C[NH2+]C2CCCCCCC2)cc1Br ZINC000040730946 211755153 /nfs/dbraw/zinc/75/51/53/211755153.db2.gz WXMOYINJJUPPGD-UHFFFAOYSA-N 1 0 354.332 5.439 50 0 FKAARO CC(C)Oc1ccc(C[NH2+]CCC2=CCCCC2)cc1Br ZINC000040730993 571093964 /nfs/dbraw/zinc/09/39/64/571093964.db2.gz FMCRKKCYKDQHNP-UHFFFAOYSA-N 1 0 352.316 5.216 50 0 FKAARO CC(C)Oc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1Cl ZINC000040731028 571093983 /nfs/dbraw/zinc/09/39/83/571093983.db2.gz HOEALHXCAJGPGH-QFWMWPAFSA-N 1 0 361.957 5.966 50 0 FKAARO CC(C)Oc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1Cl ZINC000040731181 205078792 /nfs/dbraw/zinc/07/87/92/205078792.db2.gz KBLSABJEWLQPIP-UHFFFAOYSA-N 1 0 372.723 5.766 50 0 FKAARO Cc1cccc(COc2ccccc2C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000040731363 208265593 /nfs/dbraw/zinc/26/55/93/208265593.db2.gz CNBCUWYDHHMZRF-UHFFFAOYSA-N 1 0 361.529 5.632 50 0 FKAARO Cc1cccc(COc2ccccc2C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000040731366 571094003 /nfs/dbraw/zinc/09/40/03/571094003.db2.gz GBMRNAYODFGREJ-UHFFFAOYSA-N 1 0 361.529 5.488 50 0 FKAARO Cc1cccc(COc2ccccc2C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000040731453 571093934 /nfs/dbraw/zinc/09/39/34/571093934.db2.gz KPIULLXUWAPSLE-UHFFFAOYSA-N 1 0 370.496 5.388 50 0 FKAARO Cc1cccc(COc2ccccc2C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000040731504 571093907 /nfs/dbraw/zinc/09/39/07/571093907.db2.gz XKGGZGNSGVMTTM-UHFFFAOYSA-N 1 0 365.904 5.560 50 0 FKAARO Cc1cccc(COc2ccccc2C[NH2+][C@@H](C)CCc2ccccc2)c1 ZINC000040731526 208265566 /nfs/dbraw/zinc/26/55/66/208265566.db2.gz PXRZTAHMOIBLDP-NRFANRHFSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1cccc(COc2ccccc2C[NH2+][C@H](C)CCc2ccccc2)c1 ZINC000040731530 571094457 /nfs/dbraw/zinc/09/44/57/571094457.db2.gz PXRZTAHMOIBLDP-OAQYLSRUSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1ccccc1COc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000040731546 208264829 /nfs/dbraw/zinc/26/48/29/208264829.db2.gz OSGIAXVLNCYLJU-UHFFFAOYSA-N 1 0 361.529 5.632 50 0 FKAARO Cc1ccccc1COc1ccccc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000040731549 205078139 /nfs/dbraw/zinc/07/81/39/205078139.db2.gz DKKZYIAFXXMYEA-UHFFFAOYSA-N 1 0 361.529 5.488 50 0 FKAARO Cc1ccccc1COc1ccccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000040731637 205079202 /nfs/dbraw/zinc/07/92/02/205079202.db2.gz RVCCXZOGBDLBEZ-UHFFFAOYSA-N 1 0 370.496 5.388 50 0 FKAARO Cc1ccccc1COc1ccccc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000040731690 571094330 /nfs/dbraw/zinc/09/43/30/571094330.db2.gz HLQVNJCUQAZBIK-UHFFFAOYSA-N 1 0 365.904 5.560 50 0 FKAARO Cc1ccccc1COc1ccccc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000040731711 205079383 /nfs/dbraw/zinc/07/93/83/205079383.db2.gz VCOUABLLTHFCDG-NRFANRHFSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1ccccc1COc1ccccc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000040731714 211755307 /nfs/dbraw/zinc/75/53/07/211755307.db2.gz VCOUABLLTHFCDG-OAQYLSRUSA-N 1 0 359.513 5.685 50 0 FKAARO Clc1cccc(Cl)c1COc1ccccc1C[NH2+]Cc1ccccc1 ZINC000040731723 205079238 /nfs/dbraw/zinc/07/92/38/205079238.db2.gz PIMWSBOLZBQVKD-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1cccc(Cl)c1COc1ccccc1C[NH2+]C1CCCCC1 ZINC000040731726 571094542 /nfs/dbraw/zinc/09/45/42/571094542.db2.gz MTFISVWGHDXWIX-UHFFFAOYSA-N 1 0 364.316 5.995 50 0 FKAARO Clc1cccc(Cl)c1COc1ccccc1C[NH2+]C1CCCC1 ZINC000040731752 220918796 /nfs/dbraw/zinc/91/87/96/220918796.db2.gz WXLXBHCYCKCYTK-UHFFFAOYSA-N 1 0 350.289 5.605 50 0 FKAARO Clc1cccc(Cl)c1COc1ccccc1C[NH2+]Cc1cccnc1 ZINC000040731762 205078742 /nfs/dbraw/zinc/07/87/42/205078742.db2.gz GQPWRXVBPYDBSO-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO CCOCCC[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731783 205078568 /nfs/dbraw/zinc/07/85/68/205078568.db2.gz FSAYDTQVVXHERM-UHFFFAOYSA-N 1 0 368.304 5.089 50 0 FKAARO CCCCC[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731789 571094395 /nfs/dbraw/zinc/09/43/95/571094395.db2.gz CRTHJIRPLMBTHU-UHFFFAOYSA-N 1 0 352.305 5.852 50 0 FKAARO CCCCCC[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731792 571094383 /nfs/dbraw/zinc/09/43/83/571094383.db2.gz LTEBKNZCXXBPMN-UHFFFAOYSA-N 1 0 366.332 6.242 50 0 FKAARO Clc1cccc(Cl)c1COc1ccccc1C[NH2+]Cc1ccncc1 ZINC000040731882 571094482 /nfs/dbraw/zinc/09/44/82/571094482.db2.gz SFVVVBCVHSKFDA-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO CC(C)CC[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731908 220917426 /nfs/dbraw/zinc/91/74/26/220917426.db2.gz KUELAPAGBPVYJD-UHFFFAOYSA-N 1 0 352.305 5.708 50 0 FKAARO CCC(C)(C)[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731911 571094563 /nfs/dbraw/zinc/09/45/63/571094563.db2.gz HRVLVRWWBAKJEN-UHFFFAOYSA-N 1 0 352.305 5.851 50 0 FKAARO Fc1ccc(COc2ccccc2C[NH2+]Cc2ccccc2)c(Cl)c1 ZINC000040731926 571094431 /nfs/dbraw/zinc/09/44/31/571094431.db2.gz FJFHPAIOWLIMAK-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO C[C@H]([NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl)c1ccccc1 ZINC000040731953 571094506 /nfs/dbraw/zinc/09/45/06/571094506.db2.gz NACSSKCQIOBWOX-INIZCTEOSA-N 1 0 369.867 5.909 50 0 FKAARO C[C@@H]([NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl)c1ccccc1 ZINC000040731956 571094494 /nfs/dbraw/zinc/09/44/94/571094494.db2.gz NACSSKCQIOBWOX-MRXNPFEDSA-N 1 0 369.867 5.909 50 0 FKAARO Fc1ccc(COc2ccccc2C[NH2+]CCc2ccccc2)c(Cl)c1 ZINC000040731968 208266645 /nfs/dbraw/zinc/26/66/45/208266645.db2.gz RUEQMTFBNHZLGM-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(COc2ccccc2C[NH2+]Cc2cccs2)c(Cl)c1 ZINC000040731986 571094408 /nfs/dbraw/zinc/09/44/08/571094408.db2.gz OLZASCZPWITKQL-UHFFFAOYSA-N 1 0 361.869 5.409 50 0 FKAARO Fc1ccc(C[NH2+]Cc2ccccc2OCc2ccc(F)cc2Cl)cc1 ZINC000040732032 571094335 /nfs/dbraw/zinc/09/43/35/571094335.db2.gz CRSXZWXPYKZAMZ-UHFFFAOYSA-N 1 0 373.830 5.487 50 0 FKAARO Fc1ccc(COc2ccccc2C[NH2+]C2CCCCCC2)c(Cl)c1 ZINC000040732047 571094490 /nfs/dbraw/zinc/09/44/90/571094490.db2.gz YBASVBQXSLZHSE-UHFFFAOYSA-N 1 0 361.888 5.871 50 0 FKAARO Cc1ccc(C[NH2+]Cc2ccccc2OCc2ccc(F)cc2Cl)cc1 ZINC000040732062 208266570 /nfs/dbraw/zinc/26/65/70/208266570.db2.gz TYWPBWOWURVPHH-UHFFFAOYSA-N 1 0 369.867 5.656 50 0 FKAARO Fc1ccc(COc2ccccc2C[NH2+]CCC2=CCCCC2)c(Cl)c1 ZINC000040732111 571094378 /nfs/dbraw/zinc/09/43/78/571094378.db2.gz BWBFTYPCHRDKCY-UHFFFAOYSA-N 1 0 373.899 6.038 50 0 FKAARO Fc1cccc(Cl)c1COc1ccccc1C[NH2+]Cc1ccccc1 ZINC000040732133 571094462 /nfs/dbraw/zinc/09/44/62/571094462.db2.gz BREGNDZUPUHKQJ-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO C[C@H]([NH2+]Cc1ccccc1OCc1c(F)cccc1Cl)c1ccccc1 ZINC000040732156 205078374 /nfs/dbraw/zinc/07/83/74/205078374.db2.gz YTDMSIOXDAFSSG-INIZCTEOSA-N 1 0 369.867 5.909 50 0 FKAARO C[C@@H]([NH2+]Cc1ccccc1OCc1c(F)cccc1Cl)c1ccccc1 ZINC000040732158 571094419 /nfs/dbraw/zinc/09/44/19/571094419.db2.gz YTDMSIOXDAFSSG-MRXNPFEDSA-N 1 0 369.867 5.909 50 0 FKAARO Fc1cccc(Cl)c1COc1ccccc1C[NH2+]CCc1ccccc1 ZINC000040732169 205079099 /nfs/dbraw/zinc/07/90/99/205079099.db2.gz SWIMYQJIIYSGHR-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1cccc(Cl)c1COc1ccccc1C[NH2+]Cc1cccs1 ZINC000040732187 205079405 /nfs/dbraw/zinc/07/94/05/205079405.db2.gz JTMDIIKMEOXZHD-UHFFFAOYSA-N 1 0 361.869 5.409 50 0 FKAARO Fc1ccc(C[NH2+]Cc2ccccc2OCc2c(F)cccc2Cl)cc1 ZINC000040732229 208266789 /nfs/dbraw/zinc/26/67/89/208266789.db2.gz UDTXIPQPXWAGPY-UHFFFAOYSA-N 1 0 373.830 5.487 50 0 FKAARO Fc1cccc(Cl)c1COc1ccccc1C[NH2+]C1CCCCCC1 ZINC000040732244 205079425 /nfs/dbraw/zinc/07/94/25/205079425.db2.gz GVJOPDFLFKFDLH-UHFFFAOYSA-N 1 0 361.888 5.871 50 0 FKAARO Cc1ccc(C[NH2+]Cc2ccccc2OCc2c(F)cccc2Cl)cc1 ZINC000040732259 208265673 /nfs/dbraw/zinc/26/56/73/208265673.db2.gz SHTAETGEXBMPEJ-UHFFFAOYSA-N 1 0 369.867 5.656 50 0 FKAARO Fc1cccc(Cl)c1COc1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000040732308 571094515 /nfs/dbraw/zinc/09/45/15/571094515.db2.gz VEJOXEBHZDKEQU-UHFFFAOYSA-N 1 0 373.899 6.038 50 0 FKAARO Clc1ccc(COc2ccccc2C[NH2+]Cc2ccccc2)cc1Cl ZINC000040732328 571094341 /nfs/dbraw/zinc/09/43/41/571094341.db2.gz KDRQCGNJPKYIOS-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1ccc(COc2ccccc2C[NH2+]C2CCCCC2)cc1Cl ZINC000040732331 205079350 /nfs/dbraw/zinc/07/93/50/205079350.db2.gz DQEQRLSAZYJHEF-UHFFFAOYSA-N 1 0 364.316 5.995 50 0 FKAARO Clc1ccc(COc2ccccc2C[NH2+]C2CCCC2)cc1Cl ZINC000040732358 571094468 /nfs/dbraw/zinc/09/44/68/571094468.db2.gz QTLCHCWWNZTUFJ-UHFFFAOYSA-N 1 0 350.289 5.605 50 0 FKAARO Clc1ccc(COc2ccccc2C[NH2+]Cc2cccnc2)cc1Cl ZINC000040732367 571094480 /nfs/dbraw/zinc/09/44/80/571094480.db2.gz ZFNAPQRWWWGVHB-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO CCOCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732388 571094520 /nfs/dbraw/zinc/09/45/20/571094520.db2.gz NNPVVGHKLYAUMQ-UHFFFAOYSA-N 1 0 368.304 5.089 50 0 FKAARO CCCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732393 205078802 /nfs/dbraw/zinc/07/88/02/205078802.db2.gz RAMHTUDMAXAFPQ-UHFFFAOYSA-N 1 0 352.305 5.852 50 0 FKAARO CCCCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732397 208266169 /nfs/dbraw/zinc/26/61/69/208266169.db2.gz XZBKHCDJVQBLRU-UHFFFAOYSA-N 1 0 366.332 6.242 50 0 FKAARO Clc1ccc(COc2ccccc2C[NH2+]Cc2ccncc2)cc1Cl ZINC000040732490 205078949 /nfs/dbraw/zinc/07/89/49/205078949.db2.gz RCQNKURNZQJPLN-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO CC(C)CC[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732517 208266698 /nfs/dbraw/zinc/26/66/98/208266698.db2.gz HBDIMAQFSPAUNC-UHFFFAOYSA-N 1 0 352.305 5.708 50 0 FKAARO CCC(C)(C)[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732520 205079189 /nfs/dbraw/zinc/07/91/89/205079189.db2.gz OVZYFLUNTNTMMD-UHFFFAOYSA-N 1 0 352.305 5.851 50 0 FKAARO C[C@H]([NH2+]Cc1ccccc1OCc1cccc(Cl)c1)c1ccccc1 ZINC000040732559 571094370 /nfs/dbraw/zinc/09/43/70/571094370.db2.gz FEZGAEDLEYWUTF-KRWDZBQOSA-N 1 0 351.877 5.770 50 0 FKAARO C[C@@H]([NH2+]Cc1ccccc1OCc1cccc(Cl)c1)c1ccccc1 ZINC000040732562 571094451 /nfs/dbraw/zinc/09/44/51/571094451.db2.gz FEZGAEDLEYWUTF-QGZVFWFLSA-N 1 0 351.877 5.770 50 0 FKAARO Clc1cccc(COc2ccccc2C[NH2+]CCc2ccccc2)c1 ZINC000040732571 571094403 /nfs/dbraw/zinc/09/44/03/571094403.db2.gz GQWYSONLFZJJNF-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1ccccc1OCc1cccc(Cl)c1 ZINC000040732619 205078351 /nfs/dbraw/zinc/07/83/51/205078351.db2.gz KEIUHEJSTGPRJP-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000040732622 205078676 /nfs/dbraw/zinc/07/86/76/205078676.db2.gz SHINCSJWUFDQGJ-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(C[NH2+]Cc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000040732628 571094353 /nfs/dbraw/zinc/09/43/53/571094353.db2.gz WIYKKMRIXFKXGZ-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccccc1OCc1cccc(Cl)c1 ZINC000040732647 208264779 /nfs/dbraw/zinc/26/47/79/208264779.db2.gz ZEWXDTCNUOWVCM-UHFFFAOYSA-N 1 0 359.941 6.223 50 0 FKAARO Clc1cccc(COc2ccccc2C[NH2+]C2CCCCCCC2)c1 ZINC000040732650 571094400 /nfs/dbraw/zinc/09/44/00/571094400.db2.gz PZBKYSWHVLLURL-UHFFFAOYSA-N 1 0 357.925 6.122 50 0 FKAARO Cc1ccc(C[NH2+]Cc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000040732656 208265579 /nfs/dbraw/zinc/26/55/79/208265579.db2.gz MWOYZEPJRSCRRV-UHFFFAOYSA-N 1 0 351.877 5.517 50 0 FKAARO COc1ccc(C[NH2+]Cc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000040732659 220917318 /nfs/dbraw/zinc/91/73/18/220917318.db2.gz HYMJXIWGKJBRPZ-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO CCCCOCCC[NH2+]Cc1ccccc1OCc1cccc(Cl)c1 ZINC000040732688 571094471 /nfs/dbraw/zinc/09/44/71/571094471.db2.gz JURGWQKJGCMZDO-UHFFFAOYSA-N 1 0 361.913 5.215 50 0 FKAARO Clc1cccc(COc2ccccc2C[NH2+]CCC2=CCCCC2)c1 ZINC000040732706 571094437 /nfs/dbraw/zinc/09/44/37/571094437.db2.gz UHCWMRGXKUVXJZ-UHFFFAOYSA-N 1 0 355.909 5.899 50 0 FKAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccc2)c1 ZINC000040734768 208265160 /nfs/dbraw/zinc/26/51/60/208265160.db2.gz BSPMDEHKOUUJHA-UHFFFAOYSA-N 1 0 367.492 6.017 50 0 FKAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCC2)c1 ZINC000040734771 211757807 /nfs/dbraw/zinc/75/78/07/211757807.db2.gz CNCSXLWRSASWOK-UHFFFAOYSA-N 1 0 359.513 6.150 50 0 FKAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccnc2)c1 ZINC000040734806 571094942 /nfs/dbraw/zinc/09/49/42/571094942.db2.gz XICMHEYLEJIYFL-UHFFFAOYSA-N 1 0 368.480 5.412 50 0 FKAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccs2)c1 ZINC000040734821 208264842 /nfs/dbraw/zinc/26/48/42/208264842.db2.gz YOUZMBALAFOFFF-UHFFFAOYSA-N 1 0 373.521 6.079 50 0 FKAARO CCOCCC[NH2+]Cc1c(OCc2cccc(C)c2)ccc2ccccc21 ZINC000040734827 205078360 /nfs/dbraw/zinc/07/83/60/205078360.db2.gz HXESEHGLVFAZRA-UHFFFAOYSA-N 1 0 363.501 5.243 50 0 FKAARO CCCCCC[NH2+]Cc1c(OCc2cccc(C)c2)ccc2ccccc21 ZINC000040734836 571094739 /nfs/dbraw/zinc/09/47/39/571094739.db2.gz BBOXORURHKSTJW-UHFFFAOYSA-N 1 0 361.529 6.397 50 0 FKAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCCC2)c1 ZINC000040734886 208265019 /nfs/dbraw/zinc/26/50/19/208265019.db2.gz PRYRDQRTMYMCJB-UHFFFAOYSA-N 1 0 373.540 6.540 50 0 FKAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccn2)c1 ZINC000040734931 208265366 /nfs/dbraw/zinc/26/53/66/208265366.db2.gz WYWGGORETLZCKU-UHFFFAOYSA-N 1 0 368.480 5.412 50 0 FKAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccncc2)c1 ZINC000040734935 208265148 /nfs/dbraw/zinc/26/51/48/208265148.db2.gz NBCDWRSYNDGOHK-UHFFFAOYSA-N 1 0 368.480 5.412 50 0 FKAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1ccccc1 ZINC000040734982 571094866 /nfs/dbraw/zinc/09/48/66/571094866.db2.gz JSWHNFQOBZFFOP-UHFFFAOYSA-N 1 0 367.492 6.017 50 0 FKAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1CCCCC1 ZINC000040734985 211757412 /nfs/dbraw/zinc/75/74/12/211757412.db2.gz RSLPDFHKQSUGFY-UHFFFAOYSA-N 1 0 359.513 6.150 50 0 FKAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1cccnc1 ZINC000040735022 571094774 /nfs/dbraw/zinc/09/47/74/571094774.db2.gz BEARRNQHZHZQHJ-UHFFFAOYSA-N 1 0 368.480 5.412 50 0 FKAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1cccs1 ZINC000040735037 208265945 /nfs/dbraw/zinc/26/59/45/208265945.db2.gz UHZQZFPDAKPTCD-UHFFFAOYSA-N 1 0 373.521 6.079 50 0 FKAARO CCOCCC[NH2+]Cc1c(OCc2ccccc2C)ccc2ccccc21 ZINC000040735043 220918641 /nfs/dbraw/zinc/91/86/41/220918641.db2.gz WKUKQQKEMIUSDF-UHFFFAOYSA-N 1 0 363.501 5.243 50 0 FKAARO CCCCCC[NH2+]Cc1c(OCc2ccccc2C)ccc2ccccc21 ZINC000040735052 571094731 /nfs/dbraw/zinc/09/47/31/571094731.db2.gz DXJDAXFFAXFZCF-UHFFFAOYSA-N 1 0 361.529 6.397 50 0 FKAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1CCCCCC1 ZINC000040735100 211756984 /nfs/dbraw/zinc/75/69/84/211756984.db2.gz MHTIJRTXLTXBOJ-UHFFFAOYSA-N 1 0 373.540 6.540 50 0 FKAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1ccccn1 ZINC000040735139 205079068 /nfs/dbraw/zinc/07/90/68/205079068.db2.gz BADUWMNTNNTMCD-UHFFFAOYSA-N 1 0 368.480 5.412 50 0 FKAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1ccncc1 ZINC000040735141 205078099 /nfs/dbraw/zinc/07/80/99/205078099.db2.gz IBNYYPTUDKOZCU-UHFFFAOYSA-N 1 0 368.480 5.412 50 0 FKAARO CC[NH2+]Cc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc21 ZINC000040735255 571236940 /nfs/dbraw/zinc/23/69/40/571236940.db2.gz IMVNVJYDMLEDCL-UHFFFAOYSA-N 1 0 360.284 5.835 50 0 FKAARO CCC[NH2+]Cc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc21 ZINC000040735258 571236986 /nfs/dbraw/zinc/23/69/86/571236986.db2.gz FVZVUYTVXCZBKZ-UHFFFAOYSA-N 1 0 374.311 6.225 50 0 FKAARO Clc1cccc(Cl)c1COc1ccc2ccccc2c1C[NH2+]C1CC1 ZINC000040735310 571236977 /nfs/dbraw/zinc/23/69/77/571236977.db2.gz XCQNHXAYWCJTJA-UHFFFAOYSA-N 1 0 372.295 5.978 50 0 FKAARO CC(C)[NH2+]Cc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc21 ZINC000040735342 205666720 /nfs/dbraw/zinc/66/67/20/205666720.db2.gz VNLPAGUMXXEJAH-UHFFFAOYSA-N 1 0 374.311 6.224 50 0 FKAARO CC(C)(C)[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040735406 571094817 /nfs/dbraw/zinc/09/48/17/571094817.db2.gz LSPAJWZRSMAYNE-UHFFFAOYSA-N 1 0 371.883 6.099 50 0 FKAARO CCCC[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040735429 571094736 /nfs/dbraw/zinc/09/47/36/571094736.db2.gz JYDMMMUMVICFAV-UHFFFAOYSA-N 1 0 371.883 6.101 50 0 FKAARO CCC[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040735469 571236984 /nfs/dbraw/zinc/23/69/84/571236984.db2.gz UMTSMJHZCAEKJF-UHFFFAOYSA-N 1 0 357.856 5.711 50 0 FKAARO CC(C)C[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040735478 571094950 /nfs/dbraw/zinc/09/49/50/571094950.db2.gz BZTPJVTULREAOQ-UHFFFAOYSA-N 1 0 371.883 5.957 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040735481 205078392 /nfs/dbraw/zinc/07/83/92/205078392.db2.gz OMIUKKDIXAAENE-OAHLLOKOSA-N 1 0 371.883 6.099 50 0 FKAARO CC[C@H](C)[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040735484 205079287 /nfs/dbraw/zinc/07/92/87/205079287.db2.gz OMIUKKDIXAAENE-HNNXBMFYSA-N 1 0 371.883 6.099 50 0 FKAARO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CC2)c(Cl)c1 ZINC000040735521 571236943 /nfs/dbraw/zinc/23/69/43/571236943.db2.gz LNAIANHSYJJPGY-UHFFFAOYSA-N 1 0 355.840 5.463 50 0 FKAARO CC(C)[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040735553 571237131 /nfs/dbraw/zinc/23/71/31/571237131.db2.gz NPJIKZVJLIMBRP-UHFFFAOYSA-N 1 0 357.856 5.709 50 0 FKAARO CC(C)(C)[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040735613 571094764 /nfs/dbraw/zinc/09/47/64/571094764.db2.gz VJMKSWRUKIEHNE-UHFFFAOYSA-N 1 0 371.883 6.099 50 0 FKAARO CCCC[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040735635 208265455 /nfs/dbraw/zinc/26/54/55/208265455.db2.gz UXBBTJLQWDVCHB-UHFFFAOYSA-N 1 0 371.883 6.101 50 0 FKAARO CCC[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040735675 205666474 /nfs/dbraw/zinc/66/64/74/205666474.db2.gz SOHMFNULXDXUDC-UHFFFAOYSA-N 1 0 357.856 5.711 50 0 FKAARO CC(C)C[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040735684 571094714 /nfs/dbraw/zinc/09/47/14/571094714.db2.gz PIQLUZMLNKYEEK-UHFFFAOYSA-N 1 0 371.883 5.957 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040735687 208265134 /nfs/dbraw/zinc/26/51/34/208265134.db2.gz UICXNUNTBQKZTQ-OAHLLOKOSA-N 1 0 371.883 6.099 50 0 FKAARO CC[C@H](C)[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040735690 571094884 /nfs/dbraw/zinc/09/48/84/571094884.db2.gz UICXNUNTBQKZTQ-HNNXBMFYSA-N 1 0 371.883 6.099 50 0 FKAARO Fc1cccc(Cl)c1COc1ccc2ccccc2c1C[NH2+]C1CC1 ZINC000040735726 571236992 /nfs/dbraw/zinc/23/69/92/571236992.db2.gz HNLSNODIGDCYDK-UHFFFAOYSA-N 1 0 355.840 5.463 50 0 FKAARO CC(C)[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040735759 571237123 /nfs/dbraw/zinc/23/71/23/571237123.db2.gz OTYLGBOIOVRZIC-UHFFFAOYSA-N 1 0 357.856 5.709 50 0 FKAARO CC[NH2+]Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000040735878 571237112 /nfs/dbraw/zinc/23/71/12/571237112.db2.gz OIKYOEGYPPPZHL-UHFFFAOYSA-N 1 0 360.284 5.835 50 0 FKAARO CCC[NH2+]Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000040735882 571237105 /nfs/dbraw/zinc/23/71/05/571237105.db2.gz IYNDIVYPHGVZST-UHFFFAOYSA-N 1 0 374.311 6.225 50 0 FKAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CC2)cc1Cl ZINC000040735931 571237106 /nfs/dbraw/zinc/23/71/06/571237106.db2.gz JVJOZYOQXCAQEN-UHFFFAOYSA-N 1 0 372.295 5.978 50 0 FKAARO CC(C)[NH2+]Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000040735961 205667103 /nfs/dbraw/zinc/66/71/03/205667103.db2.gz WWLMMCZVYAQYKO-UHFFFAOYSA-N 1 0 374.311 6.224 50 0 FKAARO CC(C)(C)[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736021 571237147 /nfs/dbraw/zinc/23/71/47/571237147.db2.gz QBWDQAPOFHFIST-UHFFFAOYSA-N 1 0 353.893 5.960 50 0 FKAARO CCCC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736045 571094888 /nfs/dbraw/zinc/09/48/88/571094888.db2.gz CAKGWLYPPSKRER-UHFFFAOYSA-N 1 0 353.893 5.962 50 0 FKAARO Clc1cccc(COc2ccc3ccccc3c2C[NH2+]C2CCCC2)c1 ZINC000040736048 571094853 /nfs/dbraw/zinc/09/48/53/571094853.db2.gz KUGKUSRKYVRZIQ-UHFFFAOYSA-N 1 0 365.904 6.104 50 0 FKAARO CCCCC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736084 571094843 /nfs/dbraw/zinc/09/48/43/571094843.db2.gz DZYJHONBRWYXKZ-UHFFFAOYSA-N 1 0 367.920 6.352 50 0 FKAARO CC(C)C[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736090 571237164 /nfs/dbraw/zinc/23/71/64/571237164.db2.gz JBQGUWRPINAIGG-UHFFFAOYSA-N 1 0 353.893 5.818 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736093 205079466 /nfs/dbraw/zinc/07/94/66/205079466.db2.gz QEOBISPZXINFIH-MRXNPFEDSA-N 1 0 353.893 5.960 50 0 FKAARO CC[C@H](C)[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736096 205078965 /nfs/dbraw/zinc/07/89/65/205078965.db2.gz QEOBISPZXINFIH-INIZCTEOSA-N 1 0 353.893 5.960 50 0 FKAARO COCCC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736195 220918493 /nfs/dbraw/zinc/91/84/93/220918493.db2.gz TUWDYKSNAKCIET-UHFFFAOYSA-N 1 0 369.892 5.198 50 0 FKAARO CC(C)CC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736204 211758008 /nfs/dbraw/zinc/75/80/08/211758008.db2.gz XWYRBWFAYRZKAX-UHFFFAOYSA-N 1 0 367.920 6.208 50 0 FKAARO CCC(C)(C)[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736207 571094937 /nfs/dbraw/zinc/09/49/37/571094937.db2.gz PCKAVHXFKKCYDJ-UHFFFAOYSA-N 1 0 367.920 6.350 50 0 FKAARO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1cccc(C)c1 ZINC000040736437 208266840 /nfs/dbraw/zinc/26/68/40/208266840.db2.gz FDTULTNJFRDGQH-UHFFFAOYSA-N 1 0 361.485 5.263 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCc1cccc(C)c1 ZINC000040736440 571094750 /nfs/dbraw/zinc/09/47/50/571094750.db2.gz ZVDNZDPJHALTAA-UHFFFAOYSA-N 1 0 353.506 5.395 50 0 FKAARO CCOc1cc(C[NH2+]Cc2cccs2)ccc1OCc1cccc(C)c1 ZINC000040736493 571094891 /nfs/dbraw/zinc/09/48/91/571094891.db2.gz GCQSCPISQCDFIL-UHFFFAOYSA-N 1 0 367.514 5.324 50 0 FKAARO CCCCCC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OCC)c1 ZINC000040736508 205078479 /nfs/dbraw/zinc/07/84/79/205078479.db2.gz AMOFXZGZAGMFLC-UHFFFAOYSA-N 1 0 355.522 5.643 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1cccc(C)c1 ZINC000040736556 205078414 /nfs/dbraw/zinc/07/84/14/205078414.db2.gz IGJPJICXODLHBK-UHFFFAOYSA-N 1 0 367.533 5.785 50 0 FKAARO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccccc1C ZINC000040736644 205079471 /nfs/dbraw/zinc/07/94/71/205079471.db2.gz IPWWFSZGEIADBQ-UHFFFAOYSA-N 1 0 361.485 5.263 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccccc1C ZINC000040736647 205079055 /nfs/dbraw/zinc/07/90/55/205079055.db2.gz NXGRPFCQKAZEKV-UHFFFAOYSA-N 1 0 353.506 5.395 50 0 FKAARO CCOc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccccc1C ZINC000040736698 571094963 /nfs/dbraw/zinc/09/49/63/571094963.db2.gz NPCMTRCRZKFDPB-UHFFFAOYSA-N 1 0 367.514 5.324 50 0 FKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccccc2C)c(OCC)c1 ZINC000040736713 205078721 /nfs/dbraw/zinc/07/87/21/205078721.db2.gz JXPKFHXUHCLIRE-UHFFFAOYSA-N 1 0 355.522 5.643 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccccc1C ZINC000040736761 208265757 /nfs/dbraw/zinc/26/57/57/208265757.db2.gz GCXUCMLVGXIHIW-UHFFFAOYSA-N 1 0 367.533 5.785 50 0 FKAARO CC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 ZINC000040736911 571237327 /nfs/dbraw/zinc/23/73/27/571237327.db2.gz DKAYFIMXOZJDMK-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 ZINC000040736914 571237273 /nfs/dbraw/zinc/23/72/73/571237273.db2.gz HISMEWHRYMPHKK-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCOc1cc(C[NH2+]C2CC2)ccc1OCc1c(Cl)cccc1Cl ZINC000040736965 571237351 /nfs/dbraw/zinc/23/73/51/571237351.db2.gz BOCQQJFNODUEMN-UHFFFAOYSA-N 1 0 366.288 5.223 50 0 FKAARO CCOc1cc(C[NH2+]C(C)C)ccc1OCc1c(Cl)cccc1Cl ZINC000040736995 220917953 /nfs/dbraw/zinc/91/79/53/220917953.db2.gz PTORCWYFELNVCJ-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccc(F)cc1Cl ZINC000040737055 571237301 /nfs/dbraw/zinc/23/73/01/571237301.db2.gz ZWFFANYSAOBXRJ-UHFFFAOYSA-N 1 0 365.876 5.345 50 0 FKAARO CCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OCC)c1 ZINC000040737080 571094755 /nfs/dbraw/zinc/09/47/55/571094755.db2.gz DDFHGWLNOFRRRU-UHFFFAOYSA-N 1 0 365.876 5.347 50 0 FKAARO CCOc1cc(C[NH2+]CC(C)C)ccc1OCc1ccc(F)cc1Cl ZINC000040737131 571237326 /nfs/dbraw/zinc/23/73/26/571237326.db2.gz JYICQDHFCKHUAF-UHFFFAOYSA-N 1 0 365.876 5.202 50 0 FKAARO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCc1ccc(F)cc1Cl ZINC000040737134 571094906 /nfs/dbraw/zinc/09/49/06/571094906.db2.gz WLMYNSJZKHLEQQ-CQSZACIVSA-N 1 0 365.876 5.345 50 0 FKAARO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCc1ccc(F)cc1Cl ZINC000040737137 571094874 /nfs/dbraw/zinc/09/48/74/571094874.db2.gz WLMYNSJZKHLEQQ-AWEZNQCLSA-N 1 0 365.876 5.345 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OCc1c(F)cccc1Cl ZINC000040737300 571237322 /nfs/dbraw/zinc/23/73/22/571237322.db2.gz BFAGNJKEYXZEFZ-UHFFFAOYSA-N 1 0 365.876 5.345 50 0 FKAARO CCCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OCC)c1 ZINC000040737329 571094815 /nfs/dbraw/zinc/09/48/15/571094815.db2.gz DNQAYKQVHVVSSL-UHFFFAOYSA-N 1 0 365.876 5.347 50 0 FKAARO CCOc1cc(C[NH2+]CC(C)C)ccc1OCc1c(F)cccc1Cl ZINC000040737374 571237302 /nfs/dbraw/zinc/23/73/02/571237302.db2.gz MCFSRTWZTMXRSH-UHFFFAOYSA-N 1 0 365.876 5.202 50 0 FKAARO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCc1c(F)cccc1Cl ZINC000040737377 571094743 /nfs/dbraw/zinc/09/47/43/571094743.db2.gz ILAAUHPVKUBQEN-CQSZACIVSA-N 1 0 365.876 5.345 50 0 FKAARO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCc1c(F)cccc1Cl ZINC000040737380 208265615 /nfs/dbraw/zinc/26/56/15/208265615.db2.gz ILAAUHPVKUBQEN-AWEZNQCLSA-N 1 0 365.876 5.345 50 0 FKAARO CC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 ZINC000040737556 571237493 /nfs/dbraw/zinc/23/74/93/571237493.db2.gz HKEXVSKSXFTHPW-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 ZINC000040737559 571237506 /nfs/dbraw/zinc/23/75/06/571237506.db2.gz NHUVZCHKGOKIQP-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCOc1cc(C[NH2+]C2CC2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040737608 571237503 /nfs/dbraw/zinc/23/75/03/571237503.db2.gz LWCOPXOJSQZGSE-UHFFFAOYSA-N 1 0 366.288 5.223 50 0 FKAARO CCOc1cc(C[NH2+]C(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040737637 220920114 /nfs/dbraw/zinc/92/01/14/220920114.db2.gz KQVPXVNNBHQZGO-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCc1cccc(Cl)c1 ZINC000040737692 208266091 /nfs/dbraw/zinc/26/60/91/208266091.db2.gz ITWPSSAXCMVSQE-UHFFFAOYSA-N 1 0 373.924 5.740 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCC2)ccc1OCc1cccc(Cl)c1 ZINC000040737720 208266396 /nfs/dbraw/zinc/26/63/96/208266396.db2.gz UUJIYZOHJFLIIX-UHFFFAOYSA-N 1 0 359.897 5.350 50 0 FKAARO CCCCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OCC)c1 ZINC000040737750 220919293 /nfs/dbraw/zinc/91/92/93/220919293.db2.gz DHPSWQADYQWGGW-UHFFFAOYSA-N 1 0 361.913 5.598 50 0 FKAARO CCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1cccc(Cl)c1 ZINC000040737811 205078227 /nfs/dbraw/zinc/07/82/27/205078227.db2.gz AAIYYDZTZGVAJV-UHFFFAOYSA-N 1 0 371.864 5.201 50 0 FKAARO CCOc1cc(C[NH2+]CCC(C)C)ccc1OCc1cccc(Cl)c1 ZINC000040737863 208265642 /nfs/dbraw/zinc/26/56/42/208265642.db2.gz CUOAHUNNFUYZBT-UHFFFAOYSA-N 1 0 361.913 5.453 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)CC)ccc1OCc1cccc(Cl)c1 ZINC000040737865 208265940 /nfs/dbraw/zinc/26/59/40/208265940.db2.gz WJIAAAAXZFANCM-UHFFFAOYSA-N 1 0 361.913 5.596 50 0 FKAARO Cc1cccc(COc2cccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)c2)c1 ZINC000040738066 205078411 /nfs/dbraw/zinc/07/84/11/205078411.db2.gz DWLNIIYNPCIAON-UHFFFAOYSA-N 1 0 361.529 5.632 50 0 FKAARO Cc1cccc(COc2cccc(C[NH2+]C3C4CC5CC(C4)CC3C5)c2)c1 ZINC000040738069 208265918 /nfs/dbraw/zinc/26/59/18/208265918.db2.gz VJWJHOZPSKWCEQ-UHFFFAOYSA-N 1 0 361.529 5.488 50 0 FKAARO Cc1cccc(COc2cccc(C[NH2+]Cc3ccccc3Cl)c2)c1 ZINC000040738082 205078699 /nfs/dbraw/zinc/07/86/99/205078699.db2.gz WVMUUWAVPNPMMN-UHFFFAOYSA-N 1 0 351.877 5.517 50 0 FKAARO Cc1cccc(COc2cccc(C[NH2+]CCc3c[nH]c4ccccc34)c2)c1 ZINC000040738144 571095224 /nfs/dbraw/zinc/09/52/24/571095224.db2.gz DWAORPOWJLEVTD-UHFFFAOYSA-N 1 0 370.496 5.388 50 0 FKAARO Cc1cccc(COc2cccc(C[NH2+]CCc3ccc(Cl)cc3)c2)c1 ZINC000040738196 208266688 /nfs/dbraw/zinc/26/66/88/208266688.db2.gz JUOMSQZREBGHPZ-UHFFFAOYSA-N 1 0 365.904 5.560 50 0 FKAARO Cc1cccc(COc2cccc(C[NH2+][C@@H](C)CCc3ccccc3)c2)c1 ZINC000040738216 571095292 /nfs/dbraw/zinc/09/52/92/571095292.db2.gz IXHSKBRZVMSXDB-NRFANRHFSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1cccc(COc2cccc(C[NH2+][C@H](C)CCc3ccccc3)c2)c1 ZINC000040738219 205078280 /nfs/dbraw/zinc/07/82/80/205078280.db2.gz IXHSKBRZVMSXDB-OAQYLSRUSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1ccccc1COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000040738234 211756384 /nfs/dbraw/zinc/75/63/84/211756384.db2.gz QOAQMKBEXFLNIT-UHFFFAOYSA-N 1 0 361.529 5.632 50 0 FKAARO Cc1ccccc1COc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000040738237 571095302 /nfs/dbraw/zinc/09/53/02/571095302.db2.gz LKXIWLREBKXIEG-UHFFFAOYSA-N 1 0 361.529 5.488 50 0 FKAARO Cc1ccccc1COc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000040738253 208266209 /nfs/dbraw/zinc/26/62/09/208266209.db2.gz VYJABOFEWOAJRB-UHFFFAOYSA-N 1 0 351.877 5.517 50 0 FKAARO Cc1ccccc1COc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000040738325 571095236 /nfs/dbraw/zinc/09/52/36/571095236.db2.gz NSBXCBICVBABBA-UHFFFAOYSA-N 1 0 370.496 5.388 50 0 FKAARO Cc1ccccc1COc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000040738361 571095306 /nfs/dbraw/zinc/09/53/06/571095306.db2.gz UGLGXRPYXBMHNJ-UHFFFAOYSA-N 1 0 365.904 5.560 50 0 FKAARO Cc1ccccc1COc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1 ZINC000040738375 211757350 /nfs/dbraw/zinc/75/73/50/211757350.db2.gz HVDKKIRAORLTQA-NRFANRHFSA-N 1 0 359.513 5.685 50 0 FKAARO Cc1ccccc1COc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1 ZINC000040738377 571095180 /nfs/dbraw/zinc/09/51/80/571095180.db2.gz HVDKKIRAORLTQA-OAQYLSRUSA-N 1 0 359.513 5.685 50 0 FKAARO Clc1cccc(Cl)c1COc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000040738383 571095271 /nfs/dbraw/zinc/09/52/71/571095271.db2.gz PLLGRILFCPQARM-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1cccc(Cl)c1COc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000040738385 208266410 /nfs/dbraw/zinc/26/64/10/208266410.db2.gz QGBQEBHVYFKXFH-UHFFFAOYSA-N 1 0 364.316 5.995 50 0 FKAARO Clc1cccc(Cl)c1COc1cccc(C[NH2+]C2CCCC2)c1 ZINC000040738402 571095267 /nfs/dbraw/zinc/09/52/67/571095267.db2.gz VPEYRUQPCGBYHP-UHFFFAOYSA-N 1 0 350.289 5.605 50 0 FKAARO Clc1cccc(Cl)c1COc1cccc(C[NH2+]Cc2cccnc2)c1 ZINC000040738407 208265975 /nfs/dbraw/zinc/26/59/75/208265975.db2.gz FKLMMTFWKLIIEP-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO CCOCCC[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040738421 205079013 /nfs/dbraw/zinc/07/90/13/205079013.db2.gz NWUWVDCTPYZQGQ-UHFFFAOYSA-N 1 0 368.304 5.089 50 0 FKAARO CCCCC[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040738426 211757041 /nfs/dbraw/zinc/75/70/41/211757041.db2.gz QIGHCBFADJDADA-UHFFFAOYSA-N 1 0 352.305 5.852 50 0 FKAARO CCCCCC[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040738428 205079344 /nfs/dbraw/zinc/07/93/44/205079344.db2.gz YYQGNRIMTZBWAP-UHFFFAOYSA-N 1 0 366.332 6.242 50 0 FKAARO Clc1cccc(Cl)c1COc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000040738469 571095163 /nfs/dbraw/zinc/09/51/63/571095163.db2.gz QDYMRUYJSFJWKN-UHFFFAOYSA-N 1 0 362.256 5.455 50 0 FKAARO Clc1cccc(Cl)c1COc1cccc(C[NH2+]Cc2ccccn2)c1 ZINC000040738487 571095140 /nfs/dbraw/zinc/09/51/40/571095140.db2.gz GZRLPOGSXJVYEP-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO Clc1cccc(Cl)c1COc1cccc(C[NH2+]Cc2ccncc2)c1 ZINC000040738489 205078367 /nfs/dbraw/zinc/07/83/67/205078367.db2.gz KBXHQASJSAHSRD-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO CC(C)CC[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040738507 571095331 /nfs/dbraw/zinc/09/53/31/571095331.db2.gz BPRAIHQLQVNJPH-UHFFFAOYSA-N 1 0 352.305 5.708 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040738509 571095168 /nfs/dbraw/zinc/09/51/68/571095168.db2.gz LDHUZTJYKSZJRH-UHFFFAOYSA-N 1 0 352.305 5.851 50 0 FKAARO Fc1ccc(COc2cccc(C[NH2+]Cc3ccccc3)c2)c(Cl)c1 ZINC000040738519 211757919 /nfs/dbraw/zinc/75/79/19/211757919.db2.gz IHXJGGIQBHLKHU-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO C[C@H]([NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1)c1ccccc1 ZINC000040738535 571095172 /nfs/dbraw/zinc/09/51/72/571095172.db2.gz JNTZXPVQLGHXEB-INIZCTEOSA-N 1 0 369.867 5.909 50 0 FKAARO C[C@@H]([NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1)c1ccccc1 ZINC000040738537 571095342 /nfs/dbraw/zinc/09/53/42/571095342.db2.gz JNTZXPVQLGHXEB-MRXNPFEDSA-N 1 0 369.867 5.909 50 0 FKAARO Fc1ccc(COc2cccc(C[NH2+]CCc3ccccc3)c2)c(Cl)c1 ZINC000040738545 205079176 /nfs/dbraw/zinc/07/91/76/205079176.db2.gz OGGRCBJUSUYAEV-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(COc2cccc(C[NH2+]Cc3cccs3)c2)c(Cl)c1 ZINC000040738558 208265743 /nfs/dbraw/zinc/26/57/43/208265743.db2.gz AHQNCZJIZRYWPP-UHFFFAOYSA-N 1 0 361.869 5.409 50 0 FKAARO Fc1ccc(C[NH2+]Cc2cccc(OCc3ccc(F)cc3Cl)c2)cc1 ZINC000040738589 571095212 /nfs/dbraw/zinc/09/52/12/571095212.db2.gz JPPSOOOTHJWXBC-UHFFFAOYSA-N 1 0 373.830 5.487 50 0 FKAARO Fc1ccc(COc2cccc(C[NH2+]C3CCCCCC3)c2)c(Cl)c1 ZINC000040738600 571095275 /nfs/dbraw/zinc/09/52/75/571095275.db2.gz ZWYPDGIWSIIMNB-UHFFFAOYSA-N 1 0 361.888 5.871 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cccc(OCc3ccc(F)cc3Cl)c2)cc1 ZINC000040738611 208265029 /nfs/dbraw/zinc/26/50/29/208265029.db2.gz VLQIULKECRVFLO-UHFFFAOYSA-N 1 0 369.867 5.656 50 0 FKAARO Fc1ccc(COc2cccc(C[NH2+]CCC3=CCCCC3)c2)c(Cl)c1 ZINC000040738643 571095220 /nfs/dbraw/zinc/09/52/20/571095220.db2.gz YSIRCZNYOOKEQZ-UHFFFAOYSA-N 1 0 373.899 6.038 50 0 FKAARO Fc1cccc(Cl)c1COc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000040738657 205078941 /nfs/dbraw/zinc/07/89/41/205078941.db2.gz JHJCFOHNKLLKSI-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO C[C@H]([NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1)c1ccccc1 ZINC000040738671 208265828 /nfs/dbraw/zinc/26/58/28/208265828.db2.gz RDLPIRFWSNQVNY-INIZCTEOSA-N 1 0 369.867 5.909 50 0 FKAARO C[C@@H]([NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1)c1ccccc1 ZINC000040738673 571095199 /nfs/dbraw/zinc/09/51/99/571095199.db2.gz RDLPIRFWSNQVNY-MRXNPFEDSA-N 1 0 369.867 5.909 50 0 FKAARO Fc1cccc(Cl)c1COc1cccc(C[NH2+]CCc2ccccc2)c1 ZINC000040738681 205078646 /nfs/dbraw/zinc/07/86/46/205078646.db2.gz HFIPPXJRFFVODN-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1cccc(Cl)c1COc1cccc(C[NH2+]Cc2cccs2)c1 ZINC000040738693 571095285 /nfs/dbraw/zinc/09/52/85/571095285.db2.gz IOKMZGPFRWLIET-UHFFFAOYSA-N 1 0 361.869 5.409 50 0 FKAARO Fc1ccc(C[NH2+]Cc2cccc(OCc3c(F)cccc3Cl)c2)cc1 ZINC000040738722 205078513 /nfs/dbraw/zinc/07/85/13/205078513.db2.gz YAIXHYVAJSKZKV-UHFFFAOYSA-N 1 0 373.830 5.487 50 0 FKAARO Fc1cccc(Cl)c1COc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000040738732 571095147 /nfs/dbraw/zinc/09/51/47/571095147.db2.gz DVCXLDJBZSPZAI-UHFFFAOYSA-N 1 0 361.888 5.871 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cccc(OCc3c(F)cccc3Cl)c2)cc1 ZINC000040738742 205078271 /nfs/dbraw/zinc/07/82/71/205078271.db2.gz ALAGJIDVDXMXOE-UHFFFAOYSA-N 1 0 369.867 5.656 50 0 FKAARO Fc1cccc(Cl)c1COc1cccc(C[NH2+]CCC2=CCCCC2)c1 ZINC000040738775 211757561 /nfs/dbraw/zinc/75/75/61/211757561.db2.gz OEROIPOZSOLWBG-UHFFFAOYSA-N 1 0 373.899 6.038 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]Cc3ccccc3)c2)cc1Cl ZINC000040738789 205078930 /nfs/dbraw/zinc/07/89/30/205078930.db2.gz JVSCZVVNLFOQCS-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]C3CCCCC3)c2)cc1Cl ZINC000040738792 220920355 /nfs/dbraw/zinc/92/03/55/220920355.db2.gz YBLQFJUIUFLYNP-UHFFFAOYSA-N 1 0 364.316 5.995 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]C3CCCC3)c2)cc1Cl ZINC000040738810 208265069 /nfs/dbraw/zinc/26/50/69/208265069.db2.gz XUQRXSCOIUOREE-UHFFFAOYSA-N 1 0 350.289 5.605 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]Cc3cccnc3)c2)cc1Cl ZINC000040738816 571095257 /nfs/dbraw/zinc/09/52/57/571095257.db2.gz CBGPUCYRTUCMBK-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO CCOCCC[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040738831 571095145 /nfs/dbraw/zinc/09/51/45/571095145.db2.gz TVJVZKJOIGQTNM-UHFFFAOYSA-N 1 0 368.304 5.089 50 0 FKAARO CCCCC[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040738835 208265689 /nfs/dbraw/zinc/26/56/89/208265689.db2.gz PKFOCOXFGOPCDZ-UHFFFAOYSA-N 1 0 352.305 5.852 50 0 FKAARO CCCCCC[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040738837 208265839 /nfs/dbraw/zinc/26/58/39/208265839.db2.gz UDPLVIOCYZDVDR-UHFFFAOYSA-N 1 0 366.332 6.242 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]Cc3ccco3)c2)cc1Cl ZINC000040738877 571095134 /nfs/dbraw/zinc/09/51/34/571095134.db2.gz HYMCKFZSVUMIAG-UHFFFAOYSA-N 1 0 362.256 5.455 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]Cc3ccccn3)c2)cc1Cl ZINC000040738895 208266365 /nfs/dbraw/zinc/26/63/65/208266365.db2.gz XNPRIEJQYKTXGW-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO Clc1ccc(COc2cccc(C[NH2+]Cc3ccncc3)c2)cc1Cl ZINC000040738897 571095205 /nfs/dbraw/zinc/09/52/05/571095205.db2.gz AULSYHOTTZUCCR-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO CC(C)CC[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040738915 208266750 /nfs/dbraw/zinc/26/67/50/208266750.db2.gz ZIVBUBKVKWAEHK-UHFFFAOYSA-N 1 0 352.305 5.708 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040738917 571095240 /nfs/dbraw/zinc/09/52/40/571095240.db2.gz WBQDMDZMDGEALC-UHFFFAOYSA-N 1 0 352.305 5.851 50 0 FKAARO C[C@H]([NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccccc1 ZINC000040738941 571095347 /nfs/dbraw/zinc/09/53/47/571095347.db2.gz CPHSJHNFYZNOCX-KRWDZBQOSA-N 1 0 351.877 5.770 50 0 FKAARO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccccc1 ZINC000040738943 205080072 /nfs/dbraw/zinc/08/00/72/205080072.db2.gz CPHSJHNFYZNOCX-QGZVFWFLSA-N 1 0 351.877 5.770 50 0 FKAARO Clc1cccc(COc2cccc(C[NH2+]Cc3ccccc3Cl)c2)c1 ZINC000040738947 571095252 /nfs/dbraw/zinc/09/52/52/571095252.db2.gz CCSLWHCWKHGRNS-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1cccc(COc2cccc(C[NH2+]CCc3ccccc3)c2)c1 ZINC000040738949 208266776 /nfs/dbraw/zinc/26/67/76/208266776.db2.gz WRAWPMZMXOWRDQ-UHFFFAOYSA-N 1 0 351.877 5.251 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000040738978 571095138 /nfs/dbraw/zinc/09/51/38/571095138.db2.gz VELFMHHFOBRZPG-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2cccc(OCc3cccc(Cl)c3)c2)cc1 ZINC000040738980 571095153 /nfs/dbraw/zinc/09/51/53/571095153.db2.gz PZMHLWWZXTYOFD-UHFFFAOYSA-N 1 0 369.867 5.390 50 0 FKAARO Fc1ccc(C[NH2+]Cc2cccc(OCc3cccc(Cl)c3)c2)cc1 ZINC000040738984 205080554 /nfs/dbraw/zinc/08/05/54/205080554.db2.gz OZMISPBACFNVBH-UHFFFAOYSA-N 1 0 355.840 5.348 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000040738996 205079618 /nfs/dbraw/zinc/07/96/18/205079618.db2.gz BFLVQIPBTCPJGS-UHFFFAOYSA-N 1 0 359.941 6.223 50 0 FKAARO Clc1cccc(COc2cccc(C[NH2+]C3CCCCCCC3)c2)c1 ZINC000040738998 571095583 /nfs/dbraw/zinc/09/55/83/571095583.db2.gz DGCRIJHXLAGBIT-UHFFFAOYSA-N 1 0 357.925 6.122 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cccc(OCc3cccc(Cl)c3)c2)cc1 ZINC000040739002 571095626 /nfs/dbraw/zinc/09/56/26/571095626.db2.gz QBRPFVGYOBINLO-UHFFFAOYSA-N 1 0 351.877 5.517 50 0 FKAARO COc1ccc(C[NH2+]Cc2cccc(OCc3cccc(Cl)c3)c2)cc1 ZINC000040739004 571095717 /nfs/dbraw/zinc/09/57/17/571095717.db2.gz IAXNHMHIIAJBAO-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO CCCCOCCC[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000040739022 211757287 /nfs/dbraw/zinc/75/72/87/211757287.db2.gz NKPHNEWVQQRROO-UHFFFAOYSA-N 1 0 361.913 5.215 50 0 FKAARO COc1ccccc1C[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000040739024 571095742 /nfs/dbraw/zinc/09/57/42/571095742.db2.gz AKHCZUIRUDKECU-UHFFFAOYSA-N 1 0 367.876 5.217 50 0 FKAARO Clc1cccc(COc2cccc(C[NH2+]CCC3=CCCCC3)c2)c1 ZINC000040739034 208266242 /nfs/dbraw/zinc/26/62/42/208266242.db2.gz PGBXRLXSTAUBFW-UHFFFAOYSA-N 1 0 355.909 5.899 50 0 FKAARO Cc1cccc(COc2ccc(Br)cc2C[NH2+]C(C)(C)C)c1 ZINC000040739194 571237822 /nfs/dbraw/zinc/23/78/22/571237822.db2.gz ZKMWUMGHANNSAE-UHFFFAOYSA-N 1 0 362.311 5.225 50 0 FKAARO CCCC[NH2+]Cc1cc(Br)ccc1OCc1cccc(C)c1 ZINC000040739210 205080842 /nfs/dbraw/zinc/08/08/42/205080842.db2.gz XCSQMBSLYKUEPR-UHFFFAOYSA-N 1 0 362.311 5.226 50 0 FKAARO Cc1cccc(COc2ccc(Br)cc2C[NH2+]C2CCCC2)c1 ZINC000040739212 571095762 /nfs/dbraw/zinc/09/57/62/571095762.db2.gz QCJVPWRXYRNWTA-UHFFFAOYSA-N 1 0 374.322 5.369 50 0 FKAARO Cc1cccc(COc2ccc(Br)cc2C[NH2+]CC(C)C)c1 ZINC000040739238 220920149 /nfs/dbraw/zinc/92/01/49/220920149.db2.gz MFZPKWDBPANWNM-UHFFFAOYSA-N 1 0 362.311 5.082 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OCc1cccc(C)c1 ZINC000040739240 205079704 /nfs/dbraw/zinc/07/97/04/205079704.db2.gz DXZXTZIIKICOKN-OAHLLOKOSA-N 1 0 362.311 5.225 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Br)ccc1OCc1cccc(C)c1 ZINC000040739242 571095620 /nfs/dbraw/zinc/09/56/20/571095620.db2.gz DXZXTZIIKICOKN-HNNXBMFYSA-N 1 0 362.311 5.225 50 0 FKAARO Cc1ccccc1COc1ccc(Br)cc1C[NH2+]C(C)(C)C ZINC000040739327 571237736 /nfs/dbraw/zinc/23/77/36/571237736.db2.gz HNOWQVZYTBFFCC-UHFFFAOYSA-N 1 0 362.311 5.225 50 0 FKAARO CCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1C ZINC000040739343 571095460 /nfs/dbraw/zinc/09/54/60/571095460.db2.gz HUJZSEMVOXBJTF-UHFFFAOYSA-N 1 0 362.311 5.226 50 0 FKAARO Cc1ccccc1COc1ccc(Br)cc1C[NH2+]C1CCCC1 ZINC000040739345 208266174 /nfs/dbraw/zinc/26/61/74/208266174.db2.gz SMJRCRZZFMNUKQ-UHFFFAOYSA-N 1 0 374.322 5.369 50 0 FKAARO Cc1ccccc1COc1ccc(Br)cc1C[NH2+]CC(C)C ZINC000040739371 571237805 /nfs/dbraw/zinc/23/78/05/571237805.db2.gz OGDNJWLMNRCKQU-UHFFFAOYSA-N 1 0 362.311 5.082 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1C ZINC000040739372 571095660 /nfs/dbraw/zinc/09/56/60/571095660.db2.gz DTKQRHWSQBUTKL-OAHLLOKOSA-N 1 0 362.311 5.225 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1C ZINC000040739374 571095633 /nfs/dbraw/zinc/09/56/33/571095633.db2.gz DTKQRHWSQBUTKL-HNNXBMFYSA-N 1 0 362.311 5.225 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1cccc(C)c1 ZINC000040741817 208265394 /nfs/dbraw/zinc/26/53/94/208265394.db2.gz DELZYZLHIVHNFC-UHFFFAOYSA-N 1 0 361.913 5.514 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2cccc(C)c2)c(OCC)c1 ZINC000040741825 205080246 /nfs/dbraw/zinc/08/02/46/205080246.db2.gz JMEVRYGDHFVUNB-UHFFFAOYSA-N 1 0 361.913 5.516 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1cccc(C)c1 ZINC000040741826 208266487 /nfs/dbraw/zinc/26/64/87/208266487.db2.gz ACYUWHCMVLIRKU-UHFFFAOYSA-N 1 0 373.924 5.658 50 0 FKAARO CCOc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1cccc(C)c1 ZINC000040741841 208266592 /nfs/dbraw/zinc/26/65/92/208266592.db2.gz ZSVKPXNVUDUXTB-UHFFFAOYSA-N 1 0 361.913 5.372 50 0 FKAARO CCOc1cc(C[NH2+][C@H](C)CC)cc(Cl)c1OCc1cccc(C)c1 ZINC000040741842 571095680 /nfs/dbraw/zinc/09/56/80/571095680.db2.gz SCTCKXKLAJRODP-MRXNPFEDSA-N 1 0 361.913 5.514 50 0 FKAARO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Cl)c1OCc1cccc(C)c1 ZINC000040741843 571095674 /nfs/dbraw/zinc/09/56/74/571095674.db2.gz SCTCKXKLAJRODP-INIZCTEOSA-N 1 0 361.913 5.514 50 0 FKAARO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccccc1C ZINC000040741887 205079901 /nfs/dbraw/zinc/07/99/01/205079901.db2.gz LHCWSUBAARCORP-UHFFFAOYSA-N 1 0 361.913 5.514 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2C)c(OCC)c1 ZINC000040741895 571095605 /nfs/dbraw/zinc/09/56/05/571095605.db2.gz SGDFDRLJPKOIFE-UHFFFAOYSA-N 1 0 361.913 5.516 50 0 FKAARO CCOc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccccc1C ZINC000040741896 205079954 /nfs/dbraw/zinc/07/99/54/205079954.db2.gz NQIGXAMNKXIKJG-UHFFFAOYSA-N 1 0 373.924 5.658 50 0 FKAARO CCOc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccccc1C ZINC000040741911 211757909 /nfs/dbraw/zinc/75/79/09/211757909.db2.gz LLXIXXVRVJXTBB-UHFFFAOYSA-N 1 0 361.913 5.372 50 0 FKAARO CCOc1cc(C[NH2+][C@H](C)CC)cc(Cl)c1OCc1ccccc1C ZINC000040741912 208265253 /nfs/dbraw/zinc/26/52/53/208265253.db2.gz INZRGQDVKAASIH-MRXNPFEDSA-N 1 0 361.913 5.514 50 0 FKAARO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Cl)c1OCc1ccccc1C ZINC000040741913 208266030 /nfs/dbraw/zinc/26/60/30/208266030.db2.gz INZRGQDVKAASIH-INIZCTEOSA-N 1 0 361.913 5.514 50 0 FKAARO CC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(OCC)c1 ZINC000040742042 571095506 /nfs/dbraw/zinc/09/55/06/571095506.db2.gz ITZVEDHMOBZYMH-UHFFFAOYSA-N 1 0 372.267 5.220 50 0 FKAARO CC[NH2+]Cc1cc(Cl)c(OCc2c(F)cccc2Cl)c(OCC)c1 ZINC000040742107 205080616 /nfs/dbraw/zinc/08/06/16/205080616.db2.gz HYLZDSPIFGTUGP-UHFFFAOYSA-N 1 0 372.267 5.220 50 0 FKAARO CC[NH2+]Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OCC)c1 ZINC000040742236 571095482 /nfs/dbraw/zinc/09/54/82/571095482.db2.gz SRJBRMFMARGIKW-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO CCC[NH2+]Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OCC)c1 ZINC000040742237 205080483 /nfs/dbraw/zinc/08/04/83/205080483.db2.gz CKGCUFCQNHTYFB-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCOc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040742254 571095586 /nfs/dbraw/zinc/09/55/86/571095586.db2.gz RASGCZQDULQKBS-UHFFFAOYSA-N 1 0 366.288 5.223 50 0 FKAARO CCOc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040742264 205080000 /nfs/dbraw/zinc/08/00/00/205080000.db2.gz ZIRQHORATWHKCQ-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO COc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1cccc(C)c1 ZINC000040742349 208266584 /nfs/dbraw/zinc/26/65/84/208266584.db2.gz KFFLAVZHSYGXSU-UHFFFAOYSA-N 1 0 373.924 5.658 50 0 FKAARO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1cccc(C)c1 ZINC000040742359 571095474 /nfs/dbraw/zinc/09/54/74/571095474.db2.gz FORGZHLXPRKSNO-UHFFFAOYSA-N 1 0 359.897 5.268 50 0 FKAARO CCCCC[NH2+]Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040742371 205079987 /nfs/dbraw/zinc/07/99/87/205079987.db2.gz OLSRASFBGJLRIL-UHFFFAOYSA-N 1 0 361.913 5.516 50 0 FKAARO COc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1cccc(C)c1 ZINC000040742411 205080621 /nfs/dbraw/zinc/08/06/21/205080621.db2.gz ALUMWLZBBIVCBG-UHFFFAOYSA-N 1 0 361.913 5.372 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040742412 205079562 /nfs/dbraw/zinc/07/95/62/205079562.db2.gz UBWVIGPIVQANOW-UHFFFAOYSA-N 1 0 361.913 5.514 50 0 FKAARO COc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1ccccc1C ZINC000040742418 208266813 /nfs/dbraw/zinc/26/68/13/208266813.db2.gz NOWYJMUVKNTYPS-UHFFFAOYSA-N 1 0 373.924 5.658 50 0 FKAARO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1ccccc1C ZINC000040742428 205080296 /nfs/dbraw/zinc/08/02/96/205080296.db2.gz LILTXKGSUBNAOP-UHFFFAOYSA-N 1 0 359.897 5.268 50 0 FKAARO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2C)c(OC)c1 ZINC000040742440 571095689 /nfs/dbraw/zinc/09/56/89/571095689.db2.gz WFIFMXDUGOJGTA-UHFFFAOYSA-N 1 0 361.913 5.516 50 0 FKAARO COc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccccc1C ZINC000040742480 211757852 /nfs/dbraw/zinc/75/78/52/211757852.db2.gz ACRPXQMPBPJISR-UHFFFAOYSA-N 1 0 361.913 5.372 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2C)c(OC)c1 ZINC000040742481 571095723 /nfs/dbraw/zinc/09/57/23/571095723.db2.gz MEAOBEVSHLZDNE-UHFFFAOYSA-N 1 0 361.913 5.514 50 0 FKAARO CC[NH2+]Cc1cc(Cl)c(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000040742508 220919305 /nfs/dbraw/zinc/91/93/05/220919305.db2.gz KQOFOSHTUPGIKY-UHFFFAOYSA-N 1 0 374.695 5.344 50 0 FKAARO CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000040742575 571238438 /nfs/dbraw/zinc/23/84/38/571238438.db2.gz WXIJWGZLEWAVNT-UHFFFAOYSA-N 1 0 372.267 5.220 50 0 FKAARO COc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000040742602 571238839 /nfs/dbraw/zinc/23/88/39/571238839.db2.gz ZQXULUTVYNIUFQ-UHFFFAOYSA-N 1 0 372.267 5.218 50 0 FKAARO CCC[NH2+]Cc1cc(Cl)c(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000040742643 220919621 /nfs/dbraw/zinc/91/96/21/220919621.db2.gz DCAOQSQVSSXWGL-UHFFFAOYSA-N 1 0 372.267 5.220 50 0 FKAARO COc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1c(F)cccc1Cl ZINC000040742670 220919270 /nfs/dbraw/zinc/91/92/70/220919270.db2.gz CRTVYBYLDIWHMU-UHFFFAOYSA-N 1 0 372.267 5.218 50 0 FKAARO CC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000040742710 571238525 /nfs/dbraw/zinc/23/85/25/571238525.db2.gz LENZIOUVBHHGQK-UHFFFAOYSA-N 1 0 374.695 5.344 50 0 FKAARO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040742755 571238628 /nfs/dbraw/zinc/23/86/28/571238628.db2.gz GQCKKUBRXGCRQE-UHFFFAOYSA-N 1 0 368.304 5.469 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000040742763 220920397 /nfs/dbraw/zinc/92/03/97/220920397.db2.gz YXJKRTDSGHLOTG-UHFFFAOYSA-N 1 0 368.304 5.471 50 0 FKAARO CCC[NH2+]Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000040742776 220920351 /nfs/dbraw/zinc/92/03/51/220920351.db2.gz CYIDESUSNXPBAY-UHFFFAOYSA-N 1 0 354.277 5.081 50 0 FKAARO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040742779 208971883 /nfs/dbraw/zinc/97/18/83/208971883.db2.gz ATZYMFOCHBFVCW-UHFFFAOYSA-N 1 0 368.304 5.327 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000040742780 205080568 /nfs/dbraw/zinc/08/05/68/205080568.db2.gz ZMEDYXDGUQFVEH-CYBMUJFWSA-N 1 0 368.304 5.469 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000040742781 205079930 /nfs/dbraw/zinc/07/99/30/205079930.db2.gz ZMEDYXDGUQFVEH-ZDUSSCGKSA-N 1 0 368.304 5.469 50 0 FKAARO COc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040742804 571238666 /nfs/dbraw/zinc/23/86/66/571238666.db2.gz MSFXOVYSRRRZCO-UHFFFAOYSA-N 1 0 354.277 5.079 50 0 FKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccccc2)c1 ZINC000040742891 571095694 /nfs/dbraw/zinc/09/56/94/571095694.db2.gz YYKCJBZQTJGQPY-UHFFFAOYSA-N 1 0 351.877 5.517 50 0 FKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000040742898 205080380 /nfs/dbraw/zinc/08/03/80/205080380.db2.gz PTRCTDIIEZJLSO-SFHVURJKSA-N 1 0 365.904 6.078 50 0 FKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+][C@H](C)c2ccccc2)c1 ZINC000040742899 205080528 /nfs/dbraw/zinc/08/05/28/205080528.db2.gz PTRCTDIIEZJLSO-GOSISDBHSA-N 1 0 365.904 6.078 50 0 FKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]CCc2ccccc2)c1 ZINC000040742903 571095592 /nfs/dbraw/zinc/09/55/92/571095592.db2.gz JRIOUBQANRXMOO-UHFFFAOYSA-N 1 0 365.904 5.560 50 0 FKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]Cc2cccs2)c1 ZINC000040742909 208266722 /nfs/dbraw/zinc/26/67/22/208266722.db2.gz DKQIXVKIBMGGEC-UHFFFAOYSA-N 1 0 357.906 5.579 50 0 FKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccc(F)cc2)c1 ZINC000040742923 205080085 /nfs/dbraw/zinc/08/00/85/205080085.db2.gz HUCFPGKKKRABKR-UHFFFAOYSA-N 1 0 369.867 5.656 50 0 FKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCCC2)c1 ZINC000040742928 205080780 /nfs/dbraw/zinc/08/07/80/205080780.db2.gz BHHRHIYJWJTMBJ-UHFFFAOYSA-N 1 0 357.925 6.040 50 0 FKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000040742930 205080238 /nfs/dbraw/zinc/08/02/38/205080238.db2.gz SIEQLAFIFCMGMB-UHFFFAOYSA-N 1 0 373.968 6.532 50 0 FKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCCCC2)c1 ZINC000040742931 208264958 /nfs/dbraw/zinc/26/49/58/208264958.db2.gz XOMOZBYCFVWFMF-UHFFFAOYSA-N 1 0 371.952 6.430 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2cccc(C)c2)cc1 ZINC000040742933 571095666 /nfs/dbraw/zinc/09/56/66/571095666.db2.gz DZYQXMRAAGEFSP-UHFFFAOYSA-N 1 0 365.904 5.826 50 0 FKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]CCCOC(C)C)c1 ZINC000040742946 208266377 /nfs/dbraw/zinc/26/63/77/208266377.db2.gz YCKLAEAWYYBWPJ-UHFFFAOYSA-N 1 0 361.913 5.132 50 0 FKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]CCC2=CCCCC2)c1 ZINC000040742949 205079891 /nfs/dbraw/zinc/07/98/91/205079891.db2.gz HMIBYWSIURBXPS-UHFFFAOYSA-N 1 0 369.936 6.208 50 0 FKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]Cc1ccccc1 ZINC000040742956 208268691 /nfs/dbraw/zinc/26/86/91/208268691.db2.gz ZCRWNOPGGMRWRB-UHFFFAOYSA-N 1 0 351.877 5.517 50 0 FKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000040742963 208268115 /nfs/dbraw/zinc/26/81/15/208268115.db2.gz DFTWYAXBGSRWLK-SFHVURJKSA-N 1 0 365.904 6.078 50 0 FKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000040742964 208267617 /nfs/dbraw/zinc/26/76/17/208267617.db2.gz DFTWYAXBGSRWLK-GOSISDBHSA-N 1 0 365.904 6.078 50 0 FKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCc1ccccc1 ZINC000040742968 205080110 /nfs/dbraw/zinc/08/01/10/205080110.db2.gz LAXKBHLUIGCEEN-UHFFFAOYSA-N 1 0 365.904 5.560 50 0 FKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]Cc1cccs1 ZINC000040742974 571095645 /nfs/dbraw/zinc/09/56/45/571095645.db2.gz GIVBQHYMSPCVKW-UHFFFAOYSA-N 1 0 357.906 5.579 50 0 FKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000040742988 571095642 /nfs/dbraw/zinc/09/56/42/571095642.db2.gz MVJGWHUCGJJQNW-UHFFFAOYSA-N 1 0 369.867 5.656 50 0 FKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000040742996 571095466 /nfs/dbraw/zinc/09/54/66/571095466.db2.gz ZSLWSCFLAIGXFA-UHFFFAOYSA-N 1 0 357.925 6.040 50 0 FKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000040743000 208268423 /nfs/dbraw/zinc/26/84/23/208268423.db2.gz ISOZRKNPWVIRIE-UHFFFAOYSA-N 1 0 373.968 6.532 50 0 FKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]C1CCCCCCC1 ZINC000040743002 208268945 /nfs/dbraw/zinc/26/89/45/208268945.db2.gz WXQNVFQBIMEMTQ-UHFFFAOYSA-N 1 0 371.952 6.430 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2C)cc1 ZINC000040743007 208267737 /nfs/dbraw/zinc/26/77/37/208267737.db2.gz RPYSMKQJFVOVGH-UHFFFAOYSA-N 1 0 365.904 5.826 50 0 FKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCCOC(C)C ZINC000040743032 208267195 /nfs/dbraw/zinc/26/71/95/208267195.db2.gz AUSIMPTZAQRADB-UHFFFAOYSA-N 1 0 361.913 5.132 50 0 FKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCC1=CCCCC1 ZINC000040743038 571095754 /nfs/dbraw/zinc/09/57/54/571095754.db2.gz FQTJVWWEMWSHRZ-UHFFFAOYSA-N 1 0 369.936 6.208 50 0 FKAARO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040743055 571238761 /nfs/dbraw/zinc/23/87/61/571238761.db2.gz CJHRDCZYWHQYRX-UHFFFAOYSA-N 1 0 372.723 6.114 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040743071 571095711 /nfs/dbraw/zinc/09/57/11/571095711.db2.gz VOSVYGDCJIEFHE-UHFFFAOYSA-N 1 0 372.723 6.116 50 0 FKAARO CCC[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040743096 571238855 /nfs/dbraw/zinc/23/88/55/571238855.db2.gz SBWZWCAYHFFVJG-UHFFFAOYSA-N 1 0 358.696 5.725 50 0 FKAARO CC(C)C[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040743102 571238848 /nfs/dbraw/zinc/23/88/48/571238848.db2.gz QXDUWOOVSXCVFO-UHFFFAOYSA-N 1 0 372.723 5.971 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040743104 205080279 /nfs/dbraw/zinc/08/02/79/205080279.db2.gz YHQSAVKSYCDJRE-GFCCVEGCSA-N 1 0 372.723 6.114 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040743106 208267872 /nfs/dbraw/zinc/26/78/72/208267872.db2.gz YHQSAVKSYCDJRE-LBPRGKRZSA-N 1 0 372.723 6.114 50 0 FKAARO Clc1ccc(OCc2c(Cl)cccc2Cl)c(C[NH2+]C2CC2)c1 ZINC000040743126 571238728 /nfs/dbraw/zinc/23/87/28/571238728.db2.gz HTXXBOKTRFWUBK-UHFFFAOYSA-N 1 0 356.680 5.478 50 0 FKAARO CC(C)[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040743144 571238841 /nfs/dbraw/zinc/23/88/41/571238841.db2.gz JKNUYTQVSWWEKV-UHFFFAOYSA-N 1 0 358.696 5.724 50 0 FKAARO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743180 571238607 /nfs/dbraw/zinc/23/86/07/571238607.db2.gz ITCLDLSVBHLQRN-UHFFFAOYSA-N 1 0 356.268 5.600 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743194 571095470 /nfs/dbraw/zinc/09/54/70/571095470.db2.gz TZMSIMJYMOQEKR-UHFFFAOYSA-N 1 0 356.268 5.601 50 0 FKAARO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCC2)c(Cl)c1 ZINC000040743195 571095640 /nfs/dbraw/zinc/09/56/40/571095640.db2.gz AWERPLNPARQZJL-UHFFFAOYSA-N 1 0 368.279 5.744 50 0 FKAARO CCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743217 571095553 /nfs/dbraw/zinc/09/55/53/571095553.db2.gz MONLAKWBXTYSEY-UHFFFAOYSA-N 1 0 370.295 5.991 50 0 FKAARO CC(C)C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743220 571238638 /nfs/dbraw/zinc/23/86/38/571238638.db2.gz KTAUIBXDAQIXON-UHFFFAOYSA-N 1 0 356.268 5.457 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743222 571095765 /nfs/dbraw/zinc/09/57/65/571095765.db2.gz YRQVCPYAOAOHSH-GFCCVEGCSA-N 1 0 356.268 5.600 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743224 208269063 /nfs/dbraw/zinc/26/90/63/208269063.db2.gz YRQVCPYAOAOHSH-LBPRGKRZSA-N 1 0 356.268 5.600 50 0 FKAARO CC(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743286 205080831 /nfs/dbraw/zinc/08/08/31/205080831.db2.gz MYFDDKZBBCMXBJ-UHFFFAOYSA-N 1 0 370.295 5.847 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743287 571096152 /nfs/dbraw/zinc/09/61/52/571096152.db2.gz ZMDGOFXDMQZKGI-UHFFFAOYSA-N 1 0 370.295 5.990 50 0 FKAARO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743300 571238629 /nfs/dbraw/zinc/23/86/29/571238629.db2.gz XUNKEKMSEYMVKD-UHFFFAOYSA-N 1 0 356.268 5.600 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743312 208267438 /nfs/dbraw/zinc/26/74/38/208267438.db2.gz UDJASVDNUXSRDC-UHFFFAOYSA-N 1 0 356.268 5.601 50 0 FKAARO Fc1cccc(Cl)c1COc1ccc(Cl)cc1C[NH2+]C1CCCC1 ZINC000040743314 571096071 /nfs/dbraw/zinc/09/60/71/571096071.db2.gz FEKPNQUMOMWNNY-UHFFFAOYSA-N 1 0 368.279 5.744 50 0 FKAARO CCCCC[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743336 205079719 /nfs/dbraw/zinc/07/97/19/205079719.db2.gz DVUSFHVROJRZGU-UHFFFAOYSA-N 1 0 370.295 5.991 50 0 FKAARO CC(C)C[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743340 571238660 /nfs/dbraw/zinc/23/86/60/571238660.db2.gz CHNYRZBLQLCIJW-UHFFFAOYSA-N 1 0 356.268 5.457 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743341 205079860 /nfs/dbraw/zinc/07/98/60/205079860.db2.gz KTLIXNOHWOVONW-GFCCVEGCSA-N 1 0 356.268 5.600 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743342 205080873 /nfs/dbraw/zinc/08/08/73/205080873.db2.gz KTLIXNOHWOVONW-LBPRGKRZSA-N 1 0 356.268 5.600 50 0 FKAARO CC(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743405 205080329 /nfs/dbraw/zinc/08/03/29/205080329.db2.gz CAJWOQLAFRWKCQ-UHFFFAOYSA-N 1 0 370.295 5.847 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743407 571095888 /nfs/dbraw/zinc/09/58/88/571095888.db2.gz OVVWSNUMSJQYJF-UHFFFAOYSA-N 1 0 370.295 5.990 50 0 FKAARO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743420 571238536 /nfs/dbraw/zinc/23/85/36/571238536.db2.gz LNMRRKHVLYYNOA-UHFFFAOYSA-N 1 0 372.723 6.114 50 0 FKAARO CCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743433 571096147 /nfs/dbraw/zinc/09/61/47/571096147.db2.gz KPWWCXKRDSUAHS-UHFFFAOYSA-N 1 0 372.723 6.116 50 0 FKAARO CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743448 571150369 /nfs/dbraw/zinc/15/03/69/571150369.db2.gz UHPRVOKFDRMQBP-UHFFFAOYSA-N 1 0 358.696 5.725 50 0 FKAARO CC(C)C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743451 571238861 /nfs/dbraw/zinc/23/88/61/571238861.db2.gz BTVBOQUOEPDQAE-UHFFFAOYSA-N 1 0 372.723 5.971 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743452 205079870 /nfs/dbraw/zinc/07/98/70/205079870.db2.gz LEIBPINOMSKZCH-GFCCVEGCSA-N 1 0 372.723 6.114 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743453 205080037 /nfs/dbraw/zinc/08/00/37/205080037.db2.gz LEIBPINOMSKZCH-LBPRGKRZSA-N 1 0 372.723 6.114 50 0 FKAARO Clc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C[NH2+]C2CC2)c1 ZINC000040743465 571238824 /nfs/dbraw/zinc/23/88/24/571238824.db2.gz OORSRZUVDCJWTL-UHFFFAOYSA-N 1 0 356.680 5.478 50 0 FKAARO CC(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743476 208974342 /nfs/dbraw/zinc/97/43/42/208974342.db2.gz MAATYHFLAXHZKL-UHFFFAOYSA-N 1 0 358.696 5.724 50 0 FKAARO Clc1cccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccccc2)c1 ZINC000040743496 571096046 /nfs/dbraw/zinc/09/60/46/571096046.db2.gz IKSVIYWIJGBCDP-UHFFFAOYSA-N 1 0 372.295 5.862 50 0 FKAARO Clc1cccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCC2)c1 ZINC000040743497 208267754 /nfs/dbraw/zinc/26/77/54/208267754.db2.gz REMMXJMOVJMYTR-UHFFFAOYSA-N 1 0 364.316 5.995 50 0 FKAARO Clc1cccc(COc2ccc(Cl)cc2C[NH2+]C2CCCC2)c1 ZINC000040743506 208267961 /nfs/dbraw/zinc/26/79/61/208267961.db2.gz HJZOHZXOMUVVFD-UHFFFAOYSA-N 1 0 350.289 5.605 50 0 FKAARO CCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743516 208268984 /nfs/dbraw/zinc/26/89/84/208268984.db2.gz SIEZAWZCKKQNGT-UHFFFAOYSA-N 1 0 368.304 5.089 50 0 FKAARO CCCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743518 571096069 /nfs/dbraw/zinc/09/60/69/571096069.db2.gz HWPFYUFHEZNGNL-UHFFFAOYSA-N 1 0 352.305 5.852 50 0 FKAARO CCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743519 205079681 /nfs/dbraw/zinc/07/96/81/205079681.db2.gz GXMRSJVBMXOSKD-UHFFFAOYSA-N 1 0 366.332 6.242 50 0 FKAARO Clc1cccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccncc2)c1 ZINC000040743550 208269234 /nfs/dbraw/zinc/26/92/34/208269234.db2.gz NKZMZMNDMUXRPP-UHFFFAOYSA-N 1 0 373.283 5.257 50 0 FKAARO CC(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743559 571095982 /nfs/dbraw/zinc/09/59/82/571095982.db2.gz GFCAGZRHSNMVNA-UHFFFAOYSA-N 1 0 352.305 5.708 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743560 208267236 /nfs/dbraw/zinc/26/72/36/208267236.db2.gz MTKQSCZRUIMFHF-UHFFFAOYSA-N 1 0 352.305 5.851 50 0 FKAARO C[C@]12CC3CC([NH2+]Cc4cc(Br)cs4)(C1)C[C@@](C)(C3)C2 ZINC000040744356 571238828 /nfs/dbraw/zinc/23/88/28/571238828.db2.gz RSRDBZKSNBKEPX-TWDRJXRQSA-N 1 0 354.357 5.349 50 0 FKAARO Cc1cc(SCCNc2cc(C)[nH+]c3ccccc23)c2ccccc2n1 ZINC000041105092 571107585 /nfs/dbraw/zinc/10/75/85/571107585.db2.gz XYSLJWMLHUWOBC-UHFFFAOYSA-N 1 0 359.498 5.604 50 0 FKAARO Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000041971040 208289844 /nfs/dbraw/zinc/28/98/44/208289844.db2.gz PWXSUJJBCYBWRG-UHFFFAOYSA-N 1 0 368.864 5.243 50 0 FKAARO Cc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 ZINC000042453701 208292782 /nfs/dbraw/zinc/29/27/82/208292782.db2.gz MQUQLEAGXNJXRJ-KRWDZBQOSA-N 1 0 367.443 5.043 50 0 FKAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 ZINC000042453702 571098183 /nfs/dbraw/zinc/09/81/83/571098183.db2.gz MQUQLEAGXNJXRJ-QGZVFWFLSA-N 1 0 367.443 5.043 50 0 FKAARO Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)c(F)c3)C2)s1 ZINC000042484223 205095689 /nfs/dbraw/zinc/09/56/89/205095689.db2.gz FKDYOLPRZZLGRN-OAHLLOKOSA-N 1 0 373.472 5.104 50 0 FKAARO Brc1cc(-c2ccccc2)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042770531 571098687 /nfs/dbraw/zinc/09/86/87/571098687.db2.gz PLJJNSLSESAFPK-KRWDZBQOSA-N 1 0 360.295 5.027 50 0 FKAARO Brc1cc(-c2ccccc2)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042770535 571098577 /nfs/dbraw/zinc/09/85/77/571098577.db2.gz PLJJNSLSESAFPK-QGZVFWFLSA-N 1 0 360.295 5.027 50 0 FKAARO Brc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(-c2ccccc2)c1 ZINC000042770685 205098242 /nfs/dbraw/zinc/09/82/42/205098242.db2.gz FGLVDYHFKKDNLN-KRWDZBQOSA-N 1 0 360.295 5.027 50 0 FKAARO Brc1ccc(OCC[C@H]2CCCC[NH2+]2)c(-c2ccccc2)c1 ZINC000042770691 571098618 /nfs/dbraw/zinc/09/86/18/571098618.db2.gz FGLVDYHFKKDNLN-QGZVFWFLSA-N 1 0 360.295 5.027 50 0 FKAARO CCC(C)(C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770989 571098709 /nfs/dbraw/zinc/09/87/09/571098709.db2.gz BBWOGFZPNUMNFI-HNNXBMFYSA-N 1 0 354.332 5.048 50 0 FKAARO CCC(C)(C)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770992 205098520 /nfs/dbraw/zinc/09/85/20/205098520.db2.gz BBWOGFZPNUMNFI-OAHLLOKOSA-N 1 0 354.332 5.048 50 0 FKAARO CC(C)(c1ccccc1)c1ccc(OCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042771135 211781824 /nfs/dbraw/zinc/78/18/24/211781824.db2.gz OBTNFDRDKYLRJA-UHFFFAOYSA-N 1 0 357.925 5.434 50 0 FKAARO CC(C)(c1ccccc1)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042771139 220941728 /nfs/dbraw/zinc/94/17/28/220941728.db2.gz JZEGCHZJZQHBCY-KRWDZBQOSA-N 1 0 357.925 5.434 50 0 FKAARO CC(C)(c1ccccc1)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042771143 208296268 /nfs/dbraw/zinc/29/62/68/208296268.db2.gz JZEGCHZJZQHBCY-QGZVFWFLSA-N 1 0 357.925 5.434 50 0 FKAARO CC(C)(c1ccccc1)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042771147 208295410 /nfs/dbraw/zinc/29/54/10/208295410.db2.gz QESCJCPREYPAOA-IBGZPJMESA-N 1 0 357.925 5.577 50 0 FKAARO CC(C)(c1ccccc1)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042771151 220941949 /nfs/dbraw/zinc/94/19/49/220941949.db2.gz QESCJCPREYPAOA-LJQANCHMSA-N 1 0 357.925 5.577 50 0 FKAARO Fc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)c1 ZINC000042926008 571099207 /nfs/dbraw/zinc/09/92/07/571099207.db2.gz RZXKACSUNIEBSH-SFHVURJKSA-N 1 0 374.463 5.077 50 0 FKAARO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)c1 ZINC000042926011 571099220 /nfs/dbraw/zinc/09/92/20/571099220.db2.gz RZXKACSUNIEBSH-GOSISDBHSA-N 1 0 374.463 5.077 50 0 FKAARO Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)o1 ZINC000042926032 571099258 /nfs/dbraw/zinc/09/92/58/571099258.db2.gz NNZUWYVTMUFIFP-MRXNPFEDSA-N 1 0 355.869 5.011 50 0 FKAARO Cc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000043022871 571099278 /nfs/dbraw/zinc/09/92/78/571099278.db2.gz AYIZGBFHHRJIMT-KRWDZBQOSA-N 1 0 367.443 5.043 50 0 FKAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000043022874 208299533 /nfs/dbraw/zinc/29/95/33/208299533.db2.gz AYIZGBFHHRJIMT-QGZVFWFLSA-N 1 0 367.443 5.043 50 0 FKAARO C[C@@H](C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccccc2F)C1)c1ccccc1 ZINC000043041431 208300692 /nfs/dbraw/zinc/30/06/92/208300692.db2.gz AEPSUSITXGCDER-HKUYNNGSSA-N 1 0 363.480 5.199 50 0 FKAARO C[C@H](C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccccc2F)C1)c1ccccc1 ZINC000043041435 205099513 /nfs/dbraw/zinc/09/95/13/205099513.db2.gz AEPSUSITXGCDER-MJGOQNOKSA-N 1 0 363.480 5.199 50 0 FKAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)c(F)c3)C2)cc1 ZINC000043083213 571099371 /nfs/dbraw/zinc/09/93/71/571099371.db2.gz OSFINBOHKSPHDQ-SFHVURJKSA-N 1 0 367.443 5.043 50 0 FKAARO Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)c(F)c3)C2)cc1 ZINC000043083216 571099678 /nfs/dbraw/zinc/09/96/78/571099678.db2.gz OSFINBOHKSPHDQ-GOSISDBHSA-N 1 0 367.443 5.043 50 0 FKAARO C[C@@H](C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1)c1ccccc1 ZINC000043151166 205100841 /nfs/dbraw/zinc/10/08/41/205100841.db2.gz GFGRSSQONNCQAL-PXNSSMCTSA-N 1 0 363.480 5.199 50 0 FKAARO C[C@H](C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1)c1ccccc1 ZINC000043151168 571099691 /nfs/dbraw/zinc/09/96/91/571099691.db2.gz GFGRSSQONNCQAL-XLIONFOSSA-N 1 0 363.480 5.199 50 0 FKAARO Clc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c(Cl)c1 ZINC000043164405 571099550 /nfs/dbraw/zinc/09/95/50/571099550.db2.gz ONAOYDSXVRGDBF-UXHICEINSA-N 1 0 367.364 5.222 50 0 FKAARO [NH3+]CCP1Cc2ccc3ccccc3c2-c2c(ccc3ccccc32)C1 ZINC000043199406 571099774 /nfs/dbraw/zinc/09/97/74/571099774.db2.gz PXDLCEFIOZLJLW-UHFFFAOYSA-N 1 0 355.421 6.114 50 0 FKAARO C[C@@H](CSc1ccccc1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000044519929 220957906 /nfs/dbraw/zinc/95/79/06/220957906.db2.gz CXNOCTNDPSGIJB-FQEVSTJZSA-N 1 0 361.554 5.979 50 0 FKAARO C[C@H](CSc1ccccc1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000044519931 571101908 /nfs/dbraw/zinc/10/19/08/571101908.db2.gz CXNOCTNDPSGIJB-HXUWFJFHSA-N 1 0 361.554 5.979 50 0 FKAARO Cc1ccc2c(c1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCN(C)C1 ZINC000045386633 208330780 /nfs/dbraw/zinc/33/07/80/208330780.db2.gz FCDNLGMRDAOTCR-UHFFFAOYSA-N 1 0 372.434 5.199 50 0 FKAARO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000048262098 570939270 /nfs/dbraw/zinc/93/92/70/570939270.db2.gz FZWYECFTKZUNKL-QFIPXVFZSA-N 1 0 362.473 5.386 50 0 FKAARO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000048262100 208393721 /nfs/dbraw/zinc/39/37/21/208393721.db2.gz FZWYECFTKZUNKL-JOCHJYFZSA-N 1 0 362.473 5.386 50 0 FKAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000048313266 205158733 /nfs/dbraw/zinc/15/87/33/205158733.db2.gz NCWAUFQDAHEXCW-DEOSSOPVSA-N 1 0 374.484 5.006 50 0 FKAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000048313269 221007233 /nfs/dbraw/zinc/00/72/33/221007233.db2.gz NCWAUFQDAHEXCW-XMMPIXPASA-N 1 0 374.484 5.006 50 0 FKAARO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000048365515 570952129 /nfs/dbraw/zinc/95/21/29/570952129.db2.gz HVNRLNPKOGEHCJ-FQEVSTJZSA-N 1 0 356.897 5.142 50 0 FKAARO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000048365517 570952015 /nfs/dbraw/zinc/95/20/15/570952015.db2.gz HVNRLNPKOGEHCJ-HXUWFJFHSA-N 1 0 356.897 5.142 50 0 FKAARO C[C@@H](c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000048523114 571308710 /nfs/dbraw/zinc/30/87/10/571308710.db2.gz QGWUTVQQOHVLMZ-NRFANRHFSA-N 1 0 356.513 5.155 50 0 FKAARO C[C@H](c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000048523116 571308726 /nfs/dbraw/zinc/30/87/26/571308726.db2.gz QGWUTVQQOHVLMZ-OAQYLSRUSA-N 1 0 356.513 5.155 50 0 FKAARO Clc1ccc(C[NH+]2CCC(Sc3ccc4ccccc4n3)CC2)cc1 ZINC000048564166 205164383 /nfs/dbraw/zinc/16/43/83/205164383.db2.gz FKVXFPMQKUFPFE-UHFFFAOYSA-N 1 0 368.933 5.645 50 0 FKAARO CCCCCCOc1ccccc1NC(=O)OCC1([NH+](C)C)CCCC1 ZINC000048564542 571308978 /nfs/dbraw/zinc/30/89/78/571308978.db2.gz PJSAQPBXLMDYFX-UHFFFAOYSA-N 1 0 362.514 5.069 50 0 FKAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccco2)C2CCCCC2)cc1 ZINC000050690240 519781698 /nfs/dbraw/zinc/78/16/98/519781698.db2.gz DIECDKRJLGHYQI-QHCPKHFHSA-N 1 0 355.522 5.911 50 0 FKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccco2)C2CCCCC2)cc1 ZINC000050690244 519781930 /nfs/dbraw/zinc/78/19/30/519781930.db2.gz DIECDKRJLGHYQI-HSZRJFAPSA-N 1 0 355.522 5.911 50 0 FKAARO C[N@H+](Cc1c(-c2ccc(Cl)cc2)nc2ccccn21)Cc1ccccc1 ZINC000052518700 571146219 /nfs/dbraw/zinc/14/62/19/571146219.db2.gz KRXKKZZBPXEEOS-UHFFFAOYSA-N 1 0 361.876 5.287 50 0 FKAARO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000052660275 571148401 /nfs/dbraw/zinc/14/84/01/571148401.db2.gz FWKBRSXSUZNNEH-LSDHHAIUSA-N 1 0 364.411 5.000 50 0 FKAARO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000052660276 205187891 /nfs/dbraw/zinc/18/78/91/205187891.db2.gz FWKBRSXSUZNNEH-GJZGRUSLSA-N 1 0 364.411 5.000 50 0 FKAARO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000052660277 571148427 /nfs/dbraw/zinc/14/84/27/571148427.db2.gz FWKBRSXSUZNNEH-HUUCEWRRSA-N 1 0 364.411 5.000 50 0 FKAARO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000052660278 571148338 /nfs/dbraw/zinc/14/83/38/571148338.db2.gz FWKBRSXSUZNNEH-CABCVRRESA-N 1 0 364.411 5.000 50 0 FKAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000053945664 571113879 /nfs/dbraw/zinc/11/38/79/571113879.db2.gz UPGJTSOBYDVFIS-UHFFFAOYSA-N 1 0 357.432 5.095 50 0 FKAARO Clc1ccc(N2CC[NH+](C3=Cc4ccccc4CC3)CC2)cc1Cl ZINC000055145580 136126061 /nfs/dbraw/zinc/12/60/61/136126061.db2.gz FVWIYGQSQOHHOY-UHFFFAOYSA-N 1 0 359.300 5.103 50 0 FKAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C(F)(F)F)cc1C ZINC000055182895 571117408 /nfs/dbraw/zinc/11/74/08/571117408.db2.gz UFVZGRCTYUQNRR-UHFFFAOYSA-N 1 0 359.395 5.002 50 0 FKAARO Cc1c([C@@H](C)[NH2+]Cc2ccccc2C(F)(F)F)cnn1-c1ccccc1 ZINC000055244010 221063668 /nfs/dbraw/zinc/06/36/68/221063668.db2.gz ISRHRDIMBDXWLQ-CQSZACIVSA-N 1 0 359.395 5.050 50 0 FKAARO Cc1c([C@H](C)[NH2+]Cc2ccccc2C(F)(F)F)cnn1-c1ccccc1 ZINC000055244011 221063176 /nfs/dbraw/zinc/06/31/76/221063176.db2.gz ISRHRDIMBDXWLQ-AWEZNQCLSA-N 1 0 359.395 5.050 50 0 FKAARO Cc1cnccc1C[N@H+](C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000055244342 221063299 /nfs/dbraw/zinc/06/32/99/221063299.db2.gz WICSLCDPMAJRDD-UHFFFAOYSA-N 1 0 368.484 5.079 50 0 FKAARO C[N@@H+](Cc1cccc2ccccc21)Cc1coc2ccc(Cl)cc2c1=O ZINC000055291899 205212959 /nfs/dbraw/zinc/21/29/59/205212959.db2.gz FIUDBHXSKPORNS-UHFFFAOYSA-N 1 0 363.844 5.232 50 0 FKAARO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000055292383 136126336 /nfs/dbraw/zinc/12/63/36/136126336.db2.gz KFNAGRQLJNKEHU-UHFFFAOYSA-N 1 0 356.513 5.293 50 0 FKAARO Cn1cc(C[N@H+](C)Cc2cccnc2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000055371041 221067083 /nfs/dbraw/zinc/06/70/83/221067083.db2.gz PJZHKGFQIZMNBY-UHFFFAOYSA-N 1 0 374.532 5.162 50 0 FKAARO Cc1ccccc1Oc1ncccc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000055385670 221068670 /nfs/dbraw/zinc/06/86/70/221068670.db2.gz CNCFDKIQTUJDLU-UHFFFAOYSA-N 1 0 370.399 5.074 50 0 FKAARO C1=C(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@H]4CCC2)CCC1 ZINC000055455756 571195076 /nfs/dbraw/zinc/19/50/76/571195076.db2.gz VWWJKZASFNVJTI-VWLOTQADSA-N 1 0 368.524 6.102 50 0 FKAARO C1=C(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@@H]4CCC2)CCC1 ZINC000055455760 571195037 /nfs/dbraw/zinc/19/50/37/571195037.db2.gz VWWJKZASFNVJTI-RUZDIDTESA-N 1 0 368.524 6.102 50 0 FKAARO Cc1cccc(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)c1C ZINC000055543097 136126832 /nfs/dbraw/zinc/12/68/32/136126832.db2.gz NOTFDGCORKMBJX-UHFFFAOYSA-N 1 0 356.513 5.293 50 0 FKAARO Cc1cccc(N2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c1C ZINC000055543346 136126949 /nfs/dbraw/zinc/12/69/49/136126949.db2.gz WSDCVDUOJOKUOG-UHFFFAOYSA-N 1 0 372.512 5.418 50 0 FKAARO Clc1cccc(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000055543351 136127057 /nfs/dbraw/zinc/12/70/57/136127057.db2.gz BJSSPDCHHGOOCH-UHFFFAOYSA-N 1 0 362.904 5.329 50 0 FKAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1 ZINC000055543769 136126908 /nfs/dbraw/zinc/12/69/08/136126908.db2.gz QQQLCXVTAFVNLH-UHFFFAOYSA-N 1 0 370.418 5.181 50 0 FKAARO CCOc1ccccc1N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000055543788 136126916 /nfs/dbraw/zinc/12/69/16/136126916.db2.gz ZWRGTSLTCGGSLB-UHFFFAOYSA-N 1 0 372.512 5.075 50 0 FKAARO Clc1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000055544047 136127014 /nfs/dbraw/zinc/12/70/14/136127014.db2.gz MJGNPVDNOOVJSN-UHFFFAOYSA-N 1 0 362.904 5.329 50 0 FKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(c4ccccc4)CC3)ccc21 ZINC000055544048 136127051 /nfs/dbraw/zinc/12/70/51/136127051.db2.gz AOHNWMLKNQDQLD-UHFFFAOYSA-N 1 0 369.512 5.137 50 0 FKAARO CCCC[PH+](C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000056961629 571121934 /nfs/dbraw/zinc/12/19/34/571121934.db2.gz HTJWUNNIRKDDIV-UHFFFAOYSA-N 1 0 358.550 7.206 50 0 FKAARO COCC[NH+](Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000057211698 205235258 /nfs/dbraw/zinc/23/52/58/205235258.db2.gz QEGGHDIYCBEWNP-UHFFFAOYSA-N 1 0 355.481 5.642 50 0 FKAARO Cc1ccccc1C(=O)O[C@@H](C)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000057222614 221084818 /nfs/dbraw/zinc/08/48/18/221084818.db2.gz YIFAYJNANLGLDI-NRFANRHFSA-N 1 0 373.496 5.243 50 0 FKAARO Cc1ccccc1C(=O)O[C@H](C)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000057222617 205237244 /nfs/dbraw/zinc/23/72/44/205237244.db2.gz YIFAYJNANLGLDI-OAQYLSRUSA-N 1 0 373.496 5.243 50 0 FKAARO CC1=C(C)[C@H]([NH2+]C2CCCCCCCCCCC2)N(CCC(C)C)C1=O ZINC000057284639 205236448 /nfs/dbraw/zinc/23/64/48/205236448.db2.gz HEFFFXUAQCILGO-JOCHJYFZSA-N 1 0 362.602 5.800 50 0 FKAARO Cc1[nH]c2ccccc2c1C(=O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000057378627 221087147 /nfs/dbraw/zinc/08/71/47/221087147.db2.gz NEFVCGXCFRYHTD-LBPRGKRZSA-N 1 0 360.379 5.029 50 0 FKAARO Cc1[nH]c2ccccc2c1C(=O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000057378630 571343032 /nfs/dbraw/zinc/34/30/32/571343032.db2.gz NEFVCGXCFRYHTD-GFCCVEGCSA-N 1 0 360.379 5.029 50 0 FKAARO C[C@H]([NH2+][C@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000057508810 571343936 /nfs/dbraw/zinc/34/39/36/571343936.db2.gz XYKXAGQFBGZXCH-LIRRHRJNSA-N 1 0 370.905 5.108 50 0 FKAARO C[C@@H]([NH2+][C@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000057508814 209685959 /nfs/dbraw/zinc/68/59/59/209685959.db2.gz XYKXAGQFBGZXCH-KUHUBIRLSA-N 1 0 370.905 5.108 50 0 FKAARO C[C@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000057508820 571343943 /nfs/dbraw/zinc/34/39/43/571343943.db2.gz XYKXAGQFBGZXCH-IFXJQAMLSA-N 1 0 370.905 5.108 50 0 FKAARO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000057508825 206386233 /nfs/dbraw/zinc/38/62/33/206386233.db2.gz XYKXAGQFBGZXCH-AUUYWEPGSA-N 1 0 370.905 5.108 50 0 FKAARO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]3c3ccccc3)c2cc1Cl ZINC000057611632 205242757 /nfs/dbraw/zinc/24/27/57/205242757.db2.gz JUZIKSVTNPNFIW-LJQANCHMSA-N 1 0 353.849 5.092 50 0 FKAARO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H]3c3ccccc3)c2cc1Cl ZINC000057611634 205242375 /nfs/dbraw/zinc/24/23/75/205242375.db2.gz JUZIKSVTNPNFIW-IBGZPJMESA-N 1 0 353.849 5.092 50 0 FKAARO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)s1)c1ccc(-n2ccnc2)cc1 ZINC000057801148 205244174 /nfs/dbraw/zinc/24/41/74/205244174.db2.gz NPCFOCFPUPOJHX-KRWDZBQOSA-N 1 0 359.498 5.452 50 0 FKAARO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)s1)c1ccc(-n2ccnc2)cc1 ZINC000057801151 205243727 /nfs/dbraw/zinc/24/37/27/205243727.db2.gz NPCFOCFPUPOJHX-QGZVFWFLSA-N 1 0 359.498 5.452 50 0 FKAARO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)C2CCCCC2)c1 ZINC000057945279 571122956 /nfs/dbraw/zinc/12/29/56/571122956.db2.gz JDFPGVIZUFLQPE-JOCHJYFZSA-N 1 0 350.506 5.248 50 0 FKAARO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C2CCCCC2)c1 ZINC000057945284 205245273 /nfs/dbraw/zinc/24/52/73/205245273.db2.gz JDFPGVIZUFLQPE-QFIPXVFZSA-N 1 0 350.506 5.248 50 0 FKAARO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)cc1)c1ccc(F)cc1F ZINC000057963428 571123445 /nfs/dbraw/zinc/12/34/45/571123445.db2.gz JWSPOWIWHKWFGY-INIZCTEOSA-N 1 0 352.428 5.584 50 0 FKAARO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)cc1)c1ccc(F)cc1F ZINC000057963439 571123358 /nfs/dbraw/zinc/12/33/58/571123358.db2.gz JWSPOWIWHKWFGY-MRXNPFEDSA-N 1 0 352.428 5.584 50 0 FKAARO COc1ccc(C[N@H+](Cc2ccccc2Oc2cccnc2)C2CC2)cc1 ZINC000058023388 205246947 /nfs/dbraw/zinc/24/69/47/205246947.db2.gz IMGSCTPQMCMLPH-UHFFFAOYSA-N 1 0 360.457 5.047 50 0 FKAARO Cc1cc2oc(=O)cc(C[NH2+][C@@H](c3ccc(F)cc3)C(C)C)c2cc1C ZINC000058054134 571124713 /nfs/dbraw/zinc/12/47/13/571124713.db2.gz WCQRQGDAJGIPBU-JOCHJYFZSA-N 1 0 353.437 5.036 50 0 FKAARO Cc1cc2oc(=O)cc(C[NH2+][C@H](c3ccc(F)cc3)C(C)C)c2cc1C ZINC000058054139 571124765 /nfs/dbraw/zinc/12/47/65/571124765.db2.gz WCQRQGDAJGIPBU-QFIPXVFZSA-N 1 0 353.437 5.036 50 0 FKAARO Clc1cccc([C@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000058070438 571125031 /nfs/dbraw/zinc/12/50/31/571125031.db2.gz ACMUPPDDQFBFEE-LJQANCHMSA-N 1 0 354.906 5.264 50 0 FKAARO Clc1cccc([C@@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000058070444 205249795 /nfs/dbraw/zinc/24/97/95/205249795.db2.gz ACMUPPDDQFBFEE-IBGZPJMESA-N 1 0 354.906 5.264 50 0 FKAARO Cc1ccc2c(CN(Cc3ccco3)Cc3ccccc3)cc(=O)oc2c1C ZINC000058122406 221098807 /nfs/dbraw/zinc/09/88/07/221098807.db2.gz VDGSHIKWVYRFTQ-UHFFFAOYSA-N 1 0 373.452 5.205 50 0 FKAARO CSc1ccc2cc(C[NH2+]Cc3ccc(Cl)cc3)c(Cl)nc2c1 ZINC000058138101 571125645 /nfs/dbraw/zinc/12/56/45/571125645.db2.gz YSKVEVRYRMHEGW-UHFFFAOYSA-N 1 0 363.313 5.553 50 0 FKAARO CC1(C)CC(N2CCCCC2)=CC(=[N+]2CCC(Cc3ccccc3)CC2)C1 ZINC000058158307 205250073 /nfs/dbraw/zinc/25/00/73/205250073.db2.gz MJNSAOLOMYUPLZ-UHFFFAOYSA-N 1 0 365.585 5.282 50 0 FKAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000058160003 571126295 /nfs/dbraw/zinc/12/62/95/571126295.db2.gz OTMOFBMASGGYGG-ROUUACIJSA-N 1 0 374.484 5.040 50 0 FKAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000058160004 205252494 /nfs/dbraw/zinc/25/24/94/205252494.db2.gz OTMOFBMASGGYGG-MSOLQXFVSA-N 1 0 374.484 5.040 50 0 FKAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000058160005 205252872 /nfs/dbraw/zinc/25/28/72/205252872.db2.gz OTMOFBMASGGYGG-ZWKOTPCHSA-N 1 0 374.484 5.040 50 0 FKAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000058160006 205252894 /nfs/dbraw/zinc/25/28/94/205252894.db2.gz OTMOFBMASGGYGG-QZTJIDSGSA-N 1 0 374.484 5.040 50 0 FKAARO C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000058160692 571126392 /nfs/dbraw/zinc/12/63/92/571126392.db2.gz MPAUIXLAVDZIEW-QWRGUYRKSA-N 1 0 371.695 5.325 50 0 FKAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 ZINC000058160693 571126384 /nfs/dbraw/zinc/12/63/84/571126384.db2.gz MPAUIXLAVDZIEW-MNOVXSKESA-N 1 0 371.695 5.325 50 0 FKAARO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000058160694 571126421 /nfs/dbraw/zinc/12/64/21/571126421.db2.gz MPAUIXLAVDZIEW-WDEREUQCSA-N 1 0 371.695 5.325 50 0 FKAARO C[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000058160695 571126354 /nfs/dbraw/zinc/12/63/54/571126354.db2.gz MPAUIXLAVDZIEW-GHMZBOCLSA-N 1 0 371.695 5.325 50 0 FKAARO Cc1ccc2c(C[NH2+]C(c3ccccc3)c3ccccc3)cc(=O)oc2c1C ZINC000058164933 571126595 /nfs/dbraw/zinc/12/65/95/571126595.db2.gz GDFXOCQLRDLBSR-UHFFFAOYSA-N 1 0 369.464 5.289 50 0 FKAARO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000058177680 205253634 /nfs/dbraw/zinc/25/36/34/205253634.db2.gz DWASPQKIIGCNDG-OAQYLSRUSA-N 1 0 364.533 5.154 50 0 FKAARO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000058177682 571127313 /nfs/dbraw/zinc/12/73/13/571127313.db2.gz DWASPQKIIGCNDG-NRFANRHFSA-N 1 0 364.533 5.154 50 0 FKAARO CCCC[N@@H+]1Cc2ccc(NC(=O)c3[nH]c4ccccc4c3Cl)cc2C1 ZINC000058309017 571131001 /nfs/dbraw/zinc/13/10/01/571131001.db2.gz VFGHIJGWCCQYTQ-UHFFFAOYSA-N 1 0 367.880 5.189 50 0 FKAARO FC(F)Sc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000058407024 205273868 /nfs/dbraw/zinc/27/38/68/205273868.db2.gz MPDLDLADFWLAJJ-OAHLLOKOSA-N 1 0 374.456 5.522 50 0 FKAARO FC(F)Sc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000058407025 221117498 /nfs/dbraw/zinc/11/74/98/221117498.db2.gz MPDLDLADFWLAJJ-HNNXBMFYSA-N 1 0 374.456 5.522 50 0 FKAARO Cc1cc([C@@H]2CC=C(C)[C@H](c3ccccc3)[N@@H+]2C)cnc1-c1ccccc1 ZINC000058476297 571351802 /nfs/dbraw/zinc/35/18/02/571351802.db2.gz HKZZNEPBJXSGFS-UKILVPOCSA-N 1 0 354.497 6.121 50 0 FKAARO Cc1cc([C@H]2CC=C(C)[C@H](c3ccccc3)[N@@H+]2C)cnc1-c1ccccc1 ZINC000058476299 221120138 /nfs/dbraw/zinc/12/01/38/221120138.db2.gz HKZZNEPBJXSGFS-ILBGXUMGSA-N 1 0 354.497 6.121 50 0 FKAARO Cc1cc([C@@H]2CC=C(C)[C@@H](c3ccccc3)[N@@H+]2C)cnc1-c1ccccc1 ZINC000058476302 212012234 /nfs/dbraw/zinc/01/22/34/212012234.db2.gz HKZZNEPBJXSGFS-ZCYQVOJMSA-N 1 0 354.497 6.121 50 0 FKAARO Cc1cc([C@H]2CC=C(C)[C@@H](c3ccccc3)[N@@H+]2C)cnc1-c1ccccc1 ZINC000058476305 221121012 /nfs/dbraw/zinc/12/10/12/221121012.db2.gz HKZZNEPBJXSGFS-NOZRDPDXSA-N 1 0 354.497 6.121 50 0 FKAARO FC(F)Oc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C(F)(F)F ZINC000058477738 205276148 /nfs/dbraw/zinc/27/61/48/205276148.db2.gz ATPHJWYWGIRLQM-QGZVFWFLSA-N 1 0 371.349 5.474 50 0 FKAARO C[N@H+](Cc1csc2ccccc12)Cc1cc(Cl)cc2c1OCOC2 ZINC000058582079 212012039 /nfs/dbraw/zinc/01/20/39/212012039.db2.gz CSROVHSFTAVXPL-UHFFFAOYSA-N 1 0 359.878 5.053 50 0 FKAARO FC(F)(F)c1cccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000058829354 221124035 /nfs/dbraw/zinc/12/40/35/221124035.db2.gz NEKAASNFKTYNKM-UHFFFAOYSA-N 1 0 360.379 5.226 50 0 FKAARO O=C(c1ccccc1)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000059391991 212017413 /nfs/dbraw/zinc/01/74/13/212017413.db2.gz DWFRCMPUMKISPC-UHFFFAOYSA-N 1 0 353.465 5.351 50 0 FKAARO Clc1ccc(SC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000059602183 221126520 /nfs/dbraw/zinc/12/65/20/221126520.db2.gz XGJYZGNXLBHJJP-UHFFFAOYSA-N 1 0 365.929 5.906 50 0 FKAARO C(/C=C/[NH+]1CCCC1)=C\c1cc(-c2ccccc2)c(-c2ccccc2)cn1 ZINC000059602426 205281310 /nfs/dbraw/zinc/28/13/10/205281310.db2.gz VTWMOWFPHCWJLH-BGPOSVGRSA-N 1 0 352.481 6.038 50 0 FKAARO CC[NH+](CC)Cc1ccccc1NCc1cc2ccccc2nc1Cl ZINC000059803406 212019007 /nfs/dbraw/zinc/01/90/07/212019007.db2.gz BCWCNXRSYNXIGP-UHFFFAOYSA-N 1 0 353.897 5.342 50 0 FKAARO Fc1ccccc1C[NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000060829596 212023859 /nfs/dbraw/zinc/02/38/59/212023859.db2.gz MNQAKYBMDYFJEE-SFHVURJKSA-N 1 0 350.462 5.290 50 0 FKAARO OC1/C(=C/c2ccccc2)C[NH+](Cc2ccccc2)C/C1=C\c1ccccc1 ZINC000063111070 205292536 /nfs/dbraw/zinc/29/25/36/205292536.db2.gz KEQFHIMMIJJNJC-MUPYBJATSA-N 1 0 367.492 5.030 50 0 FKAARO Fc1cc(C[NH2+]Cc2csc3ccccc23)ccc1Oc1cccnc1 ZINC000063549219 205293418 /nfs/dbraw/zinc/29/34/18/205293418.db2.gz HYGJYWWXWLRQPT-UHFFFAOYSA-N 1 0 364.445 5.518 50 0 FKAARO CC(C)[C@@H](C)[N@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CC1 ZINC000064141151 212036542 /nfs/dbraw/zinc/03/65/42/212036542.db2.gz LGHBADKFWALNKN-LLVKDONJSA-N 1 0 354.281 5.052 50 0 FKAARO CCc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(OCc3ccccc3)c2)on1 ZINC000064984365 221161703 /nfs/dbraw/zinc/16/17/03/221161703.db2.gz UUQKEBCJXHMKNU-QFIPXVFZSA-N 1 0 362.473 5.153 50 0 FKAARO CCc1cc([C@H]2CCC[N@@H+]2Cc2cccc(OCc3ccccc3)c2)on1 ZINC000064984367 221161360 /nfs/dbraw/zinc/16/13/60/221161360.db2.gz UUQKEBCJXHMKNU-JOCHJYFZSA-N 1 0 362.473 5.153 50 0 FKAARO CCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2)on1 ZINC000064984382 221161663 /nfs/dbraw/zinc/16/16/63/221161663.db2.gz WOOMTWIKIPLYCZ-QFIPXVFZSA-N 1 0 362.473 5.153 50 0 FKAARO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2)on1 ZINC000064984384 571141500 /nfs/dbraw/zinc/14/15/00/571141500.db2.gz WOOMTWIKIPLYCZ-JOCHJYFZSA-N 1 0 362.473 5.153 50 0 FKAARO Cc1ccc(-c2cc([C@@H]3CC[N@H+](Cc4ccoc4)C3)ccn2)c2cccnc12 ZINC000065375918 205341575 /nfs/dbraw/zinc/34/15/75/205341575.db2.gz VQYANHKXJLBDTH-HXUWFJFHSA-N 1 0 369.468 5.188 50 0 FKAARO Cc1ccc(-c2cc([C@H]3CC[N@H+](Cc4ccoc4)C3)ccn2)c2cccnc12 ZINC000065375919 571142605 /nfs/dbraw/zinc/14/26/05/571142605.db2.gz VQYANHKXJLBDTH-FQEVSTJZSA-N 1 0 369.468 5.188 50 0 FKAARO C[NH+]1CCC(n2cnc(-c3ccccc3)c2-c2cccc(Cl)c2)CC1 ZINC000065395141 221209974 /nfs/dbraw/zinc/20/99/74/221209974.db2.gz YWMZYJOIONBOIJ-UHFFFAOYSA-N 1 0 351.881 5.137 50 0 FKAARO C[NH+]1CCC(n2cnc(-c3ccccc3)c2-c2cccc3cccnc32)CC1 ZINC000065435285 205349753 /nfs/dbraw/zinc/34/97/53/205349753.db2.gz ATWGCRVEFDMWBP-UHFFFAOYSA-N 1 0 368.484 5.032 50 0 FKAARO C[NH+]1CCC(n2cnc(-c3ccccc3)c2-c2cc3ccccc3o2)CC1 ZINC000065493290 205356040 /nfs/dbraw/zinc/35/60/40/205356040.db2.gz CVOUKXVOTFENBA-UHFFFAOYSA-N 1 0 357.457 5.230 50 0 FKAARO c1coc(C[N@@H+]2CC[C@@H](c3ccnc(-c4cc5ccccc5s4)c3)C2)c1 ZINC000065525788 571144581 /nfs/dbraw/zinc/14/45/81/571144581.db2.gz JJJNZPZKNFLOAL-GOSISDBHSA-N 1 0 360.482 5.546 50 0 FKAARO c1coc(C[N@@H+]2CC[C@H](c3ccnc(-c4cc5ccccc5s4)c3)C2)c1 ZINC000065525789 571144499 /nfs/dbraw/zinc/14/44/99/571144499.db2.gz JJJNZPZKNFLOAL-SFHVURJKSA-N 1 0 360.482 5.546 50 0 FKAARO CC(=O)c1cc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccccc4)c3)C2)cs1 ZINC000065526096 221229689 /nfs/dbraw/zinc/22/96/89/221229689.db2.gz LTXUHKMGPCENLU-FQEVSTJZSA-N 1 0 362.498 5.002 50 0 FKAARO CC(=O)c1cc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccccc4)c3)C2)cs1 ZINC000065526097 205356740 /nfs/dbraw/zinc/35/67/40/205356740.db2.gz LTXUHKMGPCENLU-HXUWFJFHSA-N 1 0 362.498 5.002 50 0 FKAARO [NH3+]CCCCCn1cnc(-c2ccccc2)c1-c1ccc2cc(F)ccc2n1 ZINC000065534375 571144884 /nfs/dbraw/zinc/14/48/84/571144884.db2.gz GHCUSWWVXZVTFZ-UHFFFAOYSA-N 1 0 374.463 5.033 50 0 FKAARO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+](C)Cc1cccc2ccccc21 ZINC000065541426 221232631 /nfs/dbraw/zinc/23/26/31/221232631.db2.gz VQSRNIVFUJPYLE-HNNXBMFYSA-N 1 0 365.427 5.778 50 0 FKAARO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+](C)Cc1cccc2ccccc21 ZINC000065541429 221232547 /nfs/dbraw/zinc/23/25/47/221232547.db2.gz VQSRNIVFUJPYLE-OAHLLOKOSA-N 1 0 365.427 5.778 50 0 FKAARO COc1cc(Oc2cccc(C(F)(F)F)c2)ccc1C[NH+]1CCCC1 ZINC000067459577 571146722 /nfs/dbraw/zinc/14/67/22/571146722.db2.gz KILQUFGJMVDMCQ-UHFFFAOYSA-N 1 0 351.368 5.102 50 0 FKAARO FC(F)(F)c1ccc(Oc2cccc(C[NH+]3CCCC3)c2Cl)nc1 ZINC000067489732 205373163 /nfs/dbraw/zinc/37/31/63/205373163.db2.gz GATMNDOHLQZMIV-UHFFFAOYSA-N 1 0 356.775 5.142 50 0 FKAARO Cc1cc(C[N@@H+]2CCc3onc(-c4cccc5ccccc54)c3C2)ccc1O ZINC000067588492 221261196 /nfs/dbraw/zinc/26/11/96/221261196.db2.gz CGWBVVFAYPZZHV-UHFFFAOYSA-N 1 0 370.452 5.067 50 0 FKAARO COc1ccc(Oc2cccc(C(F)(F)F)c2)cc1C[NH+]1CCCC1 ZINC000067603609 205376357 /nfs/dbraw/zinc/37/63/57/205376357.db2.gz GKENQURGTXMNLV-UHFFFAOYSA-N 1 0 351.368 5.102 50 0 FKAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1cccc(C(F)(F)F)c1 ZINC000067679111 571148135 /nfs/dbraw/zinc/14/81/35/571148135.db2.gz KLBMRXWFLWVYRR-UHFFFAOYSA-N 1 0 351.368 5.102 50 0 FKAARO FC(F)(F)c1cccnc1Oc1ccc(C[NH+]2CCCC2)cc1Cl ZINC000067694814 205384377 /nfs/dbraw/zinc/38/43/77/205384377.db2.gz DNUQWYVUWGCBHV-UHFFFAOYSA-N 1 0 356.775 5.142 50 0 FKAARO COc1ccccc1Oc1ncccc1CNc1cc[nH+]c2ccccc12 ZINC000067739465 205387771 /nfs/dbraw/zinc/38/77/71/205387771.db2.gz KVZAHYZFCAAAFJ-UHFFFAOYSA-N 1 0 357.413 5.043 50 0 FKAARO FC(F)(F)c1cccc(Oc2cccc(C[NH+]3CCCC3)c2Cl)n1 ZINC000067755495 205388807 /nfs/dbraw/zinc/38/88/07/205388807.db2.gz UFSXRRHOQNYYFB-UHFFFAOYSA-N 1 0 356.775 5.142 50 0 FKAARO FC(F)(F)c1ccc(Oc2ccc(C[NH+]3CCCC3)cc2Cl)nc1 ZINC000067755572 571149388 /nfs/dbraw/zinc/14/93/88/571149388.db2.gz UFOUPCKVJHXPOR-UHFFFAOYSA-N 1 0 356.775 5.142 50 0 FKAARO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067757504 571149227 /nfs/dbraw/zinc/14/92/27/571149227.db2.gz LKNWPKPFHKYCOE-QHCPKHFHSA-N 1 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CC(C)(C)[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1cccs1 ZINC000069485560 221325590 /nfs/dbraw/zinc/32/55/90/221325590.db2.gz WDJNJYPEAFUZHW-GOSISDBHSA-N 1 0 365.926 5.440 50 0 FKAARO CC(C)(C)[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1cccs1 ZINC000069485562 221325205 /nfs/dbraw/zinc/32/52/05/221325205.db2.gz WDJNJYPEAFUZHW-SFHVURJKSA-N 1 0 365.926 5.440 50 0 FKAARO c1csc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccc4ccccc43)n2)c1 ZINC000069951097 571106264 /nfs/dbraw/zinc/10/62/64/571106264.db2.gz DPTKCQJEYNHOHK-SFHVURJKSA-N 1 0 361.470 5.288 50 0 FKAARO c1csc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccc4ccccc43)n2)c1 ZINC000069951098 571106058 /nfs/dbraw/zinc/10/60/58/571106058.db2.gz DPTKCQJEYNHOHK-GOSISDBHSA-N 1 0 361.470 5.288 50 0 FKAARO COc1cc(C[NH+]2CCCC2)ccc1Oc1cccc(C(F)(F)F)c1 ZINC000071278611 571160687 /nfs/dbraw/zinc/16/06/87/571160687.db2.gz BWWVAZJVHTWXME-UHFFFAOYSA-N 1 0 351.368 5.102 50 0 FKAARO FC(F)(F)c1cccc(Oc2ccc(C[NH+]3CCCC3)cc2Cl)n1 ZINC000071278956 571160647 /nfs/dbraw/zinc/16/06/47/571160647.db2.gz XZJSAZYOEOSWSP-UHFFFAOYSA-N 1 0 356.775 5.142 50 0 FKAARO C[NH+](C)CC1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000071405258 571122061 /nfs/dbraw/zinc/12/20/61/571122061.db2.gz KCFLGYCAABMXLC-NRFANRHFSA-N 1 0 365.473 5.384 50 0 FKAARO C[NH+](C)CC1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000071405259 571121959 /nfs/dbraw/zinc/12/19/59/571121959.db2.gz KCFLGYCAABMXLC-OAQYLSRUSA-N 1 0 365.473 5.384 50 0 FKAARO Cc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2C[NH+](C)C)cc1 ZINC000071405260 571122075 /nfs/dbraw/zinc/12/20/75/571122075.db2.gz HUVWGTPFVDNZKZ-JOCHJYFZSA-N 1 0 361.510 5.554 50 0 FKAARO Cc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2C[NH+](C)C)cc1 ZINC000071405261 571122052 /nfs/dbraw/zinc/12/20/52/571122052.db2.gz HUVWGTPFVDNZKZ-QFIPXVFZSA-N 1 0 361.510 5.554 50 0 FKAARO CCCCCCC(=O)Nc1ccc(NCC[NH+](CC)CC)c2ccccc12 ZINC000071767253 571166086 /nfs/dbraw/zinc/16/60/86/571166086.db2.gz LVLHTEIJVUYGQP-UHFFFAOYSA-N 1 0 369.553 5.502 50 0 FKAARO CC(C)(C)[PH+](C(C)(C)C)[C@@]1(C)CC1(c1ccccc1)c1ccccc1 ZINC000071769588 571166273 /nfs/dbraw/zinc/16/62/73/571166273.db2.gz QMLPJDVGNRHGJQ-QHCPKHFHSA-N 1 0 352.502 7.214 50 0 FKAARO CC(C)(C)[PH+](C(C)(C)C)[C@]1(C)CC1(c1ccccc1)c1ccccc1 ZINC000071769589 221373928 /nfs/dbraw/zinc/37/39/28/221373928.db2.gz QMLPJDVGNRHGJQ-HSZRJFAPSA-N 1 0 352.502 7.214 50 0 FKAARO CC(C)c1cccc(C(C)C)c1[PH+](C1CCCCC1)C1CCCCC1 ZINC000071769592 571166251 /nfs/dbraw/zinc/16/62/51/571166251.db2.gz BTJYWUVKNAFRBF-UHFFFAOYSA-N 1 0 358.550 7.706 50 0 FKAARO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000071769748 208779394 /nfs/dbraw/zinc/77/93/94/208779394.db2.gz HBGDYSUQFCIKDU-HLXSIYPQSA-N 1 0 367.577 5.744 50 0 FKAARO CCC[NH+](CCC)CCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000071770717 136140872 /nfs/dbraw/zinc/14/08/72/136140872.db2.gz SPZNPUBKWWNCKH-UHFFFAOYSA-N 1 0 354.519 5.328 50 0 FKAARO CN(C)[C@@H](C[NH2+]Cc1sc2ccccc2c1Cl)c1ccsc1 ZINC000071844485 571127182 /nfs/dbraw/zinc/12/71/82/571127182.db2.gz VTLDDZAYCJLKDU-AWEZNQCLSA-N 1 0 350.940 5.009 50 0 FKAARO CN(C)[C@H](C[NH2+]Cc1sc2ccccc2c1Cl)c1ccsc1 ZINC000071844486 571127042 /nfs/dbraw/zinc/12/70/42/571127042.db2.gz VTLDDZAYCJLKDU-CQSZACIVSA-N 1 0 350.940 5.009 50 0 FKAARO FC(F)(F)c1cccc(CC[C@@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC000072132154 571171019 /nfs/dbraw/zinc/17/10/19/571171019.db2.gz FJTIBVCUDOGFBQ-HNNXBMFYSA-N 1 0 354.441 5.007 50 0 FKAARO FC(F)(F)c1cccc(CC[C@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC000072132155 571170987 /nfs/dbraw/zinc/17/09/87/571170987.db2.gz FJTIBVCUDOGFBQ-OAHLLOKOSA-N 1 0 354.441 5.007 50 0 FKAARO COc1ccc2ccccc2c1C[NH2+][C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000072276800 571033173 /nfs/dbraw/zinc/03/31/73/571033173.db2.gz SYUYHRHFZWIBJJ-QFIPXVFZSA-N 1 0 359.473 5.212 50 0 FKAARO COc1ccc2ccccc2c1C[NH2+][C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000072276801 571033399 /nfs/dbraw/zinc/03/33/99/571033399.db2.gz SYUYHRHFZWIBJJ-JOCHJYFZSA-N 1 0 359.473 5.212 50 0 FKAARO Cc1oc(C2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)nc1-c1ccccc1 ZINC000072304924 571060401 /nfs/dbraw/zinc/06/04/01/571060401.db2.gz DESFETUWJFVYKZ-INIZCTEOSA-N 1 0 364.464 5.730 50 0 FKAARO Cc1oc(C2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)nc1-c1ccccc1 ZINC000072304925 571060110 /nfs/dbraw/zinc/06/01/10/571060110.db2.gz DESFETUWJFVYKZ-MRXNPFEDSA-N 1 0 364.464 5.730 50 0 FKAARO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072305265 571061649 /nfs/dbraw/zinc/06/16/49/571061649.db2.gz DHMWXFMXBOQOSR-LEWJYISDSA-N 1 0 368.546 5.045 50 0 FKAARO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072305266 571061621 /nfs/dbraw/zinc/06/16/21/571061621.db2.gz DHMWXFMXBOQOSR-SFTDATJTSA-N 1 0 368.546 5.045 50 0 FKAARO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072305267 571061431 /nfs/dbraw/zinc/06/14/31/571061431.db2.gz DHMWXFMXBOQOSR-NHCUHLMSSA-N 1 0 368.546 5.045 50 0 FKAARO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072305268 571061560 /nfs/dbraw/zinc/06/15/60/571061560.db2.gz DHMWXFMXBOQOSR-RTWAWAEBSA-N 1 0 368.546 5.045 50 0 FKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CC[C@@H](C)CC(C)(C)C4)[C@H]3C=C12 ZINC000072324085 570537965 /nfs/dbraw/zinc/53/79/65/570537965.db2.gz PYBYTHWIXNGPQO-WKVNBUBUSA-N 1 0 373.581 5.059 50 0 FKAARO Cc1cccc(Sc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000075153292 570631967 /nfs/dbraw/zinc/63/19/67/570631967.db2.gz KXMORVVZVQNNOK-UHFFFAOYSA-N 1 0 374.553 5.468 50 0 FKAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1C(O)(C1CCCCC1)C1CCCCC1 ZINC000075245294 571158335 /nfs/dbraw/zinc/15/83/35/571158335.db2.gz CKNQGYBCGDCJJQ-AUSIDOKSSA-N 1 0 355.566 5.714 50 0 FKAARO C[N@@H+]1CCC[C@H](Oc2ccc(/C=C/c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000075253439 571158486 /nfs/dbraw/zinc/15/84/86/571158486.db2.gz LWJFYUCNSCJYQW-SGSXCFNPSA-N 1 0 361.407 5.349 50 0 FKAARO C[N@@H+]1CCC[C@@H](Oc2ccc(/C=C/c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000075253442 571158648 /nfs/dbraw/zinc/15/86/48/571158648.db2.gz LWJFYUCNSCJYQW-DPZZJQGRSA-N 1 0 361.407 5.349 50 0 FKAARO Cl/C(=C1/SC(c2ccccc2)=CN1c1ccncc1)c1ccccc1 ZINC000075259769 571158578 /nfs/dbraw/zinc/15/85/78/571158578.db2.gz VBOZLGXOCGLRAY-QZQOTICOSA-N 1 0 362.885 6.199 50 0 FKAARO CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H]1CCCC[C@@]1(N1CCCC1)O2 ZINC000075260956 571158562 /nfs/dbraw/zinc/15/85/62/571158562.db2.gz MZCPFRPPAHHLTI-GBXCKJPGSA-N 1 0 371.565 5.788 50 0 FKAARO CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H]1CCCC[C@]1(N1CCCC1)O2 ZINC000075260957 571158536 /nfs/dbraw/zinc/15/85/36/571158536.db2.gz MZCPFRPPAHHLTI-RDPSFJRHSA-N 1 0 371.565 5.788 50 0 FKAARO CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H]1CCCC[C@@]1(N1CCCC1)O2 ZINC000075260958 571158604 /nfs/dbraw/zinc/15/86/04/571158604.db2.gz MZCPFRPPAHHLTI-HYBUGGRVSA-N 1 0 371.565 5.788 50 0 FKAARO CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H]1CCCC[C@]1(N1CCCC1)O2 ZINC000075260959 571158517 /nfs/dbraw/zinc/15/85/17/571158517.db2.gz MZCPFRPPAHHLTI-YKSBVNFPSA-N 1 0 371.565 5.788 50 0 FKAARO Cc1cccc(NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCCC2)c1 ZINC000075264690 571158498 /nfs/dbraw/zinc/15/84/98/571158498.db2.gz OBSMFWLREBHZTJ-GOSISDBHSA-N 1 0 363.288 5.077 50 0 FKAARO Cc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCCC2)c1 ZINC000075264692 571158532 /nfs/dbraw/zinc/15/85/32/571158532.db2.gz OBSMFWLREBHZTJ-SFHVURJKSA-N 1 0 363.288 5.077 50 0 FKAARO CN(CCC[NH+](C)C)Cc1ccccc1Sc1ccc2ccccc2c1 ZINC000075373221 205037599 /nfs/dbraw/zinc/03/75/99/205037599.db2.gz SORPIHFFHFCSIW-UHFFFAOYSA-N 1 0 364.558 5.375 50 0 FKAARO CCCc1nc2cc(CCC(=O)Nc3ccc(Cl)cc3C)ccc2[nH]1 ZINC000075465615 571186227 /nfs/dbraw/zinc/18/62/27/571186227.db2.gz FFZPNGFVSHDETN-UHFFFAOYSA-N 1 0 355.869 5.049 50 0 FKAARO CCCc1nc2cc(CCC(=O)Nc3cc(Cl)ccc3C)ccc2[nH]1 ZINC000075465617 571186239 /nfs/dbraw/zinc/18/62/39/571186239.db2.gz DBFPURALNQKRCW-UHFFFAOYSA-N 1 0 355.869 5.049 50 0 FKAARO CCCc1nc2cc(CCC(=O)Nc3cccc(Cl)c3C)ccc2[nH]1 ZINC000075465634 571186097 /nfs/dbraw/zinc/18/60/97/571186097.db2.gz GRABTSOMXMNQCZ-UHFFFAOYSA-N 1 0 355.869 5.049 50 0 FKAARO CCCc1nc2cc(CCC(=O)Nc3ccc(C)c(Cl)c3)ccc2[nH]1 ZINC000075465635 571186187 /nfs/dbraw/zinc/18/61/87/571186187.db2.gz KBNXFEUJCNBTSM-UHFFFAOYSA-N 1 0 355.869 5.049 50 0 FKAARO CCCc1nc2cc(CCC(=O)Nc3ccc(C)cc3Cl)ccc2[nH]1 ZINC000075465640 571186290 /nfs/dbraw/zinc/18/62/90/571186290.db2.gz XYQAULOWVVQDDI-UHFFFAOYSA-N 1 0 355.869 5.049 50 0 FKAARO CC(C)c1nc2cc(CCC(=O)Nc3ccc(F)c(Cl)c3)ccc2[nH]1 ZINC000075465715 571186299 /nfs/dbraw/zinc/18/62/99/571186299.db2.gz VOGUUNDQADWLAZ-UHFFFAOYSA-N 1 0 359.832 5.050 50 0 FKAARO Cc1cc(Cl)ccc1NC(=O)CCc1ccc2[nH]c(C(C)C)nc2c1 ZINC000075465726 571186213 /nfs/dbraw/zinc/18/62/13/571186213.db2.gz HRLYHTUENHSUEU-UHFFFAOYSA-N 1 0 355.869 5.219 50 0 FKAARO Cc1c(Cl)cccc1NC(=O)CCc1ccc2[nH]c(C(C)C)nc2c1 ZINC000075465738 571186059 /nfs/dbraw/zinc/18/60/59/571186059.db2.gz IFGGIUNUWYALQS-UHFFFAOYSA-N 1 0 355.869 5.219 50 0 FKAARO Cc1ccc(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)cc1Cl ZINC000075465740 571186330 /nfs/dbraw/zinc/18/63/30/571186330.db2.gz WSWZJOFIXZYLDY-UHFFFAOYSA-N 1 0 355.869 5.219 50 0 FKAARO C[C@@H]([NH2+]CCCc1cccc(C(F)(F)F)c1)c1cccc2c1CCCC2 ZINC000077319300 571207207 /nfs/dbraw/zinc/20/72/07/571207207.db2.gz DYEQMULKZQBEKD-MRXNPFEDSA-N 1 0 361.451 5.868 50 0 in-vitro FKAARO CC(C)[C@@H](CNC(=O)c1cccc(Oc2ccncc2)c1)c1ccccc1 ZINC000078673824 571323503 /nfs/dbraw/zinc/32/35/03/571323503.db2.gz IVVRUOFCDRQLFE-JOCHJYFZSA-N 1 0 360.457 5.044 50 0 FKAARO CC(C)[C@H](CNC(=O)c1cccc(Oc2ccncc2)c1)c1ccccc1 ZINC000078673825 571323506 /nfs/dbraw/zinc/32/35/06/571323506.db2.gz IVVRUOFCDRQLFE-QFIPXVFZSA-N 1 0 360.457 5.044 50 0 FKAARO COc1ccc(C2([NH2+]Cc3cccc(OC)c3OC)CCCCCC2)cc1 ZINC000078823079 571326310 /nfs/dbraw/zinc/32/63/10/571326310.db2.gz ZHSYJQMWAXCEAR-UHFFFAOYSA-N 1 0 369.505 5.052 50 0 FKAARO CC(C)(C)OC(=O)CCCCCC[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000078869103 571326299 /nfs/dbraw/zinc/32/62/99/571326299.db2.gz ZMJUQLZBDOBCLW-UHFFFAOYSA-N 1 0 374.550 5.192 50 0 FKAARO C[C@H](c1ccccc1)[N@H+]1CC=C(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000079917105 571218225 /nfs/dbraw/zinc/21/82/25/571218225.db2.gz ZXINDPIOCYKBQG-OAQYLSRUSA-N 1 0 369.508 6.116 50 0 FKAARO [NH3+]C[C@H](OCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl ZINC000083324629 571232043 /nfs/dbraw/zinc/23/20/43/571232043.db2.gz YEFWMFSHHWNWBA-HNNXBMFYSA-N 1 0 365.087 5.517 50 0 FKAARO [NH3+]C[C@@H](OCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl ZINC000083324630 571231958 /nfs/dbraw/zinc/23/19/58/571231958.db2.gz YEFWMFSHHWNWBA-OAHLLOKOSA-N 1 0 365.087 5.517 50 0 FKAARO COc1ccc([C@@H]2C[NH2+][C@H](c3ccccc3)c3[nH]c4ccccc4c32)cc1 ZINC000083943987 571122279 /nfs/dbraw/zinc/12/22/79/571122279.db2.gz SSRVTXWLYQYDND-NZQKXSOJSA-N 1 0 354.453 5.001 50 0 FKAARO COc1ccc([C@H]2C[NH2+][C@H](c3ccccc3)c3[nH]c4ccccc4c32)cc1 ZINC000083943991 571122328 /nfs/dbraw/zinc/12/23/28/571122328.db2.gz SSRVTXWLYQYDND-NFBKMPQASA-N 1 0 354.453 5.001 50 0 FKAARO COc1ccc([C@@H]2C[NH2+][C@@H](c3ccccc3)c3[nH]c4ccccc4c32)cc1 ZINC000083943995 571122216 /nfs/dbraw/zinc/12/22/16/571122216.db2.gz SSRVTXWLYQYDND-REWPJTCUSA-N 1 0 354.453 5.001 50 0 FKAARO COc1ccc([C@H]2C[NH2+][C@@H](c3ccccc3)c3[nH]c4ccccc4c32)cc1 ZINC000083943999 571122304 /nfs/dbraw/zinc/12/23/04/571122304.db2.gz SSRVTXWLYQYDND-OFNKIYASSA-N 1 0 354.453 5.001 50 0 FKAARO CC(C)[C@H](C)[N@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CC1 ZINC000084409913 571084936 /nfs/dbraw/zinc/08/49/36/571084936.db2.gz LGHBADKFWALNKN-NSHDSACASA-N 1 0 354.281 5.052 50 0 FKAARO FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C(F)(F)F ZINC000084504950 571087381 /nfs/dbraw/zinc/08/73/81/571087381.db2.gz ATPHJWYWGIRLQM-KRWDZBQOSA-N 1 0 371.349 5.474 50 0 FKAARO Fc1ccccc1C[NH2+]C[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000084504964 571087306 /nfs/dbraw/zinc/08/73/06/571087306.db2.gz MNQAKYBMDYFJEE-GOSISDBHSA-N 1 0 350.462 5.290 50 0 FKAARO Fc1cccc2c1SCC[C@H]2[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000084560167 571089565 /nfs/dbraw/zinc/08/95/65/571089565.db2.gz JGIBGSUWWOQKEH-LJQANCHMSA-N 1 0 355.503 5.881 50 0 FKAARO Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000084560169 571089578 /nfs/dbraw/zinc/08/95/78/571089578.db2.gz JGIBGSUWWOQKEH-IBGZPJMESA-N 1 0 355.503 5.881 50 0 FKAARO Clc1cc(C[NH2+]Cc2csc3ccccc23)cc2c1OCCCO2 ZINC000084593155 571091302 /nfs/dbraw/zinc/09/13/02/571091302.db2.gz RHSYTRSRXZUQES-UHFFFAOYSA-N 1 0 359.878 5.006 50 0 FKAARO C[NH+](C)[C@@H](CNc1cc(C(F)(F)F)nc2ccccc21)c1cccs1 ZINC000089313902 571200842 /nfs/dbraw/zinc/20/08/42/571200842.db2.gz LYIPRNAYWFVZGD-HNNXBMFYSA-N 1 0 365.424 5.030 50 0 FKAARO C[NH+](C)[C@H](CNc1cc(C(F)(F)F)nc2ccccc21)c1cccs1 ZINC000089313903 571200918 /nfs/dbraw/zinc/20/09/18/571200918.db2.gz LYIPRNAYWFVZGD-OAHLLOKOSA-N 1 0 365.424 5.030 50 0 FKAARO C[N@H+](CCCNc1cc(C(F)(F)F)nc2ccccc21)C1CCCCC1 ZINC000089346026 522773181 /nfs/dbraw/zinc/77/31/81/522773181.db2.gz JTYYNZAOFAITGG-UHFFFAOYSA-N 1 0 365.443 5.320 50 0 FKAARO C[N@H+](CCCNc1cc(C(F)(F)F)nc2ccccc21)Cc1ccccc1 ZINC000089346028 522771480 /nfs/dbraw/zinc/77/14/80/522771480.db2.gz RDCAJDULOLPCGV-UHFFFAOYSA-N 1 0 373.422 5.188 50 0 FKAARO Cc1cc(N[C@H](c2nccn2C)c2ccc(Cl)cc2)c2ccccc2[nH+]1 ZINC000089583065 571212719 /nfs/dbraw/zinc/21/27/19/571212719.db2.gz IXPSBMFSOYHPQY-FQEVSTJZSA-N 1 0 362.864 5.132 50 0 FKAARO Cc1cc(N[C@@H](c2nccn2C)c2ccc(Cl)cc2)c2ccccc2[nH+]1 ZINC000089583069 571212600 /nfs/dbraw/zinc/21/26/00/571212600.db2.gz IXPSBMFSOYHPQY-HXUWFJFHSA-N 1 0 362.864 5.132 50 0 FKAARO CC(C)C[C@@H](CNc1cc(C(F)(F)F)nc2ccccc21)[NH+]1CCCC1 ZINC000089821012 571273482 /nfs/dbraw/zinc/27/34/82/571273482.db2.gz AMHPTDCNSVGQRW-HNNXBMFYSA-N 1 0 365.443 5.176 50 0 FKAARO CC(C)C[C@H](CNc1cc(C(F)(F)F)nc2ccccc21)[NH+]1CCCC1 ZINC000089821013 571273455 /nfs/dbraw/zinc/27/34/55/571273455.db2.gz AMHPTDCNSVGQRW-OAHLLOKOSA-N 1 0 365.443 5.176 50 0 FKAARO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000089904534 571274016 /nfs/dbraw/zinc/27/40/16/571274016.db2.gz GABUWDRYKMYKBX-BBATYDOGSA-N 1 0 365.304 5.312 50 0 FKAARO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000089904535 571273955 /nfs/dbraw/zinc/27/39/55/571273955.db2.gz GABUWDRYKMYKBX-ADLMAVQZSA-N 1 0 365.304 5.312 50 0 FKAARO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000089904536 571273929 /nfs/dbraw/zinc/27/39/29/571273929.db2.gz GABUWDRYKMYKBX-VOJFVSQTSA-N 1 0 365.304 5.312 50 0 FKAARO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000089904537 571274026 /nfs/dbraw/zinc/27/40/26/571274026.db2.gz GABUWDRYKMYKBX-ZMZPIMSZSA-N 1 0 365.304 5.312 50 0 FKAARO CC[NH+](CC)[C@H](CNc1cc(C(F)(F)F)nc2ccccc21)C(C)C ZINC000089967824 221746177 /nfs/dbraw/zinc/74/61/77/221746177.db2.gz VFUXAAVNFGEROP-QGZVFWFLSA-N 1 0 353.432 5.032 50 0 FKAARO Fc1ccc2c(c1)[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)CCS2 ZINC000090805899 571076455 /nfs/dbraw/zinc/07/64/55/571076455.db2.gz XXTCEMCTMCPVFN-CWFSZBLJSA-N 1 0 357.494 5.120 50 0 FKAARO Fc1ccc2c(c1)[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)CCS2 ZINC000090805901 571189017 /nfs/dbraw/zinc/18/90/17/571189017.db2.gz XXTCEMCTMCPVFN-BEVDRBHNSA-N 1 0 357.494 5.120 50 0 FKAARO Fc1ccc2c(c1)[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)CCS2 ZINC000090805903 571188839 /nfs/dbraw/zinc/18/88/39/571188839.db2.gz XXTCEMCTMCPVFN-CDHQVMDDSA-N 1 0 357.494 5.120 50 0 FKAARO Fc1ccc2c(c1)[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)CCS2 ZINC000090805906 571188776 /nfs/dbraw/zinc/18/87/76/571188776.db2.gz XXTCEMCTMCPVFN-YSGRDPCXSA-N 1 0 357.494 5.120 50 0 FKAARO CC(C)n1ccnc1C1CC[NH+](Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000091434210 571239435 /nfs/dbraw/zinc/23/94/35/571239435.db2.gz HMRSCEDOBYGJBR-UHFFFAOYSA-N 1 0 369.406 5.002 50 0 FKAARO c1cn(CC2CCC2)c(C2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000091754588 571243290 /nfs/dbraw/zinc/24/32/90/571243290.db2.gz ZRNYYSKGVXNZGH-UHFFFAOYSA-N 1 0 359.517 5.216 50 0 FKAARO CC(C)n1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000095366051 209031570 /nfs/dbraw/zinc/03/15/70/209031570.db2.gz DGIYDWWAQLOKMN-OAHLLOKOSA-N 1 0 369.406 5.002 50 0 FKAARO CC(C)n1ccnc1[C@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000095366052 570455555 /nfs/dbraw/zinc/45/55/55/570455555.db2.gz DGIYDWWAQLOKMN-HNNXBMFYSA-N 1 0 369.406 5.002 50 0 FKAARO c1ccc2cc(C[NH2+]Cc3ccccc3OCc3cccnc3)ccc2c1 ZINC000095377638 571329211 /nfs/dbraw/zinc/32/92/11/571329211.db2.gz SEJIYVWGRHSHHR-UHFFFAOYSA-N 1 0 354.453 5.104 50 0 FKAARO CC[C@H]([NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1)c1ncc(C)s1 ZINC000095454562 205757886 /nfs/dbraw/zinc/75/78/86/205757886.db2.gz JABRWJVZTJQPEM-FUHYEJFZSA-N 1 0 372.578 5.446 50 0 FKAARO CC[C@@H]([NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1)c1ncc(C)s1 ZINC000095454563 571329938 /nfs/dbraw/zinc/32/99/38/571329938.db2.gz JABRWJVZTJQPEM-SNCIUUNGSA-N 1 0 372.578 5.446 50 0 FKAARO Clc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000095460392 571330196 /nfs/dbraw/zinc/33/01/96/571330196.db2.gz NPNZHYIFAYOAMQ-GOSISDBHSA-N 1 0 370.905 5.467 50 0 FKAARO Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000095460393 571330186 /nfs/dbraw/zinc/33/01/86/571330186.db2.gz NPNZHYIFAYOAMQ-SFHVURJKSA-N 1 0 370.905 5.467 50 0 FKAARO Clc1cccc2c1OCCC[C@H]2[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000095463792 571330350 /nfs/dbraw/zinc/33/03/50/571330350.db2.gz HBNJMVPNMGHBME-OAQYLSRUSA-N 1 0 364.876 5.406 50 0 FKAARO Clc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000095463793 209055208 /nfs/dbraw/zinc/05/52/08/209055208.db2.gz HBNJMVPNMGHBME-NRFANRHFSA-N 1 0 364.876 5.406 50 0 FKAARO CN1Cc2c(Cl)cc(Cl)cc2[C@@H](c2cccc(Br)c2)C1 ZINC000095829956 570471421 /nfs/dbraw/zinc/47/14/21/570471421.db2.gz LJCWTVCXFOSCRP-CQSZACIVSA-N 1 0 371.105 5.333 50 0 FKAARO CCCCOc1ccc(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000095918028 209087453 /nfs/dbraw/zinc/08/74/53/209087453.db2.gz HWOSUOKSSDYEIL-UHFFFAOYSA-N 1 0 373.540 5.809 50 0 FKAARO Clc1c2ccccc2sc1C[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000095946579 571332556 /nfs/dbraw/zinc/33/25/56/571332556.db2.gz XFKLEORSBJVIAM-UHFFFAOYSA-N 1 0 367.905 5.089 50 0 FKAARO C[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000095967279 209091640 /nfs/dbraw/zinc/09/16/40/209091640.db2.gz RCGIAZPWDUVYCT-AWEZNQCLSA-N 1 0 360.288 5.089 50 0 FKAARO CC[C@H]([NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C)c1ccncc1 ZINC000095968425 571333179 /nfs/dbraw/zinc/33/31/79/571333179.db2.gz PJSBTOJEZIVMGA-UGSOOPFHSA-N 1 0 355.482 5.455 50 0 FKAARO CC[C@@H]([NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C)c1ccncc1 ZINC000095968426 571333164 /nfs/dbraw/zinc/33/31/64/571333164.db2.gz PJSBTOJEZIVMGA-SCLBCKFNSA-N 1 0 355.482 5.455 50 0 FKAARO CC[C@H]([NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C)c1ccncc1 ZINC000095968427 571333172 /nfs/dbraw/zinc/33/31/72/571333172.db2.gz PJSBTOJEZIVMGA-ACJLOTCBSA-N 1 0 355.482 5.455 50 0 FKAARO CC[C@@H]([NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C)c1ccncc1 ZINC000095968428 571333224 /nfs/dbraw/zinc/33/32/24/571333224.db2.gz PJSBTOJEZIVMGA-FZKQIMNGSA-N 1 0 355.482 5.455 50 0 FKAARO c1c2ccccc2oc1[C@@H]([NH2+]CC1(c2ccccc2)CC1)c1cccnc1 ZINC000095996254 209094796 /nfs/dbraw/zinc/09/47/96/209094796.db2.gz XYFRFUGTXJGEMH-QHCPKHFHSA-N 1 0 354.453 5.239 50 0 FKAARO c1c2ccccc2oc1[C@H]([NH2+]CC1(c2ccccc2)CC1)c1cccnc1 ZINC000095996255 571333594 /nfs/dbraw/zinc/33/35/94/571333594.db2.gz XYFRFUGTXJGEMH-HSZRJFAPSA-N 1 0 354.453 5.239 50 0 FKAARO c1ccc(OCCC[N@@H+]2CCCC[C@H]2C2(c3ccccc3)CCCC2)cc1 ZINC000096027165 571334065 /nfs/dbraw/zinc/33/40/65/571334065.db2.gz SIGJRGFFKMQFIQ-DEOSSOPVSA-N 1 0 363.545 5.822 50 0 FKAARO c1ccc(OCCC[N@@H+]2CCCC[C@@H]2C2(c3ccccc3)CCCC2)cc1 ZINC000096027166 571334075 /nfs/dbraw/zinc/33/40/75/571334075.db2.gz SIGJRGFFKMQFIQ-XMMPIXPASA-N 1 0 363.545 5.822 50 0 FKAARO CC(C)[NH+](CCCNC(=O)N(c1ccccc1)c1ccccc1)C(C)C ZINC000096027279 571153034 /nfs/dbraw/zinc/15/30/34/571153034.db2.gz PGRRFCMFYRDMSS-UHFFFAOYSA-N 1 0 353.510 5.043 50 0 FKAARO c1ccc2c(c1)CCc1ccccc1C2SCCC[NH+]1CCCCC1 ZINC000096027583 571334169 /nfs/dbraw/zinc/33/41/69/571334169.db2.gz VHCGUDUCEFRYNP-UHFFFAOYSA-N 1 0 351.559 5.484 50 0 FKAARO O=C(CCC[N@H+]1CC=C(Sc2ccccc2)CC1)c1ccc(F)cc1 ZINC000096028111 571334138 /nfs/dbraw/zinc/33/41/38/571334138.db2.gz YRKNGUUHVLXRBR-UHFFFAOYSA-N 1 0 355.478 5.171 50 0 FKAARO C[C@@H](c1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1)[NH+]1CCCC1 ZINC000096141289 222046093 /nfs/dbraw/zinc/04/60/93/222046093.db2.gz QLVVCXHRIUNMJS-IBGZPJMESA-N 1 0 362.517 5.137 50 0 FKAARO C[C@H](c1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1)[NH+]1CCCC1 ZINC000096141290 570476749 /nfs/dbraw/zinc/47/67/49/570476749.db2.gz QLVVCXHRIUNMJS-LJQANCHMSA-N 1 0 362.517 5.137 50 0 FKAARO CCCC[C@@H](CC)C[C@@H](CC)C[NH2+]C[C@@H](CC)C[C@@H](CC)CCCC ZINC000096191796 222071292 /nfs/dbraw/zinc/07/12/92/222071292.db2.gz TUWPUFVJJBETKM-WAPCQROESA-N 1 0 353.679 7.841 50 0 FKAARO CCCC[C@H](CC)C[C@@H](CC)C[NH2+]C[C@@H](CC)C[C@@H](CC)CCCC ZINC000096191797 209131991 /nfs/dbraw/zinc/13/19/91/209131991.db2.gz TUWPUFVJJBETKM-NEWJYFPISA-N 1 0 353.679 7.841 50 0 FKAARO CCCC[C@@H](CC)C[C@H](CC)C[NH2+]C[C@@H](CC)C[C@@H](CC)CCCC ZINC000096191798 222071231 /nfs/dbraw/zinc/07/12/31/222071231.db2.gz TUWPUFVJJBETKM-KIHHCIJBSA-N 1 0 353.679 7.841 50 0 FKAARO CCCC[C@H](CC)C[C@H](CC)C[NH2+]C[C@@H](CC)C[C@@H](CC)CCCC ZINC000096191799 222070262 /nfs/dbraw/zinc/07/02/62/222070262.db2.gz TUWPUFVJJBETKM-ZJZGAYNASA-N 1 0 353.679 7.841 50 0 FKAARO COc1ccc(-[n+]2c(C)cc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000096191839 222070664 /nfs/dbraw/zinc/07/06/64/222070664.db2.gz SLVMIFYNCHOSRN-UHFFFAOYSA-N 1 0 352.457 5.614 50 0 FKAARO Cc1cc2[nH]c(C(=O)Nc3ccccc3Cl)c(C[NH+]3CCCC3)c2s1 ZINC000096363774 209151690 /nfs/dbraw/zinc/15/16/90/209151690.db2.gz BCNMSUCRHRCFPV-UHFFFAOYSA-N 1 0 373.909 5.039 50 0 FKAARO CCOc1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)s2)cc1OC ZINC000096998250 222149065 /nfs/dbraw/zinc/14/90/65/222149065.db2.gz QPHUBSKCEQMBAO-UHFFFAOYSA-N 1 0 371.477 5.251 50 0 FKAARO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)c3cn(C(C)(C)C)nc3C)oc21 ZINC000097016448 222150973 /nfs/dbraw/zinc/15/09/73/222150973.db2.gz SXBPMYYZBACFJY-GOEBONIOSA-N 1 0 369.509 5.503 50 0 FKAARO CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)c3cn(C(C)(C)C)nc3C)oc21 ZINC000097016451 205892384 /nfs/dbraw/zinc/89/23/84/205892384.db2.gz SXBPMYYZBACFJY-HOCLYGCPSA-N 1 0 369.509 5.503 50 0 FKAARO CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)c3cn(C(C)(C)C)nc3C)oc21 ZINC000097016452 222151209 /nfs/dbraw/zinc/15/12/09/222151209.db2.gz SXBPMYYZBACFJY-GDBMZVCRSA-N 1 0 369.509 5.503 50 0 FKAARO CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)c3cn(C(C)(C)C)nc3C)oc21 ZINC000097016454 222150866 /nfs/dbraw/zinc/15/08/66/222150866.db2.gz SXBPMYYZBACFJY-ZBFHGGJFSA-N 1 0 369.509 5.503 50 0 FKAARO Cc1ccc(C)c(N2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000097053527 132227213 /nfs/dbraw/zinc/22/72/13/132227213.db2.gz YPEYIXYQKUKTIY-UHFFFAOYSA-N 1 0 372.512 5.418 50 0 FKAARO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000097212889 571216266 /nfs/dbraw/zinc/21/62/66/571216266.db2.gz DJLQIYSJXJBUJP-UONOGXRCSA-N 1 0 372.310 5.231 50 0 FKAARO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000097212890 209174546 /nfs/dbraw/zinc/17/45/46/209174546.db2.gz DJLQIYSJXJBUJP-KBPBESRZSA-N 1 0 372.310 5.231 50 0 FKAARO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000097212891 222168326 /nfs/dbraw/zinc/16/83/26/222168326.db2.gz DJLQIYSJXJBUJP-ZIAGYGMSSA-N 1 0 372.310 5.231 50 0 FKAARO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000097212892 222169538 /nfs/dbraw/zinc/16/95/38/222169538.db2.gz DJLQIYSJXJBUJP-KGLIPLIRSA-N 1 0 372.310 5.231 50 0 FKAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2c(F)cccc2Cl)[C@H]2CCCC[C@@H]21 ZINC000097637828 209190476 /nfs/dbraw/zinc/19/04/76/209190476.db2.gz JYUOMKLASDVUOJ-YUXAGFNASA-N 1 0 373.899 5.131 50 0 FKAARO F[C@@H]1CCCCCCCCCC[C@]12[NH2+]CC1(O2)C2CC3CC(C2)CC1C3 ZINC000098174873 222230264 /nfs/dbraw/zinc/23/02/64/222230264.db2.gz DKTLWAYPDODIDS-VHVONKDCSA-N 1 0 363.561 5.750 50 0 FKAARO F[C@@H]1CCCCCCCCCC[C@@]12[NH2+]CC1(O2)C2CC3CC(C2)CC1C3 ZINC000098174874 570497676 /nfs/dbraw/zinc/49/76/76/570497676.db2.gz DKTLWAYPDODIDS-XJIMYUCMSA-N 1 0 363.561 5.750 50 0 FKAARO F[C@H]1CCCCCCCCCC[C@@]12[NH2+]CC1(O2)C2CC3CC(C2)CC1C3 ZINC000098174875 222230911 /nfs/dbraw/zinc/23/09/11/222230911.db2.gz DKTLWAYPDODIDS-SWISWOKGSA-N 1 0 363.561 5.750 50 0 FKAARO CCCC[C@@H](CC)C[NH+](C[C@H](CC)CCCC)C[C@H](CC)CCCC ZINC000100049228 222233173 /nfs/dbraw/zinc/23/31/73/222233173.db2.gz BZUDVELGTZDOIG-WXFUMESZSA-N 1 0 353.679 7.938 50 0 FKAARO CCn1c2cc(-c3ccccc3)ccc2[o+]c1CC(C)=Nc1ccccc1 ZINC000100297805 209211778 /nfs/dbraw/zinc/21/17/78/209211778.db2.gz KQMVUWZYZZFEPU-UHFFFAOYSA-O 1 0 355.461 5.880 50 0 FKAARO [NH2+]=C(Nc1csc(C(F)(F)F)c1-c1ccccc1)N1CCCCC1 ZINC000100381442 570503592 /nfs/dbraw/zinc/50/35/92/570503592.db2.gz ZWONSTYWEWETAI-UHFFFAOYSA-N 1 0 353.413 5.266 50 0 FKAARO F[C@H]1CCCCCCCCCC[C@]12[NH2+]CC1(O2)C2CC3CC(C2)CC1C3 ZINC000100645889 222248633 /nfs/dbraw/zinc/24/86/33/222248633.db2.gz DKTLWAYPDODIDS-GXDNHNOWSA-N 1 0 363.561 5.750 50 0 FKAARO C[C@H]([NH2+]CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000100744609 206225201 /nfs/dbraw/zinc/22/52/01/206225201.db2.gz GUYRJBUAYYRZRL-AJSBUHFISA-N 1 0 351.534 5.716 50 0 FKAARO C[C@H]([NH2+]CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000100744612 222252402 /nfs/dbraw/zinc/25/24/02/222252402.db2.gz GUYRJBUAYYRZRL-VJBMBRPKSA-N 1 0 351.534 5.716 50 0 FKAARO C[C@H]([NH2+]CC[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000100745530 222251502 /nfs/dbraw/zinc/25/15/02/222251502.db2.gz RWXOIELWFZDPDK-ZTCOLXNVSA-N 1 0 365.561 5.791 50 0 FKAARO C[C@H]([NH2+]CC[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000100745533 222251446 /nfs/dbraw/zinc/25/14/46/222251446.db2.gz RWXOIELWFZDPDK-OYDLWJJNSA-N 1 0 365.561 5.791 50 0 FKAARO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000101099554 571125810 /nfs/dbraw/zinc/12/58/10/571125810.db2.gz XXNRZZXPXAFYRJ-MNVNNWCQSA-N 1 0 357.497 5.328 50 0 FKAARO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000101343535 222270645 /nfs/dbraw/zinc/27/06/45/222270645.db2.gz AQYWHUJCPVLQLO-ZFILCQGISA-N 1 0 371.524 5.414 50 0 FKAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@]1(O)CCC ZINC000101652080 209381720 /nfs/dbraw/zinc/38/17/20/209381720.db2.gz UCLGIKKXOIONJU-GXWFBMCDSA-N 1 0 351.534 5.656 50 0 FKAARO COc1cc(C2C3=C(CC(C)(C)CC3)[NH2+]C3=C2CCC(C)(C)C3)ccc1O ZINC000101745381 570823253 /nfs/dbraw/zinc/82/32/53/570823253.db2.gz BHDYXWSYDOENPC-UHFFFAOYSA-N 1 0 367.533 6.016 50 0 FKAARO Cc1ccc([C@]2(CC[NH2+][C@H](C)c3cccs3)CCO[C@@H](C(C)C)C2)cc1 ZINC000101926622 222287087 /nfs/dbraw/zinc/28/70/87/222287087.db2.gz CGUCFXKLVWDOLG-KJXAQDMKSA-N 1 0 371.590 5.870 50 0 FKAARO CC1(C)Cc2ccccc2C(C=C2NC3(CCCCC3)Cc3ccccc32)=[NH+]1 ZINC000102459779 570832672 /nfs/dbraw/zinc/83/26/72/570832672.db2.gz BOFXCSVGZDDUQH-KQWNVCNZSA-N 1 0 370.540 5.700 50 0 FKAARO c1ccc([C@@H]2C3=C(c4ccccc4CC3)[N@H+]3CCO[C@@]34CCCC[C@H]24)cc1 ZINC000102692920 222305469 /nfs/dbraw/zinc/30/54/69/222305469.db2.gz CKZZOIDHUAISOG-VDKIKQQVSA-N 1 0 357.497 5.360 50 0 FKAARO CC[C@]1(C)C[C@](CC[NH2+][C@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 ZINC000102760618 206229530 /nfs/dbraw/zinc/22/95/30/206229530.db2.gz FRRPVDBEADNXFW-DUXKGJEZSA-N 1 0 351.962 6.002 50 0 FKAARO CC[C@]1(C)C[C@@](CC[NH2+][C@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 ZINC000102760623 570838307 /nfs/dbraw/zinc/83/83/07/570838307.db2.gz FRRPVDBEADNXFW-UIFIKXQLSA-N 1 0 351.962 6.002 50 0 FKAARO CC(C)CC[C@H](CC[NH2+][C@H](C)c1cccs1)[C@H]1CCOC(C)(C)C1 ZINC000102779506 570837610 /nfs/dbraw/zinc/83/76/10/570837610.db2.gz LUPYCHXACSWWHP-QRVBRYPASA-N 1 0 351.600 6.046 50 0 FKAARO CC1(C)Cc2ccccc2C(C=C2NC3(CCCC3)Cc3ccccc32)=[NH+]1 ZINC000102780751 570838030 /nfs/dbraw/zinc/83/80/30/570838030.db2.gz MLQKNLCTOBULMJ-HZHRSRAPSA-N 1 0 356.513 5.310 50 0 FKAARO CC1(C)Cc2ccccc2C(C=C2NC3(CCCCC3)Cc3ccccc32)=[NH+]1 ZINC000102780754 570838276 /nfs/dbraw/zinc/83/82/76/570838276.db2.gz CGQUMPUWJUCCIY-LFVJCYFKSA-N 1 0 370.540 5.700 50 0 FKAARO Cc1ccc([C@]2(CC[NH2+][C@H](C)c3ccccc3)CCO[C@H](C(C)C)C2)cc1 ZINC000102809898 222308219 /nfs/dbraw/zinc/30/82/19/222308219.db2.gz NKGXTFCIHUTLTA-IEZKXTBUSA-N 1 0 365.561 5.809 50 0 FKAARO COc1ccc(/C=C\C2=[NH+]c3ccc4ccccc4c3C2(C)C)cc1OC ZINC000104497365 570860029 /nfs/dbraw/zinc/86/00/29/570860029.db2.gz FNCKVYZNLUWVPQ-UVTDQMKNSA-N 1 0 357.453 5.934 50 0 FKAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)o1 ZINC000113398668 206089195 /nfs/dbraw/zinc/08/91/95/206089195.db2.gz ZNDDODAMIFQNBB-UHFFFAOYSA-N 1 0 365.864 5.117 50 0 FKAARO CCn1c2ccccc2c2cc(C[NH2+]CCc3nc4ccccc4[nH]3)ccc21 ZINC000113399075 206087667 /nfs/dbraw/zinc/08/76/67/206087667.db2.gz BTBYVWUXGNEFHL-UHFFFAOYSA-N 1 0 368.484 5.023 50 0 FKAARO Cc1ccc(-c2ccc(C[NH2+]CCc3nc4ccccc4[nH]3)o2)cc1Cl ZINC000113399125 209336337 /nfs/dbraw/zinc/33/63/37/209336337.db2.gz LJMCEYHWEURYIJ-UHFFFAOYSA-N 1 0 365.864 5.117 50 0 FKAARO CCCC[n+]1c(C)c2ccc(/C=C3\C=CN(C)c4ccccc43)ccc-2c1C ZINC000145629092 570874518 /nfs/dbraw/zinc/87/45/18/570874518.db2.gz ZKFBHZGXMKSUTC-UHFFFAOYSA-N 1 0 369.532 6.000 50 0 FKAARO Brc1ccc2c(C3=CC[N@H+](Cc4ccccc4)CC3)c[nH]c2c1 ZINC000169677334 570801690 /nfs/dbraw/zinc/80/16/90/570801690.db2.gz QQRHOHREGPLUKV-UHFFFAOYSA-N 1 0 367.290 5.220 50 0 FKAARO C[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(Cl)c(Cl)c1Cl ZINC000169950619 209374191 /nfs/dbraw/zinc/37/41/91/209374191.db2.gz RNTHWGPBLLUVLZ-TVQRCGJNSA-N 1 0 358.700 5.109 50 0 FKAARO Fc1ccc(CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 ZINC000170134709 571262381 /nfs/dbraw/zinc/26/23/81/571262381.db2.gz CTYWEIAONGUBII-UHFFFAOYSA-N 1 0 356.828 5.299 50 0 FKAARO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000170616757 571268370 /nfs/dbraw/zinc/26/83/70/571268370.db2.gz NAFUUTRIHBLRER-RWSFTLGLSA-N 1 0 354.281 5.273 50 0 FKAARO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000170616759 571268393 /nfs/dbraw/zinc/26/83/93/571268393.db2.gz NAFUUTRIHBLRER-FIXISWKDSA-N 1 0 354.281 5.273 50 0 FKAARO O=c1[nH]c2cc(Cl)ccc2c(-c2ccccc2)c1C[NH+]1CCCCC1 ZINC000170619463 571268670 /nfs/dbraw/zinc/26/86/70/571268670.db2.gz VECIVJDKAHJPNM-UHFFFAOYSA-N 1 0 352.865 5.247 50 0 FKAARO Cn1c[n+](Cc2ccc(Oc3cccc(Cl)c3Cl)cc2)cc1Cl ZINC000170644069 571281548 /nfs/dbraw/zinc/28/15/48/571281548.db2.gz CKJPWPQIJJKSQM-UHFFFAOYSA-N 1 0 368.671 5.113 50 0 FKAARO Cc1cc(NCc2ccc(Oc3cccnc3)c(F)c2)c2ccccc2[nH+]1 ZINC000195670012 263456665 /nfs/dbraw/zinc/45/66/65/263456665.db2.gz JJFODOVWLJUMDH-UHFFFAOYSA-N 1 0 359.404 5.482 50 0 FKAARO C[N@@H+]1CCC[C@H](Oc2ccc(/C=C\c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000210970901 571129834 /nfs/dbraw/zinc/12/98/34/571129834.db2.gz LWJFYUCNSCJYQW-FBQMEGEOSA-N 1 0 361.407 5.349 50 0 FKAARO Cc1c[nH]nc1C1CC[NH+](Cc2ccc(SC3CCCCC3)o2)CC1 ZINC000215268764 568060968 /nfs/dbraw/zinc/06/09/68/568060968.db2.gz WGPKTJHGYKAQNY-UHFFFAOYSA-N 1 0 359.539 5.116 50 0 FKAARO COC1CC[NH+](Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000215602594 568079397 /nfs/dbraw/zinc/07/93/97/568079397.db2.gz UELZZLNQNDVNIC-UHFFFAOYSA-N 1 0 365.395 5.109 50 0 FKAARO CC(C)c1cc([C@@H]2CCCN2Cc2ccc3cccc(Cl)c3n2)no1 ZINC000216548093 568127999 /nfs/dbraw/zinc/12/79/99/568127999.db2.gz SXONIKHXLYATQF-SFHVURJKSA-N 1 0 355.869 5.337 50 0 FKAARO CC(C)c1cc([C@H]2CCCN2Cc2ccc3cccc(Cl)c3n2)no1 ZINC000216548142 568128050 /nfs/dbraw/zinc/12/80/50/568128050.db2.gz SXONIKHXLYATQF-GOSISDBHSA-N 1 0 355.869 5.337 50 0 FKAARO COCCC[N@H+](Cc1ccc(F)cc1)Cc1ccc2cccc(Cl)c2n1 ZINC000220341031 568336545 /nfs/dbraw/zinc/33/65/45/568336545.db2.gz UHYKMHRWPMNJIY-UHFFFAOYSA-N 1 0 372.871 5.066 50 0 FKAARO CC(C)c1nc([C@H](C)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)co1 ZINC000225410093 571033781 /nfs/dbraw/zinc/03/37/81/571033781.db2.gz YFGCXKQUQBXTBB-SUMWQHHRSA-N 1 0 354.416 5.865 50 0 FKAARO CC(C)c1nc([C@@H](C)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)co1 ZINC000225410135 571033766 /nfs/dbraw/zinc/03/37/66/571033766.db2.gz YFGCXKQUQBXTBB-CXAGYDPISA-N 1 0 354.416 5.865 50 0 FKAARO CC(C)c1nc([C@H](C)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)co1 ZINC000225410175 571033677 /nfs/dbraw/zinc/03/36/77/571033677.db2.gz YFGCXKQUQBXTBB-GUYCJALGSA-N 1 0 354.416 5.865 50 0 FKAARO CC(C)c1nc([C@@H](C)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)co1 ZINC000225410217 571033790 /nfs/dbraw/zinc/03/37/90/571033790.db2.gz YFGCXKQUQBXTBB-DYVFJYSZSA-N 1 0 354.416 5.865 50 0 FKAARO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000225420509 210176677 /nfs/dbraw/zinc/17/66/77/210176677.db2.gz NAFUUTRIHBLRER-HFAKWTLXSA-N 1 0 354.281 5.273 50 0 FKAARO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000225420589 210177459 /nfs/dbraw/zinc/17/74/59/210177459.db2.gz NAFUUTRIHBLRER-UEKVPHQBSA-N 1 0 354.281 5.273 50 0 FKAARO O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000225770039 571064057 /nfs/dbraw/zinc/06/40/57/571064057.db2.gz MVQGOELRURBIEX-CQSZACIVSA-N 1 0 355.856 5.060 50 0 FKAARO O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000225770052 571064042 /nfs/dbraw/zinc/06/40/42/571064042.db2.gz MVQGOELRURBIEX-AWEZNQCLSA-N 1 0 355.856 5.060 50 0 FKAARO CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc2c1O[C@@H](c1ccsc1)OC2 ZINC000229656873 571178068 /nfs/dbraw/zinc/17/80/68/571178068.db2.gz MARXIEPXUFOSFT-QUCCMNQESA-N 1 0 361.482 5.260 50 0 FKAARO CC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc2c1O[C@@H](c1ccsc1)OC2 ZINC000229656882 210177212 /nfs/dbraw/zinc/17/72/12/210177212.db2.gz MARXIEPXUFOSFT-ICSRJNTNSA-N 1 0 361.482 5.260 50 0 FKAARO COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)ccc1OCc1ccccc1 ZINC000229911893 571095712 /nfs/dbraw/zinc/09/57/12/571095712.db2.gz IHNCFNGQGGJKIM-FCHUYYIVSA-N 1 0 365.517 5.429 50 0 FKAARO Clc1ccc(Oc2cccc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)c2)cc1 ZINC000229912383 571095695 /nfs/dbraw/zinc/09/56/95/571095695.db2.gz RYCRTNPTJUFFBR-PGRDOPGGSA-N 1 0 355.909 6.287 50 0 FKAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H](C)[C@@]1(O)CCC ZINC000229943212 571095570 /nfs/dbraw/zinc/09/55/70/571095570.db2.gz UCLGIKKXOIONJU-HOTKZRPMSA-N 1 0 351.534 5.656 50 0 FKAARO C[N@@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2Cl)C1 ZINC000230002862 571095672 /nfs/dbraw/zinc/09/56/72/571095672.db2.gz DOGYPPMIZGQYII-HOTGVXAUSA-N 1 0 368.691 5.175 50 0 FKAARO O[C@]12CCCC[C@H]1[C@H](c1ccc(F)cc1)[N@H+](C/C=C/c1ccccc1)CC2 ZINC000230033865 571340555 /nfs/dbraw/zinc/34/05/55/571340555.db2.gz WJIDANGHKXCJLA-MGYNFMGQSA-N 1 0 365.492 5.207 50 0 FKAARO C[NH2+]Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1Br ZINC000234423090 570981824 /nfs/dbraw/zinc/98/18/24/570981824.db2.gz LBSMXFUSYVESEJ-UHFFFAOYSA-N 1 0 361.066 5.268 50 0 FKAARO CC(=O)c1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)cs1 ZINC000244673708 571316752 /nfs/dbraw/zinc/31/67/52/571316752.db2.gz HUGFWBFWTWUHBZ-REPLKXPHSA-N 1 0 357.494 5.309 50 0 FKAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H](C)[C@@]1(O)Cc1ccccc1 ZINC000245254043 206786440 /nfs/dbraw/zinc/78/64/40/206786440.db2.gz YRMXCILLNZAXNX-QQWJIEJLSA-N 1 0 371.524 5.318 50 0 FKAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H](C)[C@@]1(O)Cc1ccccc1 ZINC000245254044 571316821 /nfs/dbraw/zinc/31/68/21/571316821.db2.gz YRMXCILLNZAXNX-QSWKYWCCSA-N 1 0 371.524 5.318 50 0 FKAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@]1(O)Cc1ccccc1 ZINC000245254045 210210730 /nfs/dbraw/zinc/21/07/30/210210730.db2.gz YRMXCILLNZAXNX-TYNUAKKSSA-N 1 0 371.524 5.318 50 0 FKAARO CCCC[C@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]1CCC ZINC000245296749 571316804 /nfs/dbraw/zinc/31/68/04/571316804.db2.gz POFXFTVXJUYYRI-VKZFYUIYSA-N 1 0 365.561 6.046 50 0 FKAARO CCCC[C@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1CCC ZINC000245296752 571316847 /nfs/dbraw/zinc/31/68/47/571316847.db2.gz POFXFTVXJUYYRI-WKNJGTSGSA-N 1 0 365.561 6.046 50 0 FKAARO CCCC[C@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1CCC ZINC000245296754 571316789 /nfs/dbraw/zinc/31/67/89/571316789.db2.gz POFXFTVXJUYYRI-YJMUNGTFSA-N 1 0 365.561 6.046 50 0 FKAARO C[C@H]1[C@H](O)[C@@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000245312896 525111745 /nfs/dbraw/zinc/11/17/45/525111745.db2.gz YOCSCRSTBWZYLM-AGOZMRBZSA-N 1 0 350.289 5.012 50 0 FKAARO C[C@H]1C(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000245312898 526209358 /nfs/dbraw/zinc/20/93/58/526209358.db2.gz YOCSCRSTBWZYLM-GWIYSAMLSA-N 1 0 350.289 5.012 50 0 FKAARO C[C@H]1[C@H](O)[C@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000245312900 525110729 /nfs/dbraw/zinc/11/07/29/525110729.db2.gz YOCSCRSTBWZYLM-OSAYUINNSA-N 1 0 350.289 5.012 50 0 FKAARO C[C@H]1[C@H](O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000245312902 525110518 /nfs/dbraw/zinc/11/05/18/525110518.db2.gz YOCSCRSTBWZYLM-QRODRDHMSA-N 1 0 350.289 5.012 50 0 FKAARO CC(C)CC[C@H](CC[NH2+][C@@H](C)c1cccs1)[C@H]1CCOC(C)(C)C1 ZINC000245326830 571316834 /nfs/dbraw/zinc/31/68/34/571316834.db2.gz LUPYCHXACSWWHP-OTWHNJEPSA-N 1 0 351.600 6.046 50 0 FKAARO Fc1ccc(Cn2cc(C[NH2+]C3CCCCCCC3)c3ccccc32)cc1 ZINC000247493261 571316868 /nfs/dbraw/zinc/31/68/68/571316868.db2.gz CCZHVNUQDVVUIA-UHFFFAOYSA-N 1 0 364.508 6.031 50 0 FKAARO Fc1ccc(Cn2cc(C[NH2+]CCC3=CCCCC3)c3ccccc32)cc1 ZINC000247499153 222948265 /nfs/dbraw/zinc/94/82/65/222948265.db2.gz DZFKUZLXUMOQRK-UHFFFAOYSA-N 1 0 362.492 5.809 50 0 FKAARO Fc1ccccc1Cn1cc(C[NH2+]C2CCCCCC2)c2ccccc21 ZINC000247502552 571316921 /nfs/dbraw/zinc/31/69/21/571316921.db2.gz FYMBVUBBWUQRRP-UHFFFAOYSA-N 1 0 350.481 5.641 50 0 FKAARO Fc1ccccc1CC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000247506114 222949263 /nfs/dbraw/zinc/94/92/63/222949263.db2.gz GYOMXNJBWUHZFF-UHFFFAOYSA-N 1 0 358.460 5.161 50 0 FKAARO Fc1ccc(CC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000247506152 571316975 /nfs/dbraw/zinc/31/69/75/571316975.db2.gz GYWKFIZNGUBJTG-UHFFFAOYSA-N 1 0 358.460 5.161 50 0 FKAARO Fc1ccc(Cn2cc(C[NH2+]C3CCCCC3)c3ccccc32)c(Cl)c1 ZINC000247509118 571316891 /nfs/dbraw/zinc/31/68/91/571316891.db2.gz HUPGEDRKVNJOIN-UHFFFAOYSA-N 1 0 370.899 5.904 50 0 FKAARO Fc1ccccc1Cn1cc(C[NH2+]CCc2ccccc2)c2ccccc21 ZINC000247509387 571316882 /nfs/dbraw/zinc/31/68/82/571316882.db2.gz HZNDRQSOCJOTJC-UHFFFAOYSA-N 1 0 358.460 5.161 50 0 FKAARO Fc1cccc(Cl)c1Cn1cc(C[NH2+]C2CCCC2)c2ccccc21 ZINC000247510622 570960322 /nfs/dbraw/zinc/96/03/22/570960322.db2.gz 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/nfs/dbraw/zinc/31/69/13/571316913.db2.gz PYKOSHIJOWZSQV-UHFFFAOYSA-N 1 0 370.899 5.904 50 0 FKAARO Fc1ccc(C[NH2+]Cc2cn(Cc3ccccc3F)c3ccccc23)cc1 ZINC000247537279 571316871 /nfs/dbraw/zinc/31/68/71/571316871.db2.gz QXOMGLRLHXDBJD-UHFFFAOYSA-N 1 0 362.423 5.258 50 0 FKAARO Fc1ccc(Cn2cc(C[NH2+]CCc3ccccc3)c3ccccc32)cc1 ZINC000247545077 209914912 /nfs/dbraw/zinc/91/49/12/209914912.db2.gz UDJGCJWTGPCGMO-UHFFFAOYSA-N 1 0 358.460 5.161 50 0 FKAARO Fc1ccccc1Cn1cc(C[NH2+]Cc2cccs2)c2ccccc21 ZINC000247553438 571316934 /nfs/dbraw/zinc/31/69/34/571316934.db2.gz WQLSKQVVABMIQQ-UHFFFAOYSA-N 1 0 350.462 5.180 50 0 FKAARO Fc1ccc(Cn2cc(C[NH2+]C3CCCC3)c3ccccc32)c(Cl)c1 ZINC000247557103 571316869 /nfs/dbraw/zinc/31/68/69/571316869.db2.gz XQAMKUFBYJYUHU-UHFFFAOYSA-N 1 0 356.872 5.514 50 0 FKAARO Fc1ccc(C[NH2+]Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000247560106 571316866 /nfs/dbraw/zinc/31/68/66/571316866.db2.gz YNQZNCWCSFTXRJ-UHFFFAOYSA-N 1 0 362.423 5.258 50 0 FKAARO Fc1cccc(Cl)c1Cn1cc(C[NH2+]Cc2ccco2)c2ccccc21 ZINC000247560193 571316943 /nfs/dbraw/zinc/31/69/43/571316943.db2.gz YPQCSNZUKNMLBL-UHFFFAOYSA-N 1 0 368.839 5.365 50 0 FKAARO COc1ccc(C[NH2+]Cc2cn(Cc3ccccc3F)c3ccccc23)cc1 ZINC000247872393 571316894 /nfs/dbraw/zinc/31/68/94/571316894.db2.gz DWPYGRGBVBDAPN-UHFFFAOYSA-N 1 0 374.459 5.127 50 0 FKAARO Cc1cccc(Cn2cc(C[NH2+]CCC3=CCCCC3)c3ccccc32)c1 ZINC000247880270 222954106 /nfs/dbraw/zinc/95/41/06/222954106.db2.gz BYLYFNGYWMEPKY-UHFFFAOYSA-N 1 0 358.529 5.978 50 0 FKAARO Cc1cccc(Cn2cc(C[NH2+]Cc3ccccc3Cl)c3ccccc32)c1 ZINC000247891221 571316956 /nfs/dbraw/zinc/31/69/56/571316956.db2.gz FVONKBXBQPTMRV-UHFFFAOYSA-N 1 0 374.915 5.941 50 0 FKAARO Cc1cccc(Cn2cc(C[NH2+]CCc3ccc(F)cc3)c3ccccc32)c1 ZINC000247892757 571316979 /nfs/dbraw/zinc/31/69/79/571316979.db2.gz GEFJXMYUXBHDLZ-UHFFFAOYSA-N 1 0 372.487 5.469 50 0 FKAARO COc1ccc(C[NH2+]Cc2cn(Cc3cccc(C)c3)c3ccccc23)cc1 ZINC000247894466 571316949 /nfs/dbraw/zinc/31/69/49/571316949.db2.gz GWSQQIYSXHJVNM-UHFFFAOYSA-N 1 0 370.496 5.296 50 0 FKAARO Cc1cccc(Cn2cc(C[NH2+]CCc3ccccc3F)c3ccccc32)c1 ZINC000247897869 571316907 /nfs/dbraw/zinc/31/69/07/571316907.db2.gz HSLKBPZEUNTTRB-UHFFFAOYSA-N 1 0 372.487 5.469 50 0 FKAARO Cc1cccc(Cn2cc(C[NH2+]CCc3ccccc3)c3ccccc32)c1 ZINC000247909572 571316930 /nfs/dbraw/zinc/31/69/30/571316930.db2.gz KXFRFRGFPAIJMZ-UHFFFAOYSA-N 1 0 354.497 5.330 50 0 FKAARO COc1ccc(C[NH2+]Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000247912108 571316877 /nfs/dbraw/zinc/31/68/77/571316877.db2.gz VBGQQQVJTSUCRK-UHFFFAOYSA-N 1 0 374.459 5.127 50 0 FKAARO Cc1cccc(Cn2cc(C[NH2+][C@@H](C)c3ccccc3)c3ccccc32)c1 ZINC000247916666 222956269 /nfs/dbraw/zinc/95/62/69/222956269.db2.gz MWMJSBJHDFTAAF-FQEVSTJZSA-N 1 0 354.497 5.849 50 0 FKAARO Cc1cccc(Cn2cc(C[NH2+][C@H](C)c3ccccc3)c3ccccc32)c1 ZINC000247916672 571316963 /nfs/dbraw/zinc/31/69/63/571316963.db2.gz MWMJSBJHDFTAAF-HXUWFJFHSA-N 1 0 354.497 5.849 50 0 FKAARO CCCCOCCC[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247924694 571316885 /nfs/dbraw/zinc/31/68/85/571316885.db2.gz OXWVZIYDSOJTRW-UHFFFAOYSA-N 1 0 364.533 5.294 50 0 FKAARO Cc1cccc(Cn2cc(C[NH2+]C3CCCCCCC3)c3ccccc32)c1 ZINC000247928074 571316916 /nfs/dbraw/zinc/31/69/16/571316916.db2.gz PQPWHNVLZFUMCS-UHFFFAOYSA-N 1 0 360.545 6.201 50 0 FKAARO COc1ccc(CC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000247928935 222955760 /nfs/dbraw/zinc/95/57/60/222955760.db2.gz RDRVNUGYWSXXBB-UHFFFAOYSA-N 1 0 370.496 5.031 50 0 FKAARO COc1ccccc1C[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247948208 571316902 /nfs/dbraw/zinc/31/69/02/571316902.db2.gz XFGBARUZCYKFOU-UHFFFAOYSA-N 1 0 370.496 5.296 50 0 FKAARO Cc1cccc(Cn2cc(C[NH2+]Cc3ccc(F)cc3)c3ccccc32)c1 ZINC000247949724 571316939 /nfs/dbraw/zinc/31/69/39/571316939.db2.gz XVSAGWZIHVLVSR-UHFFFAOYSA-N 1 0 358.460 5.427 50 0 FKAARO Cc1cccc(Cn2nc(C[NH2+]C3CCCCCC3)c(-c3ccccc3)n2)c1 ZINC000247951063 571316887 /nfs/dbraw/zinc/31/68/87/571316887.db2.gz YJGGRXCVKSRAGS-UHFFFAOYSA-N 1 0 374.532 5.114 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cn(Cc3cccc(C)c3)c3ccccc23)cc1 ZINC000247953774 571316967 /nfs/dbraw/zinc/31/69/67/571316967.db2.gz ZJPNVELKGDWVFA-UHFFFAOYSA-N 1 0 354.497 5.596 50 0 FKAARO CC(C)n1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000247963186 571316954 /nfs/dbraw/zinc/31/69/54/571316954.db2.gz AKCIWCOSBLNZBA-OQOKOFKUSA-N 1 0 350.550 5.917 50 0 FKAARO CC(C)n1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000247963189 571316865 /nfs/dbraw/zinc/31/68/65/571316865.db2.gz AKCIWCOSBLNZBA-QZGUCNERSA-N 1 0 350.550 5.917 50 0 FKAARO CC(C)n1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c2ccccc21 ZINC000247981025 571317101 /nfs/dbraw/zinc/31/71/01/571317101.db2.gz HDTHZIHKYIQBJB-SYQRVOMBSA-N 1 0 350.550 6.061 50 0 FKAARO CC(C)n1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000247982284 571317118 /nfs/dbraw/zinc/31/71/18/571317118.db2.gz HIJAGKFHQPSIBX-UHFFFAOYSA-N 1 0 361.316 5.861 50 0 FKAARO CCCn1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c2ccccc21 ZINC000247988394 571317055 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FKAARO Cc1ccc(C[NH2+]Cc2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000248069205 571317075 /nfs/dbraw/zinc/31/70/75/571317075.db2.gz FXDBJIRWUYASFL-UHFFFAOYSA-N 1 0 354.497 5.596 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cn(Cc3ccccc3F)c3ccccc23)cc1 ZINC000248072048 571317092 /nfs/dbraw/zinc/31/70/92/571317092.db2.gz GIAWZDKZLVJARH-UHFFFAOYSA-N 1 0 358.460 5.427 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1 ZINC000248073709 571317042 /nfs/dbraw/zinc/31/70/42/571317042.db2.gz GTYGQYSZBNVISH-UHFFFAOYSA-N 1 0 374.915 5.941 50 0 FKAARO Cc1ccc(Cn2cc(C[NH2+][C@@H](C)c3ccccc3)c3ccccc32)cc1 ZINC000248078949 571317065 /nfs/dbraw/zinc/31/70/65/571317065.db2.gz IFHCQAFLMFUJDK-FQEVSTJZSA-N 1 0 354.497 5.849 50 0 FKAARO Cc1ccc(Cn2cc(C[NH2+][C@H](C)c3ccccc3)c3ccccc32)cc1 ZINC000248078955 571317089 /nfs/dbraw/zinc/31/70/89/571317089.db2.gz IFHCQAFLMFUJDK-HXUWFJFHSA-N 1 0 354.497 5.849 50 0 FKAARO CCCCOCCC[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248079107 571317073 /nfs/dbraw/zinc/31/70/73/571317073.db2.gz IHXZUWSWMBRKNV-UHFFFAOYSA-N 1 0 364.533 5.294 50 0 FKAARO Cc1ccc(Cn2cc(C[NH2+]Cc3ccc(F)cc3)c3ccccc32)cc1 ZINC000248080162 571317015 /nfs/dbraw/zinc/31/70/15/571317015.db2.gz IOXGAQCFWIDMTA-UHFFFAOYSA-N 1 0 358.460 5.427 50 0 FKAARO COc1ccc(C[NH2+]Cc2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000248082014 571317028 /nfs/dbraw/zinc/31/70/28/571317028.db2.gz JCDXUVQFYKBEGV-UHFFFAOYSA-N 1 0 370.496 5.296 50 0 FKAARO Cc1ccc(Cn2cc(C[NH2+]CCC3=CCCCC3)c3ccccc32)cc1 ZINC000248082100 571317026 /nfs/dbraw/zinc/31/70/26/571317026.db2.gz JEMPCAABOUYBGP-UHFFFAOYSA-N 1 0 358.529 5.978 50 0 FKAARO c1ccc(Cn2nc(C[NH2+]C3CCCCCCC3)c(-c3ccccc3)n2)cc1 ZINC000248085987 571317052 /nfs/dbraw/zinc/31/70/52/571317052.db2.gz FKHZAMVUIPITMR-UHFFFAOYSA-N 1 0 374.532 5.196 50 0 FKAARO c1c(C[NH2+]C23CC4CC(CC(C4)C2)C3)c2ccccc2n1Cc1ccccc1 ZINC000248087932 571317098 /nfs/dbraw/zinc/31/70/98/571317098.db2.gz FXLPLOANEUAKHK-UHFFFAOYSA-N 1 0 370.540 5.748 50 0 FKAARO Cc1ccc(Cn2cc(C[NH2+]CCc3ccccc3F)c3ccccc32)cc1 ZINC000248098255 571316986 /nfs/dbraw/zinc/31/69/86/571316986.db2.gz MYTGRCUUBKPNMJ-UHFFFAOYSA-N 1 0 372.487 5.469 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cn(Cc3ccccc3C)c3ccccc23)cc1 ZINC000248111061 571317069 /nfs/dbraw/zinc/31/70/69/571317069.db2.gz QWFVAIITFGMCFP-UHFFFAOYSA-N 1 0 354.497 5.596 50 0 FKAARO c1c(C[NH2+]C2C3CC4CC(C3)CC2C4)c2ccccc2n1Cc1ccccc1 ZINC000248113834 571317013 /nfs/dbraw/zinc/31/70/13/571317013.db2.gz OWCKKYTUYFHJLE-UHFFFAOYSA-N 1 0 370.540 5.604 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 ZINC000248114822 571317022 /nfs/dbraw/zinc/31/70/22/571317022.db2.gz SBFBCKJCWWYKAJ-UHFFFAOYSA-N 1 0 374.915 5.941 50 0 FKAARO COc1ccccc1C[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248115965 206570624 /nfs/dbraw/zinc/57/06/24/206570624.db2.gz SKZZINNWGLORGM-UHFFFAOYSA-N 1 0 370.496 5.296 50 0 FKAARO Cc1ccc(Cn2cc(C[NH2+]C3CCCCCCC3)c3ccccc32)cc1 ZINC000248123291 571317096 /nfs/dbraw/zinc/31/70/96/571317096.db2.gz WAIPQNKULORSPY-UHFFFAOYSA-N 1 0 360.545 6.201 50 0 FKAARO Cc1ccc(Cn2cc(C[NH2+]CCc3ccccc3)c3ccccc32)cc1 ZINC000248128701 571316991 /nfs/dbraw/zinc/31/69/91/571316991.db2.gz XTCUKYIKUCKXFY-UHFFFAOYSA-N 1 0 354.497 5.330 50 0 FKAARO CCCCOCCC[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248129338 209925680 /nfs/dbraw/zinc/92/56/80/209925680.db2.gz ACWJBMQUELBVJP-UHFFFAOYSA-N 1 0 364.533 5.294 50 0 FKAARO Cc1ccc(C[NH2+]Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000248132034 571316993 /nfs/dbraw/zinc/31/69/93/571316993.db2.gz ZBHUHYFACVJLIL-UHFFFAOYSA-N 1 0 358.460 5.427 50 0 FKAARO Cc1ccc(Cn2cc(C[NH2+]CCc3ccc(F)cc3)c3ccccc32)cc1 ZINC000248133842 571317049 /nfs/dbraw/zinc/31/70/49/571317049.db2.gz ZNTAVPQNRDJITQ-UHFFFAOYSA-N 1 0 372.487 5.469 50 0 FKAARO COc1ccccc1C[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000248134804 571317009 /nfs/dbraw/zinc/31/70/09/571317009.db2.gz MGLMBLQTSFWIOV-UHFFFAOYSA-N 1 0 374.459 5.127 50 0 FKAARO Cc1ccccc1Cn1cc(C[NH2+]CCc2ccccc2F)c2ccccc21 ZINC000248139485 571317106 /nfs/dbraw/zinc/31/71/06/571317106.db2.gz FEAVCYIUMNAIGD-UHFFFAOYSA-N 1 0 372.487 5.469 50 0 FKAARO COc1ccccc1C[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248143685 571317086 /nfs/dbraw/zinc/31/70/86/571317086.db2.gz GLSTYZCIEFSUHQ-UHFFFAOYSA-N 1 0 370.496 5.296 50 0 FKAARO Cc1ccccc1Cn1cc(C[NH2+]CCC2=CCCCC2)c2ccccc21 ZINC000248149133 571317019 /nfs/dbraw/zinc/31/70/19/571317019.db2.gz JBIXYDCSPNPXRQ-UHFFFAOYSA-N 1 0 358.529 5.978 50 0 FKAARO COc1ccccc1C[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000248150763 571317000 /nfs/dbraw/zinc/31/70/00/571317000.db2.gz VUXWISMJLFMCPZ-UHFFFAOYSA-N 1 0 374.459 5.127 50 0 FKAARO CCCCOCCC[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000248155695 222964310 /nfs/dbraw/zinc/96/43/10/222964310.db2.gz IJHUFFQLPLZGHQ-UHFFFAOYSA-N 1 0 368.496 5.125 50 0 FKAARO Cc1ccccc1Cn1cc(C[NH2+]CCc2ccccc2)c2ccccc21 ZINC000248160731 209925789 /nfs/dbraw/zinc/92/57/89/209925789.db2.gz OHOODRYIJZEOBO-UHFFFAOYSA-N 1 0 354.497 5.330 50 0 FKAARO Cc1ccccc1Cn1cc(C[NH2+][C@@H](C)c2ccccc2)c2ccccc21 ZINC000248166930 571317035 /nfs/dbraw/zinc/31/70/35/571317035.db2.gz SESLGIVFZHOHCA-FQEVSTJZSA-N 1 0 354.497 5.849 50 0 FKAARO Cc1ccccc1Cn1cc(C[NH2+][C@H](C)c2ccccc2)c2ccccc21 ZINC000248166932 571317046 /nfs/dbraw/zinc/31/70/46/571317046.db2.gz SESLGIVFZHOHCA-HXUWFJFHSA-N 1 0 354.497 5.849 50 0 FKAARO Cc1ccccc1Cn1cc(C[NH2+]C2CCCCCCC2)c2ccccc21 ZINC000248170287 571317216 /nfs/dbraw/zinc/31/72/16/571317216.db2.gz VOQZYJQDKPAPCR-UHFFFAOYSA-N 1 0 360.545 6.201 50 0 FKAARO Cc1ccccc1Cn1nc(C[NH2+]C2CCCCCC2)c(-c2ccccc2)n1 ZINC000248170292 571317197 /nfs/dbraw/zinc/31/71/97/571317197.db2.gz VOTNTVACDHCBIM-UHFFFAOYSA-N 1 0 374.532 5.114 50 0 FKAARO CCCCOCCC[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000248170331 571317212 /nfs/dbraw/zinc/31/72/12/571317212.db2.gz RNUSWMHUXDKWLG-UHFFFAOYSA-N 1 0 368.496 5.125 50 0 FKAARO COc1ccc(C[NH2+]Cc2cn(Cc3ccccc3C)c3ccccc23)cc1 ZINC000248170765 571317193 /nfs/dbraw/zinc/31/71/93/571317193.db2.gz VXAJGTUTSLAQDB-UHFFFAOYSA-N 1 0 370.496 5.296 50 0 FKAARO Cc1ccccc1Cn1cc(C[NH2+]Cc2ccc(F)cc2)c2ccccc21 ZINC000248173352 571317142 /nfs/dbraw/zinc/31/71/42/571317142.db2.gz XQBDOBWHLNZIKT-UHFFFAOYSA-N 1 0 358.460 5.427 50 0 FKAARO Cc1ccccc1Cn1cc(C[NH2+]CCc2ccc(F)cc2)c2ccccc21 ZINC000248174157 571317240 /nfs/dbraw/zinc/31/72/40/571317240.db2.gz YELNNVIJFTXBOT-UHFFFAOYSA-N 1 0 372.487 5.469 50 0 FKAARO Cc1ccccc1Cn1cc(C[NH2+]Cc2ccccc2Cl)c2ccccc21 ZINC000248177167 571317185 /nfs/dbraw/zinc/31/71/85/571317185.db2.gz ZLWAUJBMCZJJPV-UHFFFAOYSA-N 1 0 374.915 5.941 50 0 FKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248200972 571317239 /nfs/dbraw/zinc/31/72/39/571317239.db2.gz VTKITJNDYXMQKI-NRFANRHFSA-N 1 0 368.524 5.801 50 0 FKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248200973 571317153 /nfs/dbraw/zinc/31/71/53/571317153.db2.gz VTKITJNDYXMQKI-OAQYLSRUSA-N 1 0 368.524 5.801 50 0 FKAARO CC(C)C[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000248210322 209372168 /nfs/dbraw/zinc/37/21/68/209372168.db2.gz CVIVZGPABHINIV-UHFFFAOYSA-N 1 0 361.316 5.742 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000248217447 571317203 /nfs/dbraw/zinc/31/72/03/571317203.db2.gz GWKPSNIGPJCNSL-AWEZNQCLSA-N 1 0 361.316 5.885 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000248217452 571317190 /nfs/dbraw/zinc/31/71/90/571317190.db2.gz GWKPSNIGPJCNSL-CQSZACIVSA-N 1 0 361.316 5.885 50 0 FKAARO CCCC[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000248219724 571317170 /nfs/dbraw/zinc/31/71/70/571317170.db2.gz HLNHVNBGVPSYOE-UHFFFAOYSA-N 1 0 361.316 5.886 50 0 FKAARO CC[C@H](C)[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000248220427 571317151 /nfs/dbraw/zinc/31/71/51/571317151.db2.gz HOUFZZFSCDPNND-AWEZNQCLSA-N 1 0 361.316 5.885 50 0 FKAARO CC[C@@H](C)[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000248220429 222966700 /nfs/dbraw/zinc/96/67/00/222966700.db2.gz HOUFZZFSCDPNND-CQSZACIVSA-N 1 0 361.316 5.885 50 0 FKAARO C[C@@H]([NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12)c1ccccc1 ZINC000248230474 571317243 /nfs/dbraw/zinc/31/72/43/571317243.db2.gz BIZSYHFLUUUNTA-GOSISDBHSA-N 1 0 374.915 6.194 50 0 FKAARO C[C@H]([NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12)c1ccccc1 ZINC000248230495 571317166 /nfs/dbraw/zinc/31/71/66/571317166.db2.gz BIZSYHFLUUUNTA-SFHVURJKSA-N 1 0 374.915 6.194 50 0 FKAARO CCC[C@@H]([NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000248234854 571317228 /nfs/dbraw/zinc/31/72/28/571317228.db2.gz MEFVURAJDIQTRP-RUZDIDTESA-N 1 0 368.524 6.321 50 0 FKAARO CCC[C@H]([NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000248234857 571317236 /nfs/dbraw/zinc/31/72/36/571317236.db2.gz MEFVURAJDIQTRP-VWLOTQADSA-N 1 0 368.524 6.321 50 0 FKAARO CCCC[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000248236203 571317241 /nfs/dbraw/zinc/31/72/41/571317241.db2.gz MQZFJSBXEHXDSD-UHFFFAOYSA-N 1 0 361.316 5.886 50 0 FKAARO C[C@@H]([NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1 ZINC000248236423 571317232 /nfs/dbraw/zinc/31/72/32/571317232.db2.gz DVSGQMLQXJWUHJ-GOSISDBHSA-N 1 0 358.460 5.680 50 0 FKAARO C[C@H]([NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1 ZINC000248236424 571317205 /nfs/dbraw/zinc/31/72/05/571317205.db2.gz DVSGQMLQXJWUHJ-SFHVURJKSA-N 1 0 358.460 5.680 50 0 FKAARO Cc1ccccc1Cn1cc(C[NH2+]C(C)(C)CC(C)(C)C)c2ccccc21 ZINC000248237310 571317129 /nfs/dbraw/zinc/31/71/29/571317129.db2.gz COUJJUYLNRGIJE-UHFFFAOYSA-N 1 0 362.561 6.302 50 0 FKAARO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1 ZINC000248238358 571317245 /nfs/dbraw/zinc/31/72/45/571317245.db2.gz FSPCSPRUAUTEQD-GOSISDBHSA-N 1 0 358.460 5.680 50 0 FKAARO C[C@H]([NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1 ZINC000248238360 571317138 /nfs/dbraw/zinc/31/71/38/571317138.db2.gz FSPCSPRUAUTEQD-SFHVURJKSA-N 1 0 358.460 5.680 50 0 FKAARO CC(C)CC[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000248239345 571317181 /nfs/dbraw/zinc/31/71/81/571317181.db2.gz DIHISGZACCEUAI-UHFFFAOYSA-N 1 0 358.888 5.618 50 0 FKAARO CC(C)C[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000248239589 571317179 /nfs/dbraw/zinc/31/71/79/571317179.db2.gz NUOKEKJRSWCNOO-UHFFFAOYSA-N 1 0 361.316 5.742 50 0 FKAARO Cc1cccc(Cn2cc(C[NH2+]C(C)(C)CC(C)(C)C)c3ccccc32)c1 ZINC000248243665 571317247 /nfs/dbraw/zinc/31/72/47/571317247.db2.gz FVELCEMFZRGMSM-UHFFFAOYSA-N 1 0 362.561 6.302 50 0 FKAARO CCCCC[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000248243850 209927381 /nfs/dbraw/zinc/92/73/81/209927381.db2.gz GACBVMOKIWLXJC-UHFFFAOYSA-N 1 0 358.888 5.762 50 0 FKAARO CCCCCC[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000248249082 571317156 /nfs/dbraw/zinc/31/71/56/571317156.db2.gz IDUHOOYMZGUNRK-UHFFFAOYSA-N 1 0 372.915 6.152 50 0 FKAARO C[C@@H]([NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1 ZINC000248250135 571317248 /nfs/dbraw/zinc/31/72/48/571317248.db2.gz LQCPEPCFKQRNRD-GOSISDBHSA-N 1 0 374.915 6.194 50 0 FKAARO C[C@H]([NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1 ZINC000248250137 571317133 /nfs/dbraw/zinc/31/71/33/571317133.db2.gz LQCPEPCFKQRNRD-SFHVURJKSA-N 1 0 374.915 6.194 50 0 FKAARO CCCCCC[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000248253441 571317242 /nfs/dbraw/zinc/31/72/42/571317242.db2.gz JVRMPPYPXSLLJN-UHFFFAOYSA-N 1 0 372.915 6.152 50 0 FKAARO CCCCCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248253915 571317148 /nfs/dbraw/zinc/31/71/48/571317148.db2.gz JZMUNIKTEAQJAP-UHFFFAOYSA-N 1 0 354.925 6.013 50 0 FKAARO CC(C)(C)[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000248254494 206129203 /nfs/dbraw/zinc/12/92/03/206129203.db2.gz UDEWNVPKRSNBAP-UHFFFAOYSA-N 1 0 361.316 5.885 50 0 FKAARO CC(C)(C)[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000248256732 571317214 /nfs/dbraw/zinc/31/72/14/571317214.db2.gz UZOGWULWVOOTIA-UHFFFAOYSA-N 1 0 361.316 5.885 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000248256961 571317172 /nfs/dbraw/zinc/31/71/72/571317172.db2.gz LDYRIGUVXOQPPS-UHFFFAOYSA-N 1 0 366.524 6.133 50 0 FKAARO COc1ccccc1CC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248257691 571317209 /nfs/dbraw/zinc/31/72/09/571317209.db2.gz UBHNUUHMCJDIOB-UHFFFAOYSA-N 1 0 370.496 5.031 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000248259671 571317131 /nfs/dbraw/zinc/31/71/31/571317131.db2.gz MBFOAEVACYJVBN-UHFFFAOYSA-N 1 0 358.888 5.760 50 0 FKAARO CCCn1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000248260258 571317178 /nfs/dbraw/zinc/31/71/78/571317178.db2.gz QELXWVKKMUUUIW-OQOKOFKUSA-N 1 0 350.550 5.746 50 0 FKAARO CCCn1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000248260262 222966557 /nfs/dbraw/zinc/96/65/57/222966557.db2.gz QELXWVKKMUUUIW-QZGUCNERSA-N 1 0 350.550 5.746 50 0 FKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000248263411 571317218 /nfs/dbraw/zinc/31/72/18/571317218.db2.gz NJARXNQDJWEMRN-UHFFFAOYSA-N 1 0 366.524 6.133 50 0 FKAARO CCC(C)(C)[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000248272280 571317281 /nfs/dbraw/zinc/31/72/81/571317281.db2.gz QPZJVZLNVAFWMV-UHFFFAOYSA-N 1 0 358.888 5.760 50 0 FKAARO CCCCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248273319 571317253 /nfs/dbraw/zinc/31/72/53/571317253.db2.gz QZLOJTVZEZUUMD-UHFFFAOYSA-N 1 0 354.925 6.013 50 0 FKAARO CC[N@H+](CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000248276339 521159679 /nfs/dbraw/zinc/15/96/79/521159679.db2.gz YQZJWOZCQJLDGZ-BJKOFHAPSA-N 1 0 365.561 5.888 50 0 FKAARO Cc1ccc(Cn2cc(C[NH2+]C(C)(C)CC(C)(C)C)c3ccccc32)cc1 ZINC000248294244 571317275 /nfs/dbraw/zinc/31/72/75/571317275.db2.gz VWIVPZSNJXHGBL-UHFFFAOYSA-N 1 0 362.561 6.302 50 0 FKAARO CC(C)CC[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000248294561 571317277 /nfs/dbraw/zinc/31/72/77/571317277.db2.gz WDQAWWWRYKSQGE-UHFFFAOYSA-N 1 0 358.888 5.618 50 0 FKAARO CCCCC[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000248296056 571317278 /nfs/dbraw/zinc/31/72/78/571317278.db2.gz XGQRFFFRYFJAMM-UHFFFAOYSA-N 1 0 358.888 5.762 50 0 FKAARO CCN1CCC[C@@H]([NH2+][C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)C1 ZINC000249695827 521625876 /nfs/dbraw/zinc/62/58/76/521625876.db2.gz RONGSPKZYAIJGX-MJGOQNOKSA-N 1 0 372.965 5.162 50 0 FKAARO CCN1CCC[C@H]1C[NH2+][C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000249701201 521658322 /nfs/dbraw/zinc/65/83/22/521658322.db2.gz YFPIRWFEOJUQFS-HKUYNNGSSA-N 1 0 372.965 5.162 50 0 FKAARO CCN1CCC[C@@H]1C[NH2+][C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000249701203 521640528 /nfs/dbraw/zinc/64/05/28/521640528.db2.gz YFPIRWFEOJUQFS-MJGOQNOKSA-N 1 0 372.965 5.162 50 0 FKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[NH2+]CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000252441351 519648305 /nfs/dbraw/zinc/64/83/05/519648305.db2.gz SAWPPQLIWVGNDH-QQIMNDNASA-N 1 0 359.642 6.670 50 0 FKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[NH2+]CC[C@]4(C)[C@H]3CC[C@]21C ZINC000252441352 519648364 /nfs/dbraw/zinc/64/83/64/519648364.db2.gz SAWPPQLIWVGNDH-UAONAUEWSA-N 1 0 359.642 6.670 50 0 FKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[NH2+]CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000252441353 519648451 /nfs/dbraw/zinc/64/84/51/519648451.db2.gz SAWPPQLIWVGNDH-YBROCEJWSA-N 1 0 359.642 6.670 50 0 FKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[NH2+]CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252462409 519648618 /nfs/dbraw/zinc/64/86/18/519648618.db2.gz SAWPPQLIWVGNDH-GMNGQVLLSA-N 1 0 359.642 6.670 50 0 FKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[NH2+]CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000252462410 519648632 /nfs/dbraw/zinc/64/86/32/519648632.db2.gz SAWPPQLIWVGNDH-SIMQSIEHSA-N 1 0 359.642 6.670 50 0 FKAARO CCCC[C@H](CC)COC[n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000252493605 206575222 /nfs/dbraw/zinc/57/52/22/206575222.db2.gz NDTBKQCFTMMPQB-FQEVSTJZSA-N 1 0 351.514 5.168 50 0 FKAARO CCCC[C@@H](CC)COC[n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000252493606 571317408 /nfs/dbraw/zinc/31/74/08/571317408.db2.gz NDTBKQCFTMMPQB-HXUWFJFHSA-N 1 0 351.514 5.168 50 0 FKAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H]1C(O)(C1CCCCC1)C1CCCCC1 ZINC000252596564 526099884 /nfs/dbraw/zinc/09/98/84/526099884.db2.gz CKNQGYBCGDCJJQ-XXBNENTESA-N 1 0 355.566 5.714 50 0 FKAARO C[N@@H+]1CCC[C@@H](Oc2ccc(/C=C\c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000252620045 571287416 /nfs/dbraw/zinc/28/74/16/571287416.db2.gz LWJFYUCNSCJYQW-BBIZLLLXSA-N 1 0 361.407 5.349 50 0 FKAARO CC(C)OCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000253372697 571317512 /nfs/dbraw/zinc/31/75/12/571317512.db2.gz GFWXSSFISSXFME-UHFFFAOYSA-N 1 0 370.924 5.248 50 0 FKAARO CC(C)OCCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000253375708 571317489 /nfs/dbraw/zinc/31/74/89/571317489.db2.gz QSJSRZZTSBVGHN-UHFFFAOYSA-N 1 0 370.924 5.248 50 0 FKAARO CC[NH+](CC)CC1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000253471509 571318592 /nfs/dbraw/zinc/31/85/92/571318592.db2.gz UIRHDPTXWGMSTH-UHFFFAOYSA-N 1 0 370.496 5.381 50 0 FKAARO Clc1ccc(Cn2cc(C[NH2+]CCc3ccccc3)c3ccccc32)cc1 ZINC000253488851 571317640 /nfs/dbraw/zinc/31/76/40/571317640.db2.gz CANIDNDGEHRSQD-UHFFFAOYSA-N 1 0 374.915 5.675 50 0 FKAARO Clc1ccc(Cn2cc(C[NH2+]Cc3ccccc3)c3ccccc32)cc1 ZINC000253488902 571317645 /nfs/dbraw/zinc/31/76/45/571317645.db2.gz CFAVYXSJXVOCBM-UHFFFAOYSA-N 1 0 360.888 5.633 50 0 FKAARO Clc1cccc(Cn2cc(C[NH2+]Cc3ccccc3)c3ccccc32)c1 ZINC000253489549 571317605 /nfs/dbraw/zinc/31/76/05/571317605.db2.gz FOUVBWWXQYSRBV-UHFFFAOYSA-N 1 0 360.888 5.633 50 0 FKAARO Clc1cccc(Cl)c1Cn1cc(C[NH2+]C2CCCC2)c2ccccc21 ZINC000253489813 571317633 /nfs/dbraw/zinc/31/76/33/571317633.db2.gz GMNRPJZYZDSQKF-UHFFFAOYSA-N 1 0 373.327 6.029 50 0 FKAARO Clc1ccc(Cn2cc(C[NH2+]Cc3ccco3)c3ccccc32)cc1 ZINC000253489884 209944927 /nfs/dbraw/zinc/94/49/27/209944927.db2.gz GSLWIMFSZCQBLI-UHFFFAOYSA-N 1 0 350.849 5.226 50 0 FKAARO Clc1cccc(Cn2cc(C[NH2+]C3CCCCC3)c3ccccc32)c1 ZINC000253490620 571317644 /nfs/dbraw/zinc/31/76/44/571317644.db2.gz JNBBKNZGADPEPD-UHFFFAOYSA-N 1 0 352.909 5.765 50 0 FKAARO Clc1ccccc1C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000253490865 571317619 /nfs/dbraw/zinc/31/76/19/571317619.db2.gz KGOMMTZRBSXJGK-UHFFFAOYSA-N 1 0 360.888 5.633 50 0 FKAARO Clc1cccc(Cn2cc(C[NH2+]Cc3cccs3)c3ccccc32)c1 ZINC000253491041 571317612 /nfs/dbraw/zinc/31/76/12/571317612.db2.gz KZBSZFHQRYLKSP-UHFFFAOYSA-N 1 0 366.917 5.694 50 0 FKAARO Clc1cccc(Cn2cc(C[NH2+]C3CCCCCC3)c3ccccc32)c1 ZINC000253491465 571317655 /nfs/dbraw/zinc/31/76/55/571317655.db2.gz MSHYJLVANUEGDV-UHFFFAOYSA-N 1 0 366.936 6.155 50 0 FKAARO Clc1ccc(Cn2cc(C[NH2+]Cc3ccccn3)c3ccccc32)cc1 ZINC000253491493 571317659 /nfs/dbraw/zinc/31/76/59/571317659.db2.gz MTUAOKQMAJSESC-UHFFFAOYSA-N 1 0 361.876 5.028 50 0 FKAARO Clc1ccc(Cn2cc(C[NH2+]C3CCCCC3)c3ccccc32)cc1 ZINC000253492097 571317641 /nfs/dbraw/zinc/31/76/41/571317641.db2.gz OSJYKZOLEHXUMP-UHFFFAOYSA-N 1 0 352.909 5.765 50 0 FKAARO Clc1cccc(Cn2cc(C[NH2+]Cc3cccnc3)c3ccccc32)c1 ZINC000253492612 571317628 /nfs/dbraw/zinc/31/76/28/571317628.db2.gz QLYYMDJHZUNCNB-UHFFFAOYSA-N 1 0 361.876 5.028 50 0 FKAARO Clc1ccc(CC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000253494413 222990820 /nfs/dbraw/zinc/99/08/20/222990820.db2.gz XKROVDKBZKNPHO-UHFFFAOYSA-N 1 0 374.915 5.675 50 0 FKAARO Clc1ccc(Cn2cc(C[NH2+]C3CCCC3)c3ccccc32)cc1Cl ZINC000253494458 571317626 /nfs/dbraw/zinc/31/76/26/571317626.db2.gz XONZRYAICZQRAG-UHFFFAOYSA-N 1 0 373.327 6.029 50 0 FKAARO Clc1cccc(Cn2cc(C[NH2+]Cc3ccncc3)c3ccccc32)c1 ZINC000253494491 571317603 /nfs/dbraw/zinc/31/76/03/571317603.db2.gz XSJWWQISFGODMC-UHFFFAOYSA-N 1 0 361.876 5.028 50 0 FKAARO Clc1ccc(Cn2cc(C[NH2+]Cc3cccs3)c3ccccc32)cc1 ZINC000253494519 571317647 /nfs/dbraw/zinc/31/76/47/571317647.db2.gz XUQNSZFQKBAPEJ-UHFFFAOYSA-N 1 0 366.917 5.694 50 0 FKAARO Clc1ccc(Cn2cc(C[NH2+]C3CCCCCC3)c3ccccc32)cc1 ZINC000253494578 571317617 /nfs/dbraw/zinc/31/76/17/571317617.db2.gz XZZVMFPQTIFUSC-UHFFFAOYSA-N 1 0 366.936 6.155 50 0 FKAARO Clc1cccc(Cn2cc(C[NH2+]CCc3ccccc3)c3ccccc32)c1 ZINC000253494741 571317609 /nfs/dbraw/zinc/31/76/09/571317609.db2.gz YOAWBLOIVYTUFA-UHFFFAOYSA-N 1 0 374.915 5.675 50 0 FKAARO Clc1ccc(Cn2cc(C[NH2+]Cc3ccncc3)c3ccccc32)cc1 ZINC000253494782 571317600 /nfs/dbraw/zinc/31/76/00/571317600.db2.gz YTLIOWDOMNXLTD-UHFFFAOYSA-N 1 0 361.876 5.028 50 0 FKAARO Clc1cccc(Cn2cc(C[NH2+]Cc3ccco3)c3ccccc32)c1 ZINC000253495086 571317598 /nfs/dbraw/zinc/31/75/98/571317598.db2.gz ZUDYTKCUPJXNMB-UHFFFAOYSA-N 1 0 350.849 5.226 50 0 FKAARO Clc1ccc(Cn2cc(C[NH2+]Cc3cccnc3)c3ccccc32)cc1 ZINC000253495105 571317610 /nfs/dbraw/zinc/31/76/10/571317610.db2.gz ZUZVVRLAWDRFGC-UHFFFAOYSA-N 1 0 361.876 5.028 50 0 FKAARO Clc1cccc(Cn2cc(C[NH2+]Cc3ccccn3)c3ccccc32)c1 ZINC000253495147 571317656 /nfs/dbraw/zinc/31/76/56/571317656.db2.gz ZZSRJOIVDTUMQO-UHFFFAOYSA-N 1 0 361.876 5.028 50 0 FKAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]Cc3ccsc3)cc2c1 ZINC000299761712 210012803 /nfs/dbraw/zinc/01/28/03/210012803.db2.gz NEIDPACVONDIRN-UHFFFAOYSA-N 1 0 362.473 5.701 50 0 FKAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccccc2Cl)cc1 ZINC000299762575 223084737 /nfs/dbraw/zinc/08/47/37/223084737.db2.gz NTFIHRRRKHYYLX-HXUWFJFHSA-N 1 0 371.912 5.161 50 0 FKAARO Clc1cccc(-c2cc3c(c(OCc4ccsc4)c2)OCC[NH2+]C3)c1 ZINC000299792478 210034437 /nfs/dbraw/zinc/03/44/37/210034437.db2.gz FIFSXDQDKUXHDG-UHFFFAOYSA-N 1 0 371.889 5.130 50 0 FKAARO CC1(C)[C@@H](c2ccccc2)N(O)C(c2ccccc2)=C(c2ccccc2)[N+]1=O ZINC000334157292 571319261 /nfs/dbraw/zinc/31/92/61/571319261.db2.gz JFWXCHREBUGAMR-HSZRJFAPSA-N 1 0 371.460 5.516 50 0 FKAARO CC1(C)[C@H](c2ccccc2)N(O)C(c2ccccc2)=C(c2ccccc2)[N+]1=O ZINC000334157293 571319280 /nfs/dbraw/zinc/31/92/80/571319280.db2.gz JFWXCHREBUGAMR-QHCPKHFHSA-N 1 0 371.460 5.516 50 0 FKAARO CCCCCCc1ccc(N[N+](=O)c2ccc(CCCCCC)cc2)cc1 ZINC000409415731 263559227 /nfs/dbraw/zinc/55/92/27/263559227.db2.gz ZPDWDNMMIVPQIY-UHFFFAOYSA-N 1 0 367.557 7.370 50 0 FKAARO O=[N+](Nc1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1 ZINC000409415924 263559703 /nfs/dbraw/zinc/55/97/03/263559703.db2.gz QFDWCBVTFFKDAT-UHFFFAOYSA-N 1 0 351.429 6.458 50 0 FKAARO CCC[C@H]1C=CCN1C(=O)c1cccc(-c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000426683824 263656540 /nfs/dbraw/zinc/65/65/40/263656540.db2.gz NVDKRSYSWPDBKR-DEOSSOPVSA-N 1 0 374.528 5.130 50 0 FKAARO CCC[C@@H]1C=CCN1C(=O)c1cccc(-c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000426683825 570609082 /nfs/dbraw/zinc/60/90/82/570609082.db2.gz NVDKRSYSWPDBKR-XMMPIXPASA-N 1 0 374.528 5.130 50 0 FKAARO O=C(CC[NH+]1CCCCC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000575442799 571152014 /nfs/dbraw/zinc/15/20/14/571152014.db2.gz AXDYXLIGCFPHGL-UHFFFAOYSA-N 1 0 372.921 5.345 50 0 FKAARO Clc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c(Cl)c1 ZINC000584904372 571156341 /nfs/dbraw/zinc/15/63/41/571156341.db2.gz ONAOYDSXVRGDBF-PMACEKPBSA-N 1 0 367.364 5.222 50 0 FKAARO Clc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c(Cl)c1 ZINC000584904373 571156459 /nfs/dbraw/zinc/15/64/59/571156459.db2.gz ONAOYDSXVRGDBF-VQTJNVASSA-N 1 0 367.364 5.222 50 0 FKAARO Clc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c(Cl)c1 ZINC000584904374 571156408 /nfs/dbraw/zinc/15/64/08/571156408.db2.gz ONAOYDSXVRGDBF-WOJBJXKFSA-N 1 0 367.364 5.222 50 0 FKAARO Clc1cccc(Cl)c1CN1CC[N@@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000584904420 571156369 /nfs/dbraw/zinc/15/63/69/571156369.db2.gz SRUKOPZYMRZGLU-PMACEKPBSA-N 1 0 367.364 5.222 50 0 FKAARO Clc1cccc(Cl)c1CN1CC[N@@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000584904421 570664136 /nfs/dbraw/zinc/66/41/36/570664136.db2.gz SRUKOPZYMRZGLU-VQTJNVASSA-N 1 0 367.364 5.222 50 0 FKAARO Clc1cccc(Cl)c1CN1CC[N@@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000584904422 571156400 /nfs/dbraw/zinc/15/64/00/571156400.db2.gz SRUKOPZYMRZGLU-WOJBJXKFSA-N 1 0 367.364 5.222 50 0 FKAARO C[C@@H](Cc1ccccc1)[NH2+]CC(=O)N1c2ccccc2Sc2ccccc21 ZINC000669368908 571173858 /nfs/dbraw/zinc/17/38/58/571173858.db2.gz PZTBMDZMMKFSOF-KRWDZBQOSA-N 1 0 374.509 5.037 50 0 FKAARO C[C@H](Cc1ccccc1)[NH2+]CC(=O)N1c2ccccc2Sc2ccccc21 ZINC000669368909 571173889 /nfs/dbraw/zinc/17/38/89/571173889.db2.gz PZTBMDZMMKFSOF-QGZVFWFLSA-N 1 0 374.509 5.037 50 0 FKAARO CN1c2ccccc2SC1=Cc1cc(-c2ccccc2)[o+]c2c1CCCC2 ZINC000685944257 571104258 /nfs/dbraw/zinc/10/42/58/571104258.db2.gz HITDGIBRVLAGQT-FBMGVBCBSA-N 1 0 372.513 6.009 50 0 FKAARO C[n+]1c(/C=C/C=C2c3ccccc3Oc3ccccc32)sc2ccccc21 ZINC000685944433 571104526 /nfs/dbraw/zinc/10/45/26/571104526.db2.gz LIACYJQMOSFICH-LZYBPNLTSA-N 1 0 368.481 5.977 50 0 FKAARO C/C(c1cc2c([nH]1)-c1ccccc1CC2)=C1\C=C2CCc3ccccc3C2=[NH+]1 ZINC000685944547 571104642 /nfs/dbraw/zinc/10/46/42/571104642.db2.gz LSZYMHUQKRQZPS-JLPGSUDCSA-N 1 0 362.476 5.887 50 0 FKAARO